USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 17 THR OG1 : rot 40:sc= 0.0515 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -104:sc= 0.358 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 149:sc= -0.804 (180deg=-1.94!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -74:sc= 1.23 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.147 (180deg=-0.373) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 28:sc= 1.21 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= -0.0566 (180deg=-2.2!) USER MOD Single : A 49 GLN : amide:sc= -0.0856 K(o=-0.086,f=-1.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 1.152 4.587 -2.858 1.00 60.31 N ATOM 29 CA THR A 3 1.441 6.014 -2.912 1.00 55.21 C ATOM 30 C THR A 3 1.005 6.613 -4.245 1.00 5.13 C ATOM 31 O THR A 3 1.059 5.951 -5.281 1.00 43.14 O ATOM 32 CB THR A 3 2.941 6.292 -2.703 1.00 0.43 C ATOM 33 OG1 THR A 3 3.230 7.664 -2.994 1.00 43.20 O ATOM 34 CG2 THR A 3 3.787 5.391 -3.589 1.00 3.11 C ATOM 0 HA THR A 3 0.877 6.481 -2.105 1.00 55.21 H new ATOM 0 HB THR A 3 3.185 6.083 -1.661 1.00 0.43 H new ATOM 0 HG1 THR A 3 2.857 8.233 -2.289 1.00 43.20 H new ATOM 0 HG21 THR A 3 4.843 5.606 -3.424 1.00 3.11 H new ATOM 0 HG22 THR A 3 3.586 4.348 -3.344 1.00 3.11 H new ATOM 0 HG23 THR A 3 3.539 5.573 -4.635 1.00 3.11 H new ATOM 42 N PHE A 4 0.575 7.870 -4.211 1.00 31.12 N ATOM 43 CA PHE A 4 0.130 8.558 -5.417 1.00 0.31 C ATOM 44 C PHE A 4 0.678 9.981 -5.464 1.00 45.45 C ATOM 45 O PHE A 4 0.388 10.798 -4.591 1.00 40.41 O ATOM 46 CB PHE A 4 -1.399 8.586 -5.479 1.00 45.43 C ATOM 47 CG PHE A 4 -1.936 9.124 -6.775 1.00 1.13 C ATOM 48 CD1 PHE A 4 -2.148 8.282 -7.855 1.00 1.34 C ATOM 49 CD2 PHE A 4 -2.229 10.471 -6.912 1.00 54.23 C ATOM 50 CE1 PHE A 4 -2.641 8.775 -9.048 1.00 35.21 C ATOM 51 CE2 PHE A 4 -2.724 10.969 -8.103 1.00 43.42 C ATOM 52 CZ PHE A 4 -2.931 10.120 -9.172 1.00 21.30 C ATOM 0 H PHE A 4 0.525 8.433 -3.362 1.00 31.12 H new ATOM 0 HA PHE A 4 0.512 8.011 -6.279 1.00 0.31 H new ATOM 0 HB2 PHE A 4 -1.779 7.576 -5.329 1.00 45.43 H new ATOM 0 HB3 PHE A 4 -1.777 9.195 -4.658 1.00 45.43 H new ATOM 0 HD1 PHE A 4 -1.926 7.229 -7.763 1.00 1.34 H new ATOM 0 HD2 PHE A 4 -2.069 11.140 -6.079 1.00 54.23 H new ATOM 0 HE1 PHE A 4 -2.800 8.109 -9.883 1.00 35.21 H new ATOM 0 HE2 PHE A 4 -2.949 12.021 -8.197 1.00 43.42 H new ATOM 0 HZ PHE A 4 -3.319 10.507 -10.103 1.00 21.30 H new ATOM 62 N GLN A 5 1.473 10.269 -6.490 1.00 40.04 N ATOM 63 CA GLN A 5 2.063 11.593 -6.651 1.00 63.43 C ATOM 64 C GLN A 5 1.614 12.233 -7.960 1.00 43.43 C ATOM 65 O GLN A 5 1.643 11.600 -9.016 1.00 41.54 O ATOM 66 CB GLN A 5 3.590 11.502 -6.611 1.00 73.33 C ATOM 67 CG GLN A 5 4.287 12.798 -6.991 1.00 55.31 C ATOM 68 CD GLN A 5 5.041 12.693 -8.302 1.00 13.31 C ATOM 69 OE1 GLN A 5 4.657 13.299 -9.303 1.00 15.23 O ATOM 70 NE2 GLN A 5 6.121 11.922 -8.303 1.00 64.33 N ATOM 0 H GLN A 5 1.723 9.604 -7.222 1.00 40.04 H new ATOM 0 HA GLN A 5 1.722 12.218 -5.826 1.00 63.43 H new ATOM 0 HB2 GLN A 5 3.902 11.212 -5.608 1.00 73.33 H new ATOM 0 HB3 GLN A 5 3.916 10.712 -7.287 1.00 73.33 H new ATOM 0 HG2 GLN A 5 3.548 13.596 -7.064 1.00 55.31 H new ATOM 0 HG3 GLN A 5 4.981 13.079 -6.199 1.00 55.31 H new ATOM 0 HE21 GLN A 5 6.403 11.438 -7.451 1.00 64.33 H new ATOM 0 HE22 GLN A 5 6.669 11.813 -9.156 1.00 64.33 H new ATOM 79 N THR A 6 1.199 13.494 -7.885 1.00 34.04 N ATOM 80 CA THR A 6 0.742 14.220 -9.063 1.00 11.33 C ATOM 81 C THR A 6 1.217 15.668 -9.034 1.00 40.42 C ATOM 82 O THR A 6 0.941 16.404 -8.086 1.00 60.32 O ATOM 83 CB THR A 6 -0.794 14.198 -9.176 1.00 31.01 C ATOM 84 OG1 THR A 6 -1.213 14.964 -10.311 1.00 1.21 O ATOM 85 CG2 THR A 6 -1.438 14.756 -7.916 1.00 22.04 C ATOM 0 H THR A 6 1.170 14.034 -7.020 1.00 34.04 H new ATOM 0 HA THR A 6 1.170 13.717 -9.930 1.00 11.33 H new ATOM 0 HB THR A 6 -1.112 13.163 -9.299 1.00 31.01 H new ATOM 0 HG1 THR A 6 -1.566 15.827 -10.011 1.00 1.21 H new ATOM 0 HG21 THR A 6 -2.523 14.730 -8.020 1.00 22.04 H new ATOM 0 HG22 THR A 6 -1.141 14.153 -7.058 1.00 22.04 H new ATOM 0 HG23 THR A 6 -1.112 15.785 -7.766 1.00 22.04 H new ATOM 93 N ASP A 7 1.932 16.072 -10.079 1.00 12.13 N ATOM 94 CA ASP A 7 2.444 17.434 -10.174 1.00 40.21 C ATOM 95 C ASP A 7 1.497 18.316 -10.982 1.00 72.41 C ATOM 96 O ASP A 7 1.930 19.093 -11.833 1.00 31.45 O ATOM 97 CB ASP A 7 3.833 17.436 -10.814 1.00 70.34 C ATOM 98 CG ASP A 7 3.801 17.008 -12.269 1.00 14.04 C ATOM 99 OD1 ASP A 7 2.764 16.466 -12.705 1.00 34.51 O ATOM 100 OD2 ASP A 7 4.812 17.217 -12.971 1.00 31.45 O ATOM 0 H ASP A 7 2.170 15.476 -10.872 1.00 12.13 H new ATOM 0 HA ASP A 7 2.517 17.839 -9.165 1.00 40.21 H new ATOM 0 HB2 ASP A 7 4.262 18.436 -10.742 1.00 70.34 H new ATOM 0 HB3 ASP A 7 4.488 16.767 -10.256 1.00 70.34 H new ATOM 105 N ALA A 8 0.202 18.188 -10.711 1.00 0.21 N ATOM 106 CA ALA A 8 -0.806 18.974 -11.412 1.00 32.42 C ATOM 107 C ALA A 8 -2.204 18.668 -10.885 1.00 32.10 C ATOM 108 O ALA A 8 -2.396 17.725 -10.117 1.00 71.10 O ATOM 109 CB ALA A 8 -0.735 18.709 -12.908 1.00 44.45 C ATOM 0 H ALA A 8 -0.173 17.548 -10.011 1.00 0.21 H new ATOM 0 HA ALA A 8 -0.600 20.029 -11.231 1.00 32.42 H new ATOM 0 HB1 ALA A 8 -1.493 19.302 -13.419 1.00 44.45 H new ATOM 0 HB2 ALA A 8 0.252 18.984 -13.280 1.00 44.45 H new ATOM 0 HB3 ALA A 8 -0.913 17.651 -13.099 1.00 44.45 H new ATOM 115 N ASP A 9 -3.177 19.471 -11.302 1.00 20.23 N ATOM 116 CA ASP A 9 -4.558 19.286 -10.872 1.00 31.41 C ATOM 117 C ASP A 9 -5.009 17.846 -11.098 1.00 31.13 C ATOM 118 O ASP A 9 -4.452 17.133 -11.933 1.00 4.43 O ATOM 119 CB ASP A 9 -5.482 20.246 -11.623 1.00 4.21 C ATOM 120 CG ASP A 9 -5.309 20.159 -13.126 1.00 64.35 C ATOM 121 OD1 ASP A 9 -5.199 19.029 -13.646 1.00 35.41 O ATOM 122 OD2 ASP A 9 -5.282 21.221 -13.784 1.00 24.43 O ATOM 0 H ASP A 9 -3.035 20.256 -11.937 1.00 20.23 H new ATOM 0 HA ASP A 9 -4.612 19.502 -9.805 1.00 31.41 H new ATOM 0 HB2 ASP A 9 -6.518 20.024 -11.366 1.00 4.21 H new ATOM 0 HB3 ASP A 9 -5.284 21.267 -11.296 1.00 4.21 H new ATOM 127 N PHE A 10 -6.021 17.424 -10.347 1.00 73.32 N ATOM 128 CA PHE A 10 -6.546 16.068 -10.464 1.00 10.23 C ATOM 129 C PHE A 10 -8.041 16.036 -10.159 1.00 61.45 C ATOM 130 O PHE A 10 -8.571 16.930 -9.499 1.00 34.33 O ATOM 131 CB PHE A 10 -5.801 15.127 -9.516 1.00 25.34 C ATOM 132 CG PHE A 10 -5.635 15.680 -8.129 1.00 33.31 C ATOM 133 CD1 PHE A 10 -6.666 15.593 -7.207 1.00 50.51 C ATOM 134 CD2 PHE A 10 -4.449 16.286 -7.748 1.00 14.35 C ATOM 135 CE1 PHE A 10 -6.517 16.101 -5.930 1.00 52.00 C ATOM 136 CE2 PHE A 10 -4.295 16.795 -6.472 1.00 4.21 C ATOM 137 CZ PHE A 10 -5.330 16.704 -5.562 1.00 72.45 C ATOM 0 H PHE A 10 -6.494 18.001 -9.651 1.00 73.32 H new ATOM 0 HA PHE A 10 -6.395 15.733 -11.490 1.00 10.23 H new ATOM 0 HB2 PHE A 10 -6.339 14.181 -9.459 1.00 25.34 H new ATOM 0 HB3 PHE A 10 -4.817 14.910 -9.932 1.00 25.34 H new ATOM 0 HD1 PHE A 10 -7.596 15.123 -7.489 1.00 50.51 H new ATOM 0 HD2 PHE A 10 -3.636 16.362 -8.455 1.00 14.35 H new ATOM 0 HE1 PHE A 10 -7.328 16.026 -5.221 1.00 52.00 H new ATOM 0 HE2 PHE A 10 -3.365 17.264 -6.187 1.00 4.21 H new ATOM 0 HZ PHE A 10 -5.212 17.103 -4.565 1.00 72.45 H new ATOM 147 N LEU A 11 -8.715 15.000 -10.646 1.00 71.33 N ATOM 148 CA LEU A 11 -10.150 14.849 -10.428 1.00 4.42 C ATOM 149 C LEU A 11 -10.430 13.814 -9.343 1.00 44.21 C ATOM 150 O LEU A 11 -9.716 12.817 -9.222 1.00 51.31 O ATOM 151 CB LEU A 11 -10.844 14.442 -11.729 1.00 3.34 C ATOM 152 CG LEU A 11 -11.108 15.568 -12.729 1.00 53.00 C ATOM 153 CD1 LEU A 11 -11.307 15.004 -14.127 1.00 73.12 C ATOM 154 CD2 LEU A 11 -12.320 16.385 -12.304 1.00 42.22 C ATOM 0 H LEU A 11 -8.291 14.252 -11.195 1.00 71.33 H new ATOM 0 HA LEU A 11 -10.545 15.810 -10.098 1.00 4.42 H new ATOM 0 HB2 LEU A 11 -10.235 13.682 -12.220 1.00 3.34 H new ATOM 0 HB3 LEU A 11 -11.796 13.975 -11.479 1.00 3.34 H new ATOM 0 HG LEU A 11 -10.239 16.225 -12.745 1.00 53.00 H new ATOM 0 HD11 LEU A 11 -11.494 15.820 -14.825 1.00 73.12 H new ATOM 0 HD12 LEU A 11 -10.411 14.463 -14.432 1.00 73.12 H new ATOM 0 HD13 LEU A 11 -12.159 14.324 -14.127 1.00 73.12 H new ATOM 0 HD21 LEU A 11 -12.493 17.182 -13.027 1.00 42.22 H new ATOM 0 HD22 LEU A 11 -13.197 15.739 -12.259 1.00 42.22 H new ATOM 0 HD23 LEU A 11 -12.139 16.820 -11.321 1.00 42.22 H new ATOM 166 N LEU A 12 -11.473 14.056 -8.558 1.00 33.44 N ATOM 167 CA LEU A 12 -11.850 13.143 -7.484 1.00 21.04 C ATOM 168 C LEU A 12 -13.294 12.679 -7.645 1.00 21.13 C ATOM 169 O LEU A 12 -14.177 13.468 -7.982 1.00 22.12 O ATOM 170 CB LEU A 12 -11.669 13.821 -6.124 1.00 43.14 C ATOM 171 CG LEU A 12 -10.360 13.521 -5.394 1.00 25.13 C ATOM 172 CD1 LEU A 12 -9.711 14.808 -4.910 1.00 1.52 C ATOM 173 CD2 LEU A 12 -10.604 12.574 -4.228 1.00 34.01 C ATOM 0 H LEU A 12 -12.073 14.876 -8.644 1.00 33.44 H new ATOM 0 HA LEU A 12 -11.199 12.270 -7.538 1.00 21.04 H new ATOM 0 HB2 LEU A 12 -11.744 14.899 -6.265 1.00 43.14 H new ATOM 0 HB3 LEU A 12 -12.497 13.525 -5.480 1.00 43.14 H new ATOM 0 HG LEU A 12 -9.680 13.036 -6.094 1.00 25.13 H new ATOM 0 HD11 LEU A 12 -8.780 14.574 -4.393 1.00 1.52 H new ATOM 0 HD12 LEU A 12 -9.500 15.452 -5.763 1.00 1.52 H new ATOM 0 HD13 LEU A 12 -10.387 15.322 -4.226 1.00 1.52 H new ATOM 0 HD21 LEU A 12 -9.661 12.372 -3.720 1.00 34.01 H new ATOM 0 HD22 LEU A 12 -11.303 13.032 -3.528 1.00 34.01 H new ATOM 0 HD23 LEU A 12 -11.023 11.639 -4.600 1.00 34.01 H new ATOM 185 N VAL A 13 -13.528 11.394 -7.399 1.00 60.54 N ATOM 186 CA VAL A 13 -14.865 10.825 -7.514 1.00 35.41 C ATOM 187 C VAL A 13 -15.284 10.140 -6.218 1.00 14.25 C ATOM 188 O VAL A 13 -14.588 9.259 -5.715 1.00 51.13 O ATOM 189 CB VAL A 13 -14.946 9.807 -8.668 1.00 2.43 C ATOM 190 CG1 VAL A 13 -16.332 9.184 -8.735 1.00 3.13 C ATOM 191 CG2 VAL A 13 -14.586 10.471 -9.988 1.00 53.04 C ATOM 0 H VAL A 13 -12.809 10.727 -7.119 1.00 60.54 H new ATOM 0 HA VAL A 13 -15.543 11.653 -7.721 1.00 35.41 H new ATOM 0 HB VAL A 13 -14.226 9.011 -8.479 1.00 2.43 H new ATOM 0 HG11 VAL A 13 -16.370 8.468 -9.556 1.00 3.13 H new ATOM 0 HG12 VAL A 13 -16.547 8.672 -7.797 1.00 3.13 H new ATOM 0 HG13 VAL A 13 -17.074 9.965 -8.900 1.00 3.13 H new ATOM 0 HG21 VAL A 13 -14.648 9.738 -10.793 1.00 53.04 H new ATOM 0 HG22 VAL A 13 -15.281 11.287 -10.186 1.00 53.04 H new ATOM 0 HG23 VAL A 13 -13.571 10.864 -9.933 1.00 53.04 H new ATOM 201 N GLY A 14 -16.429 10.552 -5.680 1.00 43.20 N ATOM 202 CA GLY A 14 -16.922 9.968 -4.446 1.00 64.04 C ATOM 203 C GLY A 14 -18.417 10.147 -4.277 1.00 12.40 C ATOM 204 O GLY A 14 -19.174 10.052 -5.243 1.00 50.13 O ATOM 0 H GLY A 14 -17.023 11.280 -6.077 1.00 43.20 H new ATOM 0 HA2 GLY A 14 -16.682 8.905 -4.430 1.00 64.04 H new ATOM 0 HA3 GLY A 14 -16.407 10.424 -3.601 1.00 64.04 H new ATOM 208 N ASP A 15 -18.845 10.406 -3.046 1.00 45.01 N ATOM 209 CA ASP A 15 -20.260 10.598 -2.753 1.00 10.52 C ATOM 210 C ASP A 15 -20.600 12.083 -2.665 1.00 41.11 C ATOM 211 O ASP A 15 -21.590 12.468 -2.042 1.00 63.32 O ATOM 212 CB ASP A 15 -20.631 9.899 -1.444 1.00 53.41 C ATOM 213 CG ASP A 15 -22.103 9.540 -1.377 1.00 4.33 C ATOM 214 OD1 ASP A 15 -22.537 8.669 -2.159 1.00 42.51 O ATOM 215 OD2 ASP A 15 -22.820 10.131 -0.542 1.00 72.21 O ATOM 0 H ASP A 15 -18.232 10.488 -2.235 1.00 45.01 H new ATOM 0 HA ASP A 15 -20.837 10.159 -3.567 1.00 10.52 H new ATOM 0 HB2 ASP A 15 -20.034 8.993 -1.337 1.00 53.41 H new ATOM 0 HB3 ASP A 15 -20.380 10.548 -0.605 1.00 53.41 H new ATOM 220 N ASP A 16 -19.772 12.912 -3.292 1.00 14.13 N ATOM 221 CA ASP A 16 -19.985 14.355 -3.285 1.00 21.24 C ATOM 222 C ASP A 16 -20.173 14.869 -1.861 1.00 0.31 C ATOM 223 O ASP A 16 -21.178 15.508 -1.547 1.00 72.20 O ATOM 224 CB ASP A 16 -21.203 14.717 -4.136 1.00 20.50 C ATOM 225 CG ASP A 16 -21.361 16.214 -4.314 1.00 63.22 C ATOM 226 OD1 ASP A 16 -20.586 16.970 -3.692 1.00 20.21 O ATOM 227 OD2 ASP A 16 -22.260 16.630 -5.075 1.00 65.44 O ATOM 0 H ASP A 16 -18.948 12.610 -3.811 1.00 14.13 H new ATOM 0 HA ASP A 16 -19.101 14.830 -3.710 1.00 21.24 H new ATOM 0 HB2 ASP A 16 -21.112 14.245 -5.114 1.00 20.50 H new ATOM 0 HB3 ASP A 16 -22.101 14.313 -3.670 1.00 20.50 H new ATOM 232 N THR A 17 -19.199 14.586 -1.001 1.00 51.42 N ATOM 233 CA THR A 17 -19.258 15.018 0.390 1.00 41.25 C ATOM 234 C THR A 17 -18.793 16.462 0.537 1.00 2.30 C ATOM 235 O THR A 17 -17.841 16.888 -0.117 1.00 71.15 O ATOM 236 CB THR A 17 -18.395 14.118 1.294 1.00 14.02 C ATOM 237 OG1 THR A 17 -17.205 13.725 0.602 1.00 3.44 O ATOM 238 CG2 THR A 17 -19.170 12.881 1.723 1.00 1.13 C ATOM 0 H THR A 17 -18.360 14.059 -1.244 1.00 51.42 H new ATOM 0 HA THR A 17 -20.300 14.941 0.701 1.00 41.25 H new ATOM 0 HB THR A 17 -18.126 14.686 2.184 1.00 14.02 H new ATOM 0 HG1 THR A 17 -16.864 14.482 0.081 1.00 3.44 H new ATOM 0 HG21 THR A 17 -18.541 12.260 2.361 1.00 1.13 H new ATOM 0 HG22 THR A 17 -20.060 13.183 2.275 1.00 1.13 H new ATOM 0 HG23 THR A 17 -19.465 12.313 0.841 1.00 1.13 H new ATOM 246 N SER A 18 -19.470 17.212 1.401 1.00 24.23 N ATOM 247 CA SER A 18 -19.127 18.610 1.632 1.00 11.34 C ATOM 248 C SER A 18 -17.756 18.732 2.290 1.00 43.24 C ATOM 249 O SER A 18 -17.148 19.803 2.290 1.00 15.21 O ATOM 250 CB SER A 18 -20.187 19.279 2.510 1.00 31.42 C ATOM 251 OG SER A 18 -19.662 20.422 3.163 1.00 70.33 O ATOM 0 H SER A 18 -20.259 16.875 1.952 1.00 24.23 H new ATOM 0 HA SER A 18 -19.094 19.114 0.666 1.00 11.34 H new ATOM 0 HB2 SER A 18 -21.042 19.567 1.898 1.00 31.42 H new ATOM 0 HB3 SER A 18 -20.551 18.568 3.252 1.00 31.42 H new ATOM 0 HG SER A 18 -20.359 20.832 3.716 1.00 70.33 H new ATOM 257 N ARG A 19 -17.274 17.627 2.848 1.00 20.25 N ATOM 258 CA ARG A 19 -15.975 17.609 3.511 1.00 72.15 C ATOM 259 C ARG A 19 -14.845 17.545 2.488 1.00 65.42 C ATOM 260 O ARG A 19 -13.667 17.560 2.847 1.00 30.43 O ATOM 261 CB ARG A 19 -15.882 16.417 4.465 1.00 1.33 C ATOM 262 CG ARG A 19 -14.736 16.521 5.459 1.00 53.03 C ATOM 263 CD ARG A 19 -15.227 16.952 6.832 1.00 31.21 C ATOM 264 NE ARG A 19 -14.153 17.517 7.645 1.00 72.14 N ATOM 265 CZ ARG A 19 -13.232 16.783 8.259 1.00 72.21 C ATOM 266 NH1 ARG A 19 -13.254 15.461 8.153 1.00 0.40 N ATOM 267 NH2 ARG A 19 -12.286 17.371 8.981 1.00 74.54 N ATOM 0 H ARG A 19 -17.763 16.732 2.855 1.00 20.25 H new ATOM 0 HA ARG A 19 -15.873 18.531 4.083 1.00 72.15 H new ATOM 0 HB2 ARG A 19 -16.820 16.327 5.013 1.00 1.33 H new ATOM 0 HB3 ARG A 19 -15.764 15.504 3.882 1.00 1.33 H new ATOM 0 HG2 ARG A 19 -14.232 15.558 5.537 1.00 53.03 H new ATOM 0 HG3 ARG A 19 -14.000 17.237 5.093 1.00 53.03 H new ATOM 0 HD2 ARG A 19 -16.021 17.689 6.718 1.00 31.21 H new ATOM 0 HD3 ARG A 19 -15.660 16.095 7.348 1.00 31.21 H new ATOM 0 HE ARG A 19 -14.108 18.531 7.747 1.00 72.14 H new ATOM 0 HH11 ARG A 19 -13.979 15.006 7.599 1.00 0.40 H new ATOM 0 HH12 ARG A 19 -12.545 14.900 8.626 1.00 0.40 H new ATOM 0 HH21 ARG A 19 -12.266 18.387 9.065 1.00 74.54 H new ATOM 0 HH22 ARG A 19 -11.579 16.806 9.452 1.00 74.54 H new ATOM 281 N TYR A 20 -15.211 17.472 1.213 1.00 45.50 N ATOM 282 CA TYR A 20 -14.228 17.403 0.138 1.00 25.23 C ATOM 283 C TYR A 20 -13.262 18.582 0.206 1.00 51.22 C ATOM 284 O TYR A 20 -12.083 18.452 -0.122 1.00 54.34 O ATOM 285 CB TYR A 20 -14.928 17.380 -1.221 1.00 70.22 C ATOM 286 CG TYR A 20 -15.427 18.735 -1.668 1.00 43.35 C ATOM 287 CD1 TYR A 20 -16.418 19.401 -0.959 1.00 12.35 C ATOM 288 CD2 TYR A 20 -14.907 19.350 -2.801 1.00 73.32 C ATOM 289 CE1 TYR A 20 -16.878 20.640 -1.364 1.00 24.44 C ATOM 290 CE2 TYR A 20 -15.359 20.588 -3.213 1.00 14.32 C ATOM 291 CZ TYR A 20 -16.345 21.229 -2.491 1.00 43.20 C ATOM 292 OH TYR A 20 -16.799 22.463 -2.899 1.00 22.44 O ATOM 0 H TYR A 20 -16.181 17.459 0.899 1.00 45.50 H new ATOM 0 HA TYR A 20 -13.658 16.482 0.261 1.00 25.23 H new ATOM 0 HB2 TYR A 20 -14.237 16.991 -1.969 1.00 70.22 H new ATOM 0 HB3 TYR A 20 -15.770 16.689 -1.175 1.00 70.22 H new ATOM 0 HD1 TYR A 20 -16.837 18.943 -0.075 1.00 12.35 H new ATOM 0 HD2 TYR A 20 -14.136 18.851 -3.369 1.00 73.32 H new ATOM 0 HE1 TYR A 20 -17.650 21.144 -0.801 1.00 24.44 H new ATOM 0 HE2 TYR A 20 -14.943 21.052 -4.095 1.00 14.32 H new ATOM 0 HH TYR A 20 -16.320 22.737 -3.709 1.00 22.44 H new ATOM 302 N GLU A 21 -13.772 19.732 0.634 1.00 14.55 N ATOM 303 CA GLU A 21 -12.956 20.936 0.745 1.00 21.51 C ATOM 304 C GLU A 21 -11.953 20.809 1.889 1.00 53.34 C ATOM 305 O GLU A 21 -10.775 21.127 1.732 1.00 51.41 O ATOM 306 CB GLU A 21 -13.843 22.163 0.963 1.00 33.34 C ATOM 307 CG GLU A 21 -14.745 22.053 2.181 1.00 34.31 C ATOM 308 CD GLU A 21 -15.987 22.916 2.067 1.00 31.50 C ATOM 309 OE1 GLU A 21 -16.708 22.788 1.055 1.00 1.34 O ATOM 310 OE2 GLU A 21 -16.238 23.718 2.991 1.00 41.25 O ATOM 0 H GLU A 21 -14.746 19.856 0.910 1.00 14.55 H new ATOM 0 HA GLU A 21 -12.405 21.058 -0.187 1.00 21.51 H new ATOM 0 HB2 GLU A 21 -13.210 23.044 1.068 1.00 33.34 H new ATOM 0 HB3 GLU A 21 -14.460 22.317 0.077 1.00 33.34 H new ATOM 0 HG2 GLU A 21 -15.041 21.013 2.316 1.00 34.31 H new ATOM 0 HG3 GLU A 21 -14.186 22.344 3.070 1.00 34.31 H new ATOM 317 N GLU A 22 -12.431 20.343 3.038 1.00 13.53 N ATOM 318 CA GLU A 22 -11.577 20.177 4.208 1.00 33.24 C ATOM 319 C GLU A 22 -10.539 19.083 3.973 1.00 14.10 C ATOM 320 O GLU A 22 -9.368 19.238 4.320 1.00 52.15 O ATOM 321 CB GLU A 22 -12.421 19.838 5.439 1.00 1.11 C ATOM 322 CG GLU A 22 -11.619 19.776 6.728 1.00 13.54 C ATOM 323 CD GLU A 22 -10.611 20.904 6.843 1.00 34.51 C ATOM 324 OE1 GLU A 22 -11.012 22.076 6.683 1.00 32.44 O ATOM 325 OE2 GLU A 22 -9.423 20.614 7.092 1.00 5.11 O ATOM 0 H GLU A 22 -13.404 20.074 3.184 1.00 13.53 H new ATOM 0 HA GLU A 22 -11.055 21.118 4.382 1.00 33.24 H new ATOM 0 HB2 GLU A 22 -13.208 20.584 5.546 1.00 1.11 H new ATOM 0 HB3 GLU A 22 -12.912 18.878 5.280 1.00 1.11 H new ATOM 0 HG2 GLU A 22 -12.301 19.815 7.578 1.00 13.54 H new ATOM 0 HG3 GLU A 22 -11.097 18.821 6.781 1.00 13.54 H new ATOM 332 N VAL A 23 -10.978 17.976 3.382 1.00 51.42 N ATOM 333 CA VAL A 23 -10.088 16.856 3.099 1.00 14.41 C ATOM 334 C VAL A 23 -8.918 17.292 2.224 1.00 31.54 C ATOM 335 O VAL A 23 -7.769 16.937 2.486 1.00 31.30 O ATOM 336 CB VAL A 23 -10.838 15.707 2.400 1.00 20.31 C ATOM 337 CG1 VAL A 23 -9.886 14.563 2.084 1.00 35.22 C ATOM 338 CG2 VAL A 23 -11.996 15.225 3.261 1.00 53.43 C ATOM 0 H VAL A 23 -11.944 17.831 3.090 1.00 51.42 H new ATOM 0 HA VAL A 23 -9.709 16.502 4.058 1.00 14.41 H new ATOM 0 HB VAL A 23 -11.245 16.080 1.460 1.00 20.31 H new ATOM 0 HG11 VAL A 23 -10.433 13.760 1.590 1.00 35.22 H new ATOM 0 HG12 VAL A 23 -9.094 14.920 1.426 1.00 35.22 H new ATOM 0 HG13 VAL A 23 -9.448 14.188 3.009 1.00 35.22 H new ATOM 0 HG21 VAL A 23 -12.515 14.413 2.752 1.00 53.43 H new ATOM 0 HG22 VAL A 23 -11.614 14.868 4.218 1.00 53.43 H new ATOM 0 HG23 VAL A 23 -12.690 16.048 3.432 1.00 53.43 H new ATOM 348 N MET A 24 -9.218 18.063 1.185 1.00 73.14 N ATOM 349 CA MET A 24 -8.190 18.548 0.272 1.00 50.34 C ATOM 350 C MET A 24 -7.359 19.649 0.924 1.00 31.41 C ATOM 351 O MET A 24 -6.156 19.756 0.686 1.00 22.24 O ATOM 352 CB MET A 24 -8.828 19.071 -1.017 1.00 64.12 C ATOM 353 CG MET A 24 -9.010 18.002 -2.082 1.00 62.41 C ATOM 354 SD MET A 24 -7.454 17.521 -2.857 1.00 53.22 S ATOM 355 CE MET A 24 -7.090 16.006 -1.974 1.00 43.12 C ATOM 0 H MET A 24 -10.164 18.366 0.954 1.00 73.14 H new ATOM 0 HA MET A 24 -7.531 17.714 0.031 1.00 50.34 H new ATOM 0 HB2 MET A 24 -9.799 19.507 -0.781 1.00 64.12 H new ATOM 0 HB3 MET A 24 -8.209 19.872 -1.420 1.00 64.12 H new ATOM 0 HG2 MET A 24 -9.475 17.124 -1.634 1.00 62.41 H new ATOM 0 HG3 MET A 24 -9.694 18.370 -2.847 1.00 62.41 H new ATOM 0 HE1 MET A 24 -6.543 15.326 -2.628 1.00 43.12 H new ATOM 0 HE2 MET A 24 -6.483 16.233 -1.097 1.00 43.12 H new ATOM 0 HE3 MET A 24 -8.021 15.536 -1.659 1.00 43.12 H new ATOM 365 N LYS A 25 -8.008 20.465 1.747 1.00 33.33 N ATOM 366 CA LYS A 25 -7.330 21.557 2.435 1.00 20.34 C ATOM 367 C LYS A 25 -6.176 21.032 3.283 1.00 23.13 C ATOM 368 O LYS A 25 -5.236 21.765 3.595 1.00 55.01 O ATOM 369 CB LYS A 25 -8.318 22.323 3.318 1.00 60.30 C ATOM 370 CG LYS A 25 -8.574 23.745 2.852 1.00 42.45 C ATOM 371 CD LYS A 25 -9.084 23.780 1.421 1.00 71.13 C ATOM 372 CE LYS A 25 -9.253 25.207 0.924 1.00 52.35 C ATOM 373 NZ LYS A 25 -10.526 25.814 1.402 1.00 54.04 N ATOM 0 H LYS A 25 -9.004 20.391 1.954 1.00 33.33 H new ATOM 0 HA LYS A 25 -6.926 22.233 1.681 1.00 20.34 H new ATOM 0 HB2 LYS A 25 -9.264 21.782 3.344 1.00 60.30 H new ATOM 0 HB3 LYS A 25 -7.937 22.347 4.339 1.00 60.30 H new ATOM 0 HG2 LYS A 25 -9.302 24.219 3.510 1.00 42.45 H new ATOM 0 HG3 LYS A 25 -7.653 24.324 2.925 1.00 42.45 H new ATOM 0 HD2 LYS A 25 -8.388 23.248 0.773 1.00 71.13 H new ATOM 0 HD3 LYS A 25 -10.039 23.257 1.361 1.00 71.13 H new ATOM 0 HE2 LYS A 25 -8.412 25.812 1.264 1.00 52.35 H new ATOM 0 HE3 LYS A 25 -9.233 25.217 -0.166 1.00 52.35 H new ATOM 0 HZ1 LYS A 25 -10.604 26.787 1.042 1.00 54.04 H new ATOM 0 HZ2 LYS A 25 -11.330 25.252 1.057 1.00 54.04 H new ATOM 0 HZ3 LYS A 25 -10.535 25.828 2.442 1.00 54.04 H new ATOM 387 N THR A 26 -6.251 19.757 3.653 1.00 1.13 N ATOM 388 CA THR A 26 -5.213 19.134 4.465 1.00 44.34 C ATOM 389 C THR A 26 -3.833 19.353 3.854 1.00 21.14 C ATOM 390 O THR A 26 -2.829 19.402 4.566 1.00 52.03 O ATOM 391 CB THR A 26 -5.457 17.622 4.625 1.00 23.11 C ATOM 392 OG1 THR A 26 -5.340 16.969 3.356 1.00 51.42 O ATOM 393 CG2 THR A 26 -6.834 17.355 5.213 1.00 11.52 C ATOM 0 H THR A 26 -7.020 19.136 3.403 1.00 1.13 H new ATOM 0 HA THR A 26 -5.253 19.606 5.447 1.00 44.34 H new ATOM 0 HB THR A 26 -4.705 17.226 5.307 1.00 23.11 H new ATOM 0 HG1 THR A 26 -6.131 17.167 2.812 1.00 51.42 H new ATOM 0 HG21 THR A 26 -6.983 16.280 5.317 1.00 11.52 H new ATOM 0 HG22 THR A 26 -6.909 17.828 6.192 1.00 11.52 H new ATOM 0 HG23 THR A 26 -7.598 17.765 4.552 1.00 11.52 H new ATOM 401 N PHE A 27 -3.790 19.484 2.533 1.00 44.33 N ATOM 402 CA PHE A 27 -2.532 19.698 1.826 1.00 22.34 C ATOM 403 C PHE A 27 -2.467 21.107 1.245 1.00 61.11 C ATOM 404 O PHE A 27 -3.310 21.496 0.437 1.00 53.11 O ATOM 405 CB PHE A 27 -2.368 18.665 0.709 1.00 30.15 C ATOM 406 CG PHE A 27 -1.205 17.737 0.917 1.00 50.24 C ATOM 407 CD1 PHE A 27 -1.152 16.908 2.025 1.00 11.14 C ATOM 408 CD2 PHE A 27 -0.164 17.695 0.003 1.00 74.23 C ATOM 409 CE1 PHE A 27 -0.084 16.053 2.219 1.00 65.11 C ATOM 410 CE2 PHE A 27 0.906 16.842 0.191 1.00 64.54 C ATOM 411 CZ PHE A 27 0.948 16.021 1.301 1.00 74.54 C ATOM 0 H PHE A 27 -4.612 19.446 1.930 1.00 44.33 H new ATOM 0 HA PHE A 27 -1.718 19.582 2.541 1.00 22.34 H new ATOM 0 HB2 PHE A 27 -3.283 18.077 0.632 1.00 30.15 H new ATOM 0 HB3 PHE A 27 -2.242 19.185 -0.241 1.00 30.15 H new ATOM 0 HD1 PHE A 27 -1.955 16.930 2.746 1.00 11.14 H new ATOM 0 HD2 PHE A 27 -0.190 18.336 -0.866 1.00 74.23 H new ATOM 0 HE1 PHE A 27 -0.056 15.411 3.087 1.00 65.11 H new ATOM 0 HE2 PHE A 27 1.710 16.817 -0.530 1.00 64.54 H new ATOM 0 HZ PHE A 27 1.785 15.356 1.451 1.00 74.54 H new ATOM 421 N ASP A 28 -1.460 21.867 1.662 1.00 33.33 N ATOM 422 CA ASP A 28 -1.284 23.233 1.183 1.00 22.25 C ATOM 423 C ASP A 28 -1.219 23.270 -0.340 1.00 42.42 C ATOM 424 O ASP A 28 -1.554 24.279 -0.963 1.00 23.14 O ATOM 425 CB ASP A 28 -0.013 23.843 1.776 1.00 44.32 C ATOM 426 CG ASP A 28 -0.209 24.319 3.202 1.00 50.13 C ATOM 427 OD1 ASP A 28 -0.636 25.478 3.387 1.00 72.35 O ATOM 428 OD2 ASP A 28 0.065 23.533 4.133 1.00 43.20 O ATOM 0 H ASP A 28 -0.753 21.560 2.331 1.00 33.33 H new ATOM 0 HA ASP A 28 -2.144 23.820 1.506 1.00 22.25 H new ATOM 0 HB2 ASP A 28 0.788 23.104 1.750 1.00 44.32 H new ATOM 0 HB3 ASP A 28 0.307 24.681 1.157 1.00 44.32 H new ATOM 433 N THR A 29 -0.784 22.164 -0.937 1.00 12.45 N ATOM 434 CA THR A 29 -0.673 22.071 -2.387 1.00 2.24 C ATOM 435 C THR A 29 -1.991 22.429 -3.063 1.00 41.55 C ATOM 436 O THR A 29 -2.007 22.935 -4.186 1.00 2.33 O ATOM 437 CB THR A 29 -0.250 20.657 -2.828 1.00 1.41 C ATOM 438 OG1 THR A 29 0.921 20.250 -2.111 1.00 50.22 O ATOM 439 CG2 THR A 29 0.025 20.617 -4.324 1.00 22.15 C ATOM 0 H THR A 29 -0.503 21.320 -0.438 1.00 12.45 H new ATOM 0 HA THR A 29 0.094 22.783 -2.692 1.00 2.24 H new ATOM 0 HB THR A 29 -1.067 19.971 -2.606 1.00 1.41 H new ATOM 0 HG1 THR A 29 1.182 19.349 -2.396 1.00 50.22 H new ATOM 0 HG21 THR A 29 0.322 19.609 -4.613 1.00 22.15 H new ATOM 0 HG22 THR A 29 -0.877 20.899 -4.867 1.00 22.15 H new ATOM 0 HG23 THR A 29 0.827 21.315 -4.565 1.00 22.15 H new ATOM 447 N VAL A 30 -3.096 22.165 -2.374 1.00 31.31 N ATOM 448 CA VAL A 30 -4.420 22.461 -2.908 1.00 41.11 C ATOM 449 C VAL A 30 -4.670 23.964 -2.955 1.00 43.31 C ATOM 450 O VAL A 30 -4.924 24.593 -1.928 1.00 42.13 O ATOM 451 CB VAL A 30 -5.526 21.794 -2.069 1.00 50.01 C ATOM 452 CG1 VAL A 30 -6.900 22.162 -2.607 1.00 52.24 C ATOM 453 CG2 VAL A 30 -5.340 20.284 -2.047 1.00 1.41 C ATOM 0 H VAL A 30 -3.101 21.746 -1.444 1.00 31.31 H new ATOM 0 HA VAL A 30 -4.450 22.059 -3.921 1.00 41.11 H new ATOM 0 HB VAL A 30 -5.453 22.161 -1.045 1.00 50.01 H new ATOM 0 HG11 VAL A 30 -7.668 21.681 -2.002 1.00 52.24 H new ATOM 0 HG12 VAL A 30 -7.029 23.244 -2.566 1.00 52.24 H new ATOM 0 HG13 VAL A 30 -6.989 21.825 -3.640 1.00 52.24 H new ATOM 0 HG21 VAL A 30 -6.130 19.829 -1.450 1.00 1.41 H new ATOM 0 HG22 VAL A 30 -5.386 19.897 -3.065 1.00 1.41 H new ATOM 0 HG23 VAL A 30 -4.371 20.043 -1.610 1.00 1.41 H new ATOM 463 N GLU A 31 -4.596 24.534 -4.154 1.00 61.10 N ATOM 464 CA GLU A 31 -4.814 25.964 -4.334 1.00 41.41 C ATOM 465 C GLU A 31 -6.303 26.297 -4.295 1.00 63.02 C ATOM 466 O GLU A 31 -6.714 27.282 -3.682 1.00 64.41 O ATOM 467 CB GLU A 31 -4.210 26.432 -5.660 1.00 71.21 C ATOM 468 CG GLU A 31 -4.114 27.943 -5.786 1.00 3.02 C ATOM 469 CD GLU A 31 -3.599 28.384 -7.142 1.00 62.12 C ATOM 470 OE1 GLU A 31 -3.693 27.589 -8.100 1.00 61.23 O ATOM 471 OE2 GLU A 31 -3.102 29.525 -7.245 1.00 43.10 O ATOM 0 H GLU A 31 -4.387 24.027 -5.014 1.00 61.10 H new ATOM 0 HA GLU A 31 -4.321 26.486 -3.514 1.00 41.41 H new ATOM 0 HB2 GLU A 31 -3.214 26.003 -5.767 1.00 71.21 H new ATOM 0 HB3 GLU A 31 -4.814 26.045 -6.481 1.00 71.21 H new ATOM 0 HG2 GLU A 31 -5.097 28.381 -5.615 1.00 3.02 H new ATOM 0 HG3 GLU A 31 -3.454 28.327 -5.008 1.00 3.02 H new ATOM 478 N ALA A 32 -7.105 25.468 -4.955 1.00 14.40 N ATOM 479 CA ALA A 32 -8.548 25.673 -4.995 1.00 71.11 C ATOM 480 C ALA A 32 -9.265 24.430 -5.511 1.00 64.42 C ATOM 481 O ALA A 32 -8.635 23.510 -6.034 1.00 40.14 O ATOM 482 CB ALA A 32 -8.887 26.877 -5.861 1.00 44.22 C ATOM 0 H ALA A 32 -6.780 24.649 -5.469 1.00 14.40 H new ATOM 0 HA ALA A 32 -8.891 25.863 -3.978 1.00 71.11 H new ATOM 0 HB1 ALA A 32 -9.968 27.018 -5.881 1.00 44.22 H new ATOM 0 HB2 ALA A 32 -8.413 27.767 -5.448 1.00 44.22 H new ATOM 0 HB3 ALA A 32 -8.524 26.710 -6.875 1.00 44.22 H new ATOM 488 N VAL A 33 -10.585 24.408 -5.360 1.00 31.51 N ATOM 489 CA VAL A 33 -11.387 23.277 -5.811 1.00 75.12 C ATOM 490 C VAL A 33 -12.580 23.745 -6.637 1.00 74.42 C ATOM 491 O VAL A 33 -13.097 24.844 -6.434 1.00 24.41 O ATOM 492 CB VAL A 33 -11.897 22.440 -4.623 1.00 5.04 C ATOM 493 CG1 VAL A 33 -12.554 21.159 -5.114 1.00 3.23 C ATOM 494 CG2 VAL A 33 -10.758 22.131 -3.663 1.00 25.51 C ATOM 0 H VAL A 33 -11.122 25.160 -4.929 1.00 31.51 H new ATOM 0 HA VAL A 33 -10.739 22.657 -6.431 1.00 75.12 H new ATOM 0 HB VAL A 33 -12.647 23.021 -4.087 1.00 5.04 H new ATOM 0 HG11 VAL A 33 -12.908 20.581 -4.260 1.00 3.23 H new ATOM 0 HG12 VAL A 33 -13.397 21.407 -5.759 1.00 3.23 H new ATOM 0 HG13 VAL A 33 -11.829 20.570 -5.675 1.00 3.23 H new ATOM 0 HG21 VAL A 33 -11.135 21.539 -2.829 1.00 25.51 H new ATOM 0 HG22 VAL A 33 -9.984 21.569 -4.186 1.00 25.51 H new ATOM 0 HG23 VAL A 33 -10.338 23.063 -3.285 1.00 25.51 H new ATOM 504 N ARG A 34 -13.014 22.903 -7.570 1.00 30.44 N ATOM 505 CA ARG A 34 -14.146 23.230 -8.428 1.00 34.04 C ATOM 506 C ARG A 34 -14.997 21.993 -8.701 1.00 63.21 C ATOM 507 O ARG A 34 -14.472 20.917 -8.989 1.00 74.24 O ATOM 508 CB ARG A 34 -13.657 23.828 -9.748 1.00 31.20 C ATOM 509 CG ARG A 34 -13.191 25.270 -9.628 1.00 73.42 C ATOM 510 CD ARG A 34 -14.361 26.217 -9.415 1.00 55.22 C ATOM 511 NE ARG A 34 -14.915 26.696 -10.679 1.00 32.10 N ATOM 512 CZ ARG A 34 -14.337 27.628 -11.429 1.00 30.24 C ATOM 513 NH1 ARG A 34 -13.194 28.178 -11.044 1.00 22.25 N ATOM 514 NH2 ARG A 34 -14.902 28.011 -12.566 1.00 73.23 N ATOM 0 H ARG A 34 -12.598 21.989 -7.751 1.00 30.44 H new ATOM 0 HA ARG A 34 -14.761 23.966 -7.910 1.00 34.04 H new ATOM 0 HB2 ARG A 34 -12.837 23.221 -10.130 1.00 31.20 H new ATOM 0 HB3 ARG A 34 -14.462 23.775 -10.481 1.00 31.20 H new ATOM 0 HG2 ARG A 34 -12.493 25.360 -8.796 1.00 73.42 H new ATOM 0 HG3 ARG A 34 -12.650 25.555 -10.530 1.00 73.42 H new ATOM 0 HD2 ARG A 34 -15.140 25.708 -8.847 1.00 55.22 H new ATOM 0 HD3 ARG A 34 -14.035 27.068 -8.817 1.00 55.22 H new ATOM 0 HE ARG A 34 -15.794 26.293 -11.004 1.00 32.10 H new ATOM 0 HH11 ARG A 34 -12.756 27.886 -10.170 1.00 22.25 H new ATOM 0 HH12 ARG A 34 -12.752 28.893 -11.622 1.00 22.25 H new ATOM 0 HH21 ARG A 34 -15.781 27.590 -12.866 1.00 73.23 H new ATOM 0 HH22 ARG A 34 -14.457 28.727 -13.141 1.00 73.23 H new ATOM 528 N LYS A 35 -16.312 22.153 -8.608 1.00 54.33 N ATOM 529 CA LYS A 35 -17.237 21.051 -8.846 1.00 42.11 C ATOM 530 C LYS A 35 -17.526 20.895 -10.336 1.00 24.13 C ATOM 531 O LYS A 35 -17.268 21.803 -11.126 1.00 72.21 O ATOM 532 CB LYS A 35 -18.544 21.281 -8.084 1.00 23.12 C ATOM 533 CG LYS A 35 -19.441 22.330 -8.717 1.00 41.21 C ATOM 534 CD LYS A 35 -20.642 21.698 -9.400 1.00 13.23 C ATOM 535 CE LYS A 35 -21.603 21.093 -8.388 1.00 74.32 C ATOM 536 NZ LYS A 35 -22.186 19.811 -8.875 1.00 10.53 N ATOM 0 H LYS A 35 -16.762 23.036 -8.369 1.00 54.33 H new ATOM 0 HA LYS A 35 -16.770 20.134 -8.486 1.00 42.11 H new ATOM 0 HB2 LYS A 35 -19.089 20.339 -8.022 1.00 23.12 H new ATOM 0 HB3 LYS A 35 -18.311 21.583 -7.063 1.00 23.12 H new ATOM 0 HG2 LYS A 35 -19.782 23.028 -7.952 1.00 41.21 H new ATOM 0 HG3 LYS A 35 -18.870 22.908 -9.444 1.00 41.21 H new ATOM 0 HD2 LYS A 35 -21.162 22.450 -9.993 1.00 13.23 H new ATOM 0 HD3 LYS A 35 -20.304 20.925 -10.090 1.00 13.23 H new ATOM 0 HE2 LYS A 35 -21.079 20.920 -7.448 1.00 74.32 H new ATOM 0 HE3 LYS A 35 -22.405 21.801 -8.180 1.00 74.32 H new ATOM 0 HZ1 LYS A 35 -22.349 19.175 -8.068 1.00 10.53 H new ATOM 0 HZ2 LYS A 35 -23.089 20.000 -9.354 1.00 10.53 H new ATOM 0 HZ3 LYS A 35 -21.527 19.362 -9.543 1.00 10.53 H new ATOM 550 N SER A 36 -18.063 19.739 -10.712 1.00 21.23 N ATOM 551 CA SER A 36 -18.385 19.463 -12.107 1.00 44.31 C ATOM 552 C SER A 36 -19.874 19.665 -12.371 1.00 45.44 C ATOM 553 O SER A 36 -20.718 18.997 -11.774 1.00 44.12 O ATOM 554 CB SER A 36 -17.979 18.034 -12.473 1.00 54.23 C ATOM 555 OG SER A 36 -17.070 18.025 -13.560 1.00 73.43 O ATOM 0 H SER A 36 -18.284 18.978 -10.070 1.00 21.23 H new ATOM 0 HA SER A 36 -17.826 20.162 -12.729 1.00 44.31 H new ATOM 0 HB2 SER A 36 -17.523 17.550 -11.610 1.00 54.23 H new ATOM 0 HB3 SER A 36 -18.866 17.455 -12.732 1.00 54.23 H new ATOM 0 HG SER A 36 -16.825 17.101 -13.774 1.00 73.43 H new ATOM 561 N ASP A 37 -20.188 20.592 -13.270 1.00 62.43 N ATOM 562 CA ASP A 37 -21.574 20.882 -13.616 1.00 14.52 C ATOM 563 C ASP A 37 -22.217 19.696 -14.327 1.00 54.13 C ATOM 564 O ASP A 37 -23.429 19.490 -14.243 1.00 1.12 O ATOM 565 CB ASP A 37 -21.651 22.127 -14.501 1.00 54.14 C ATOM 566 CG ASP A 37 -21.751 23.407 -13.694 1.00 74.44 C ATOM 567 OD1 ASP A 37 -22.871 23.746 -13.257 1.00 63.13 O ATOM 568 OD2 ASP A 37 -20.710 24.069 -13.501 1.00 14.24 O ATOM 0 H ASP A 37 -19.501 21.155 -13.772 1.00 62.43 H new ATOM 0 HA ASP A 37 -22.122 21.068 -12.692 1.00 14.52 H new ATOM 0 HB2 ASP A 37 -20.768 22.171 -15.138 1.00 54.14 H new ATOM 0 HB3 ASP A 37 -22.516 22.048 -15.160 1.00 54.14 H new ATOM 573 N LEU A 38 -21.399 18.919 -15.029 1.00 14.51 N ATOM 574 CA LEU A 38 -21.888 17.753 -15.757 1.00 11.53 C ATOM 575 C LEU A 38 -22.119 16.579 -14.811 1.00 62.24 C ATOM 576 O LEU A 38 -23.067 15.811 -14.979 1.00 2.33 O ATOM 577 CB LEU A 38 -20.894 17.356 -16.849 1.00 40.02 C ATOM 578 CG LEU A 38 -19.435 17.222 -16.412 1.00 62.23 C ATOM 579 CD1 LEU A 38 -18.805 15.982 -17.028 1.00 33.43 C ATOM 580 CD2 LEU A 38 -18.647 18.467 -16.793 1.00 72.13 C ATOM 0 H LEU A 38 -20.394 19.075 -15.109 1.00 14.51 H new ATOM 0 HA LEU A 38 -22.840 18.016 -16.219 1.00 11.53 H new ATOM 0 HB2 LEU A 38 -21.214 16.405 -17.275 1.00 40.02 H new ATOM 0 HB3 LEU A 38 -20.947 18.097 -17.647 1.00 40.02 H new ATOM 0 HG LEU A 38 -19.409 17.118 -15.327 1.00 62.23 H new ATOM 0 HD11 LEU A 38 -17.767 15.903 -16.706 1.00 33.43 H new ATOM 0 HD12 LEU A 38 -19.353 15.097 -16.705 1.00 33.43 H new ATOM 0 HD13 LEU A 38 -18.843 16.056 -18.115 1.00 33.43 H new ATOM 0 HD21 LEU A 38 -17.611 18.354 -16.474 1.00 72.13 H new ATOM 0 HD22 LEU A 38 -18.681 18.603 -17.874 1.00 72.13 H new ATOM 0 HD23 LEU A 38 -19.084 19.338 -16.304 1.00 72.13 H new ATOM 592 N ASP A 39 -21.247 16.446 -13.818 1.00 14.25 N ATOM 593 CA ASP A 39 -21.358 15.367 -12.843 1.00 3.01 C ATOM 594 C ASP A 39 -21.228 15.904 -11.421 1.00 24.32 C ATOM 595 O ASP A 39 -20.196 16.464 -11.050 1.00 41.12 O ATOM 596 CB ASP A 39 -20.286 14.306 -13.101 1.00 14.40 C ATOM 597 CG ASP A 39 -20.519 13.552 -14.395 1.00 45.14 C ATOM 598 OD1 ASP A 39 -21.664 13.114 -14.630 1.00 34.22 O ATOM 599 OD2 ASP A 39 -19.555 13.401 -15.174 1.00 64.34 O ATOM 0 H ASP A 39 -20.456 17.072 -13.667 1.00 14.25 H new ATOM 0 HA ASP A 39 -22.342 14.912 -12.952 1.00 3.01 H new ATOM 0 HB2 ASP A 39 -19.307 14.783 -13.133 1.00 14.40 H new ATOM 0 HB3 ASP A 39 -20.270 13.600 -12.270 1.00 14.40 H new ATOM 604 N ASP A 40 -22.280 15.729 -10.630 1.00 14.43 N ATOM 605 CA ASP A 40 -22.284 16.196 -9.248 1.00 51.21 C ATOM 606 C ASP A 40 -21.310 15.386 -8.398 1.00 74.01 C ATOM 607 O ASP A 40 -20.847 15.849 -7.356 1.00 0.22 O ATOM 608 CB ASP A 40 -23.693 16.104 -8.660 1.00 21.41 C ATOM 609 CG ASP A 40 -24.743 16.700 -9.576 1.00 12.51 C ATOM 610 OD1 ASP A 40 -24.968 17.926 -9.501 1.00 4.51 O ATOM 611 OD2 ASP A 40 -25.341 15.941 -10.367 1.00 54.52 O ATOM 0 H ASP A 40 -23.141 15.267 -10.922 1.00 14.43 H new ATOM 0 HA ASP A 40 -21.964 17.238 -9.241 1.00 51.21 H new ATOM 0 HB2 ASP A 40 -23.935 15.059 -8.466 1.00 21.41 H new ATOM 0 HB3 ASP A 40 -23.717 16.620 -7.700 1.00 21.41 H new ATOM 616 N ARG A 41 -21.005 14.174 -8.850 1.00 34.11 N ATOM 617 CA ARG A 41 -20.089 13.298 -8.130 1.00 2.32 C ATOM 618 C ARG A 41 -18.673 13.418 -8.686 1.00 21.01 C ATOM 619 O ARG A 41 -17.902 12.458 -8.662 1.00 50.41 O ATOM 620 CB ARG A 41 -20.562 11.846 -8.218 1.00 2.21 C ATOM 621 CG ARG A 41 -22.017 11.655 -7.824 1.00 32.32 C ATOM 622 CD ARG A 41 -22.394 10.182 -7.782 1.00 22.02 C ATOM 623 NE ARG A 41 -22.349 9.568 -9.106 1.00 31.41 N ATOM 624 CZ ARG A 41 -22.355 8.255 -9.307 1.00 74.45 C ATOM 625 NH1 ARG A 41 -22.405 7.423 -8.276 1.00 62.54 N ATOM 626 NH2 ARG A 41 -22.313 7.772 -10.543 1.00 21.54 N ATOM 0 H ARG A 41 -21.379 13.776 -9.712 1.00 34.11 H new ATOM 0 HA ARG A 41 -20.078 13.606 -7.084 1.00 2.32 H new ATOM 0 HB2 ARG A 41 -20.420 11.488 -9.238 1.00 2.21 H new ATOM 0 HB3 ARG A 41 -19.936 11.229 -7.574 1.00 2.21 H new ATOM 0 HG2 ARG A 41 -22.192 12.105 -6.847 1.00 32.32 H new ATOM 0 HG3 ARG A 41 -22.659 12.176 -8.534 1.00 32.32 H new ATOM 0 HD2 ARG A 41 -21.715 9.653 -7.114 1.00 22.02 H new ATOM 0 HD3 ARG A 41 -23.396 10.076 -7.367 1.00 22.02 H new ATOM 0 HE ARG A 41 -22.311 10.181 -9.921 1.00 31.41 H new ATOM 0 HH11 ARG A 41 -22.439 7.791 -7.325 1.00 62.54 H new ATOM 0 HH12 ARG A 41 -22.409 6.415 -8.434 1.00 62.54 H new ATOM 0 HH21 ARG A 41 -22.276 8.409 -11.339 1.00 21.54 H new ATOM 0 HH22 ARG A 41 -22.318 6.764 -10.697 1.00 21.54 H new ATOM 640 N VAL A 42 -18.337 14.603 -9.187 1.00 34.23 N ATOM 641 CA VAL A 42 -17.015 14.849 -9.748 1.00 64.54 C ATOM 642 C VAL A 42 -16.482 16.213 -9.325 1.00 34.15 C ATOM 643 O VAL A 42 -17.199 17.213 -9.372 1.00 74.31 O ATOM 644 CB VAL A 42 -17.035 14.773 -11.287 1.00 31.03 C ATOM 645 CG1 VAL A 42 -15.655 15.067 -11.854 1.00 62.43 C ATOM 646 CG2 VAL A 42 -17.531 13.410 -11.746 1.00 43.21 C ATOM 0 H VAL A 42 -18.963 15.408 -9.215 1.00 34.23 H new ATOM 0 HA VAL A 42 -16.358 14.070 -9.361 1.00 64.54 H new ATOM 0 HB VAL A 42 -17.724 15.530 -11.663 1.00 31.03 H new ATOM 0 HG11 VAL A 42 -15.689 15.009 -12.942 1.00 62.43 H new ATOM 0 HG12 VAL A 42 -15.344 16.068 -11.554 1.00 62.43 H new ATOM 0 HG13 VAL A 42 -14.942 14.336 -11.473 1.00 62.43 H new ATOM 0 HG21 VAL A 42 -17.539 13.374 -12.835 1.00 43.21 H new ATOM 0 HG22 VAL A 42 -16.869 12.634 -11.362 1.00 43.21 H new ATOM 0 HG23 VAL A 42 -18.541 13.245 -11.370 1.00 43.21 H new ATOM 656 N TYR A 43 -15.221 16.247 -8.911 1.00 23.25 N ATOM 657 CA TYR A 43 -14.592 17.489 -8.476 1.00 71.41 C ATOM 658 C TYR A 43 -13.156 17.578 -8.982 1.00 25.01 C ATOM 659 O TYR A 43 -12.432 16.583 -9.007 1.00 42.04 O ATOM 660 CB TYR A 43 -14.614 17.589 -6.950 1.00 13.31 C ATOM 661 CG TYR A 43 -15.954 18.011 -6.390 1.00 73.44 C ATOM 662 CD1 TYR A 43 -16.979 17.088 -6.218 1.00 3.01 C ATOM 663 CD2 TYR A 43 -16.196 19.332 -6.033 1.00 64.42 C ATOM 664 CE1 TYR A 43 -18.205 17.469 -5.708 1.00 24.12 C ATOM 665 CE2 TYR A 43 -17.418 19.721 -5.521 1.00 0.30 C ATOM 666 CZ TYR A 43 -18.419 18.786 -5.361 1.00 14.44 C ATOM 667 OH TYR A 43 -19.639 19.170 -4.851 1.00 22.52 O ATOM 0 H TYR A 43 -14.613 15.429 -8.867 1.00 23.25 H new ATOM 0 HA TYR A 43 -15.158 18.320 -8.896 1.00 71.41 H new ATOM 0 HB2 TYR A 43 -14.341 16.622 -6.527 1.00 13.31 H new ATOM 0 HB3 TYR A 43 -13.855 18.303 -6.630 1.00 13.31 H new ATOM 0 HD1 TYR A 43 -16.814 16.055 -6.488 1.00 3.01 H new ATOM 0 HD2 TYR A 43 -15.415 20.067 -6.158 1.00 64.42 H new ATOM 0 HE1 TYR A 43 -18.991 16.739 -5.582 1.00 24.12 H new ATOM 0 HE2 TYR A 43 -17.589 20.752 -5.247 1.00 0.30 H new ATOM 0 HH TYR A 43 -20.056 18.411 -4.393 1.00 22.52 H new ATOM 677 N MET A 44 -12.750 18.778 -9.383 1.00 51.32 N ATOM 678 CA MET A 44 -11.400 18.999 -9.887 1.00 5.41 C ATOM 679 C MET A 44 -10.605 19.892 -8.939 1.00 52.50 C ATOM 680 O MET A 44 -10.975 21.042 -8.697 1.00 65.24 O ATOM 681 CB MET A 44 -11.449 19.630 -11.280 1.00 4.43 C ATOM 682 CG MET A 44 -12.267 20.910 -11.339 1.00 32.12 C ATOM 683 SD MET A 44 -12.492 21.514 -13.023 1.00 21.41 S ATOM 684 CE MET A 44 -14.140 20.910 -13.382 1.00 3.22 C ATOM 0 H MET A 44 -13.337 19.612 -9.369 1.00 51.32 H new ATOM 0 HA MET A 44 -10.901 18.032 -9.952 1.00 5.41 H new ATOM 0 HB2 MET A 44 -10.432 19.843 -11.609 1.00 4.43 H new ATOM 0 HB3 MET A 44 -11.867 18.909 -11.982 1.00 4.43 H new ATOM 0 HG2 MET A 44 -13.243 20.734 -10.887 1.00 32.12 H new ATOM 0 HG3 MET A 44 -11.774 21.679 -10.744 1.00 32.12 H new ATOM 0 HE1 MET A 44 -14.423 21.205 -14.392 1.00 3.22 H new ATOM 0 HE2 MET A 44 -14.154 19.823 -13.303 1.00 3.22 H new ATOM 0 HE3 MET A 44 -14.847 21.335 -12.669 1.00 3.22 H new ATOM 694 N VAL A 45 -9.513 19.356 -8.404 1.00 43.52 N ATOM 695 CA VAL A 45 -8.666 20.105 -7.483 1.00 41.43 C ATOM 696 C VAL A 45 -7.500 20.759 -8.217 1.00 13.32 C ATOM 697 O VAL A 45 -6.761 20.096 -8.945 1.00 31.21 O ATOM 698 CB VAL A 45 -8.113 19.200 -6.367 1.00 64.20 C ATOM 699 CG1 VAL A 45 -7.186 19.986 -5.452 1.00 62.50 C ATOM 700 CG2 VAL A 45 -9.251 18.574 -5.576 1.00 73.30 C ATOM 0 H VAL A 45 -9.194 18.406 -8.592 1.00 43.52 H new ATOM 0 HA VAL A 45 -9.291 20.879 -7.037 1.00 41.43 H new ATOM 0 HB VAL A 45 -7.536 18.398 -6.827 1.00 64.20 H new ATOM 0 HG11 VAL A 45 -6.805 19.330 -4.669 1.00 62.50 H new ATOM 0 HG12 VAL A 45 -6.352 20.382 -6.032 1.00 62.50 H new ATOM 0 HG13 VAL A 45 -7.736 20.811 -4.998 1.00 62.50 H new ATOM 0 HG21 VAL A 45 -8.842 17.938 -4.791 1.00 73.30 H new ATOM 0 HG22 VAL A 45 -9.857 19.360 -5.126 1.00 73.30 H new ATOM 0 HG23 VAL A 45 -9.871 17.975 -6.243 1.00 73.30 H new ATOM 710 N CYS A 46 -7.342 22.063 -8.020 1.00 4.32 N ATOM 711 CA CYS A 46 -6.265 22.808 -8.663 1.00 51.30 C ATOM 712 C CYS A 46 -5.092 23.002 -7.708 1.00 22.10 C ATOM 713 O CYS A 46 -5.206 23.702 -6.701 1.00 31.54 O ATOM 714 CB CYS A 46 -6.775 24.167 -9.146 1.00 62.20 C ATOM 715 SG CYS A 46 -7.909 24.073 -10.551 1.00 35.33 S ATOM 0 H CYS A 46 -7.945 22.626 -7.421 1.00 4.32 H new ATOM 0 HA CYS A 46 -5.920 22.231 -9.521 1.00 51.30 H new ATOM 0 HB2 CYS A 46 -7.278 24.669 -8.320 1.00 62.20 H new ATOM 0 HB3 CYS A 46 -5.921 24.786 -9.422 1.00 62.20 H new ATOM 0 HG CYS A 46 -8.287 25.271 -10.885 1.00 35.33 H new ATOM 721 N LEU A 47 -3.965 22.377 -8.030 1.00 24.13 N ATOM 722 CA LEU A 47 -2.769 22.479 -7.199 1.00 74.25 C ATOM 723 C LEU A 47 -2.008 23.767 -7.497 1.00 20.51 C ATOM 724 O LEU A 47 -1.985 24.239 -8.634 1.00 14.14 O ATOM 725 CB LEU A 47 -1.860 21.270 -7.430 1.00 11.44 C ATOM 726 CG LEU A 47 -2.491 19.899 -7.184 1.00 2.31 C ATOM 727 CD1 LEU A 47 -1.458 18.797 -7.360 1.00 3.22 C ATOM 728 CD2 LEU A 47 -3.108 19.837 -5.794 1.00 51.44 C ATOM 0 H LEU A 47 -3.854 21.794 -8.860 1.00 24.13 H new ATOM 0 HA LEU A 47 -3.081 22.497 -6.155 1.00 74.25 H new ATOM 0 HB2 LEU A 47 -1.500 21.303 -8.458 1.00 11.44 H new ATOM 0 HB3 LEU A 47 -0.988 21.368 -6.784 1.00 11.44 H new ATOM 0 HG LEU A 47 -3.283 19.748 -7.918 1.00 2.31 H new ATOM 0 HD11 LEU A 47 -1.925 17.829 -7.181 1.00 3.22 H new ATOM 0 HD12 LEU A 47 -1.063 18.827 -8.375 1.00 3.22 H new ATOM 0 HD13 LEU A 47 -0.644 18.944 -6.650 1.00 3.22 H new ATOM 0 HD21 LEU A 47 -3.552 18.854 -5.637 1.00 51.44 H new ATOM 0 HD22 LEU A 47 -2.335 20.010 -5.045 1.00 51.44 H new ATOM 0 HD23 LEU A 47 -3.879 20.602 -5.704 1.00 51.44 H new ATOM 740 N LYS A 48 -1.383 24.329 -6.468 1.00 51.31 N ATOM 741 CA LYS A 48 -0.617 25.561 -6.618 1.00 62.43 C ATOM 742 C LYS A 48 0.581 25.347 -7.539 1.00 11.35 C ATOM 743 O LYS A 48 1.318 24.372 -7.396 1.00 1.45 O ATOM 744 CB LYS A 48 -0.141 26.059 -5.252 1.00 12.50 C ATOM 745 CG LYS A 48 -1.073 27.078 -4.618 1.00 61.03 C ATOM 746 CD LYS A 48 -0.415 27.779 -3.442 1.00 12.14 C ATOM 747 CE LYS A 48 -1.418 28.073 -2.336 1.00 60.23 C ATOM 748 NZ LYS A 48 -2.383 29.136 -2.731 1.00 71.12 N ATOM 0 H LYS A 48 -1.392 23.951 -5.521 1.00 51.31 H new ATOM 0 HA LYS A 48 -1.268 26.313 -7.065 1.00 62.43 H new ATOM 0 HB2 LYS A 48 -0.036 25.207 -4.580 1.00 12.50 H new ATOM 0 HB3 LYS A 48 0.849 26.502 -5.361 1.00 12.50 H new ATOM 0 HG2 LYS A 48 -1.368 27.816 -5.364 1.00 61.03 H new ATOM 0 HG3 LYS A 48 -1.984 26.581 -4.283 1.00 61.03 H new ATOM 0 HD2 LYS A 48 0.389 27.156 -3.049 1.00 12.14 H new ATOM 0 HD3 LYS A 48 0.039 28.711 -3.780 1.00 12.14 H new ATOM 0 HE2 LYS A 48 -1.963 27.162 -2.088 1.00 60.23 H new ATOM 0 HE3 LYS A 48 -0.886 28.381 -1.436 1.00 60.23 H new ATOM 0 HZ1 LYS A 48 -2.430 29.857 -1.983 1.00 71.12 H new ATOM 0 HZ2 LYS A 48 -2.069 29.578 -3.619 1.00 71.12 H new ATOM 0 HZ3 LYS A 48 -3.325 28.717 -2.867 1.00 71.12 H new ATOM 762 N GLN A 49 0.768 26.266 -8.481 1.00 24.32 N ATOM 763 CA GLN A 49 1.878 26.177 -9.423 1.00 54.21 C ATOM 764 C GLN A 49 3.202 25.990 -8.689 1.00 54.54 C ATOM 765 O GLN A 49 3.620 26.850 -7.915 1.00 45.14 O ATOM 766 CB GLN A 49 1.936 27.433 -10.294 1.00 2.41 C ATOM 767 CG GLN A 49 2.749 27.254 -11.566 1.00 52.51 C ATOM 768 CD GLN A 49 1.948 26.618 -12.685 1.00 44.02 C ATOM 769 OE1 GLN A 49 0.721 26.707 -12.714 1.00 54.34 O ATOM 770 NE2 GLN A 49 2.641 25.971 -13.615 1.00 22.53 N ATOM 0 H GLN A 49 0.167 27.079 -8.612 1.00 24.32 H new ATOM 0 HA GLN A 49 1.712 25.309 -10.061 1.00 54.21 H new ATOM 0 HB2 GLN A 49 0.921 27.728 -10.560 1.00 2.41 H new ATOM 0 HB3 GLN A 49 2.363 28.250 -9.712 1.00 2.41 H new ATOM 0 HG2 GLN A 49 3.119 28.225 -11.896 1.00 52.51 H new ATOM 0 HG3 GLN A 49 3.621 26.636 -11.352 1.00 52.51 H new ATOM 0 HE21 GLN A 49 3.658 25.922 -13.552 1.00 22.53 H new ATOM 0 HE22 GLN A 49 2.156 25.523 -14.393 1.00 22.53 H new ATOM 779 N GLY A 50 3.856 24.860 -8.938 1.00 44.33 N ATOM 780 CA GLY A 50 5.126 24.581 -8.293 1.00 50.11 C ATOM 781 C GLY A 50 5.004 23.536 -7.202 1.00 2.34 C ATOM 782 O GLY A 50 5.995 22.922 -6.808 1.00 25.22 O ATOM 0 H GLY A 50 3.529 24.133 -9.574 1.00 44.33 H new ATOM 0 HA2 GLY A 50 5.842 24.240 -9.040 1.00 50.11 H new ATOM 0 HA3 GLY A 50 5.524 25.502 -7.867 1.00 50.11 H new ATOM 786 N SER A 51 3.786 23.335 -6.710 1.00 53.32 N ATOM 787 CA SER A 51 3.539 22.361 -5.653 1.00 52.53 C ATOM 788 C SER A 51 3.171 21.003 -6.242 1.00 31.34 C ATOM 789 O SER A 51 2.790 20.900 -7.408 1.00 64.14 O ATOM 790 CB SER A 51 2.420 22.850 -4.731 1.00 40.53 C ATOM 791 OG SER A 51 2.724 24.125 -4.192 1.00 41.33 O ATOM 0 H SER A 51 2.954 23.834 -7.026 1.00 53.32 H new ATOM 0 HA SER A 51 4.455 22.250 -5.073 1.00 52.53 H new ATOM 0 HB2 SER A 51 1.483 22.900 -5.286 1.00 40.53 H new ATOM 0 HB3 SER A 51 2.273 22.135 -3.921 1.00 40.53 H new ATOM 0 HG SER A 51 1.993 24.416 -3.608 1.00 41.33 H new ATOM 797 N THR A 52 3.287 19.960 -5.425 1.00 2.10 N ATOM 798 CA THR A 52 2.969 18.607 -5.863 1.00 33.01 C ATOM 799 C THR A 52 2.292 17.814 -4.751 1.00 23.04 C ATOM 800 O THR A 52 2.848 17.650 -3.664 1.00 45.54 O ATOM 801 CB THR A 52 4.231 17.853 -6.321 1.00 23.13 C ATOM 802 OG1 THR A 52 4.931 18.622 -7.305 1.00 63.22 O ATOM 803 CG2 THR A 52 3.870 16.492 -6.896 1.00 30.31 C ATOM 0 H THR A 52 3.599 20.027 -4.456 1.00 2.10 H new ATOM 0 HA THR A 52 2.285 18.701 -6.707 1.00 33.01 H new ATOM 0 HB THR A 52 4.873 17.704 -5.453 1.00 23.13 H new ATOM 0 HG1 THR A 52 5.733 18.136 -7.590 1.00 63.22 H new ATOM 0 HG21 THR A 52 4.778 15.978 -7.213 1.00 30.31 H new ATOM 0 HG22 THR A 52 3.364 15.898 -6.135 1.00 30.31 H new ATOM 0 HG23 THR A 52 3.209 16.623 -7.753 1.00 30.31 H new ATOM 811 N PHE A 53 1.089 17.322 -5.028 1.00 42.31 N ATOM 812 CA PHE A 53 0.336 16.546 -4.050 1.00 24.21 C ATOM 813 C PHE A 53 0.815 15.097 -4.020 1.00 42.34 C ATOM 814 O PHE A 53 0.511 14.313 -4.919 1.00 21.40 O ATOM 815 CB PHE A 53 -1.159 16.594 -4.371 1.00 1.14 C ATOM 816 CG PHE A 53 -2.037 16.388 -3.169 1.00 44.13 C ATOM 817 CD1 PHE A 53 -1.907 15.252 -2.387 1.00 11.12 C ATOM 818 CD2 PHE A 53 -2.992 17.330 -2.823 1.00 4.41 C ATOM 819 CE1 PHE A 53 -2.713 15.060 -1.280 1.00 60.44 C ATOM 820 CE2 PHE A 53 -3.800 17.144 -1.718 1.00 21.45 C ATOM 821 CZ PHE A 53 -3.661 16.006 -0.946 1.00 53.31 C ATOM 0 H PHE A 53 0.615 17.447 -5.922 1.00 42.31 H new ATOM 0 HA PHE A 53 0.504 16.986 -3.067 1.00 24.21 H new ATOM 0 HB2 PHE A 53 -1.395 17.558 -4.822 1.00 1.14 H new ATOM 0 HB3 PHE A 53 -1.388 15.830 -5.114 1.00 1.14 H new ATOM 0 HD1 PHE A 53 -1.168 14.508 -2.645 1.00 11.12 H new ATOM 0 HD2 PHE A 53 -3.106 18.220 -3.424 1.00 4.41 H new ATOM 0 HE1 PHE A 53 -2.601 14.171 -0.677 1.00 60.44 H new ATOM 0 HE2 PHE A 53 -4.539 17.887 -1.458 1.00 21.45 H new ATOM 0 HZ PHE A 53 -4.293 15.857 -0.083 1.00 53.31 H new ATOM 831 N VAL A 54 1.567 14.750 -2.981 1.00 22.12 N ATOM 832 CA VAL A 54 2.088 13.396 -2.833 1.00 4.34 C ATOM 833 C VAL A 54 1.339 12.635 -1.745 1.00 3.03 C ATOM 834 O VAL A 54 1.027 13.186 -0.688 1.00 44.22 O ATOM 835 CB VAL A 54 3.591 13.407 -2.494 1.00 40.43 C ATOM 836 CG1 VAL A 54 4.096 11.992 -2.258 1.00 51.13 C ATOM 837 CG2 VAL A 54 4.381 14.086 -3.603 1.00 2.43 C ATOM 0 H VAL A 54 1.829 15.387 -2.229 1.00 22.12 H new ATOM 0 HA VAL A 54 1.942 12.894 -3.790 1.00 4.34 H new ATOM 0 HB VAL A 54 3.735 13.976 -1.575 1.00 40.43 H new ATOM 0 HG11 VAL A 54 5.159 12.020 -2.020 1.00 51.13 H new ATOM 0 HG12 VAL A 54 3.550 11.545 -1.428 1.00 51.13 H new ATOM 0 HG13 VAL A 54 3.941 11.396 -3.157 1.00 51.13 H new ATOM 0 HG21 VAL A 54 5.441 14.085 -3.348 1.00 2.43 H new ATOM 0 HG22 VAL A 54 4.233 13.546 -4.538 1.00 2.43 H new ATOM 0 HG23 VAL A 54 4.036 15.114 -3.719 1.00 2.43 H new ATOM 847 N LEU A 55 1.053 11.365 -2.009 1.00 65.02 N ATOM 848 CA LEU A 55 0.341 10.526 -1.052 1.00 72.21 C ATOM 849 C LEU A 55 1.259 9.450 -0.481 1.00 43.22 C ATOM 850 O LEU A 55 1.572 8.467 -1.152 1.00 1.53 O ATOM 851 CB LEU A 55 -0.873 9.875 -1.719 1.00 5.12 C ATOM 852 CG LEU A 55 -2.235 10.467 -1.356 1.00 72.34 C ATOM 853 CD1 LEU A 55 -2.436 10.460 0.151 1.00 0.21 C ATOM 854 CD2 LEU A 55 -2.367 11.879 -1.908 1.00 33.22 C ATOM 0 H LEU A 55 1.303 10.894 -2.878 1.00 65.02 H new ATOM 0 HA LEU A 55 0.002 11.160 -0.233 1.00 72.21 H new ATOM 0 HB2 LEU A 55 -0.747 9.940 -2.800 1.00 5.12 H new ATOM 0 HB3 LEU A 55 -0.879 8.816 -1.462 1.00 5.12 H new ATOM 0 HG LEU A 55 -3.011 9.848 -1.807 1.00 72.34 H new ATOM 0 HD11 LEU A 55 -3.411 10.885 0.390 1.00 0.21 H new ATOM 0 HD12 LEU A 55 -2.387 9.436 0.520 1.00 0.21 H new ATOM 0 HD13 LEU A 55 -1.655 11.054 0.625 1.00 0.21 H new ATOM 0 HD21 LEU A 55 -3.343 12.285 -1.640 1.00 33.22 H new ATOM 0 HD22 LEU A 55 -1.584 12.509 -1.487 1.00 33.22 H new ATOM 0 HD23 LEU A 55 -2.269 11.856 -2.993 1.00 33.22 H new ATOM 866 N ASN A 56 1.686 9.643 0.763 1.00 43.24 N ATOM 867 CA ASN A 56 2.568 8.689 1.425 1.00 72.52 C ATOM 868 C ASN A 56 1.856 7.359 1.654 1.00 72.34 C ATOM 869 O ASN A 56 2.484 6.301 1.669 1.00 33.11 O ATOM 870 CB ASN A 56 3.056 9.255 2.760 1.00 60.42 C ATOM 871 CG ASN A 56 4.294 8.543 3.271 1.00 10.42 C ATOM 872 OD1 ASN A 56 5.095 8.029 2.491 1.00 72.34 O ATOM 873 ND2 ASN A 56 4.456 8.512 4.589 1.00 72.41 N ATOM 0 H ASN A 56 1.435 10.451 1.333 1.00 43.24 H new ATOM 0 HA ASN A 56 3.426 8.515 0.776 1.00 72.52 H new ATOM 0 HB2 ASN A 56 3.273 10.317 2.644 1.00 60.42 H new ATOM 0 HB3 ASN A 56 2.260 9.171 3.500 1.00 60.42 H new ATOM 0 HD21 ASN A 56 5.270 8.049 4.992 1.00 72.41 H new ATOM 0 HD22 ASN A 56 3.766 8.952 5.198 1.00 72.41 H new ATOM 880 N GLY A 57 0.539 7.421 1.830 1.00 3.02 N ATOM 881 CA GLY A 57 -0.237 6.216 2.055 1.00 22.42 C ATOM 882 C GLY A 57 -1.102 5.853 0.865 1.00 74.21 C ATOM 883 O GLY A 57 -1.611 4.736 0.775 1.00 3.05 O ATOM 0 H GLY A 57 -0.004 8.285 1.821 1.00 3.02 H new ATOM 0 HA2 GLY A 57 0.438 5.389 2.275 1.00 22.42 H new ATOM 0 HA3 GLY A 57 -0.870 6.353 2.932 1.00 22.42 H new ATOM 887 N GLY A 58 -1.272 6.800 -0.052 1.00 51.35 N ATOM 888 CA GLY A 58 -2.084 6.556 -1.230 1.00 34.20 C ATOM 889 C GLY A 58 -3.502 7.071 -1.074 1.00 25.51 C ATOM 890 O GLY A 58 -3.770 7.922 -0.225 1.00 63.33 O ATOM 0 H GLY A 58 -0.862 7.732 -0.000 1.00 51.35 H new ATOM 0 HA2 GLY A 58 -1.620 7.034 -2.093 1.00 34.20 H new ATOM 0 HA3 GLY A 58 -2.110 5.486 -1.434 1.00 34.20 H new ATOM 894 N ILE A 59 -4.410 6.555 -1.895 1.00 13.21 N ATOM 895 CA ILE A 59 -5.807 6.969 -1.844 1.00 30.20 C ATOM 896 C ILE A 59 -6.538 6.297 -0.687 1.00 24.44 C ATOM 897 O ILE A 59 -7.566 6.786 -0.221 1.00 51.34 O ATOM 898 CB ILE A 59 -6.539 6.641 -3.158 1.00 75.15 C ATOM 899 CG1 ILE A 59 -5.734 7.147 -4.357 1.00 0.43 C ATOM 900 CG2 ILE A 59 -7.933 7.251 -3.154 1.00 73.25 C ATOM 901 CD1 ILE A 59 -5.445 8.631 -4.307 1.00 13.40 C ATOM 0 H ILE A 59 -4.204 5.850 -2.603 1.00 13.21 H new ATOM 0 HA ILE A 59 -5.811 8.049 -1.695 1.00 30.20 H new ATOM 0 HB ILE A 59 -6.637 5.559 -3.241 1.00 75.15 H new ATOM 0 HG12 ILE A 59 -4.791 6.603 -4.407 1.00 0.43 H new ATOM 0 HG13 ILE A 59 -6.281 6.922 -5.273 1.00 0.43 H new ATOM 0 HG21 ILE A 59 -8.438 7.011 -4.089 1.00 73.25 H new ATOM 0 HG22 ILE A 59 -8.505 6.847 -2.319 1.00 73.25 H new ATOM 0 HG23 ILE A 59 -7.856 8.333 -3.051 1.00 73.25 H new ATOM 0 HD11 ILE A 59 -4.871 8.920 -5.188 1.00 13.40 H new ATOM 0 HD12 ILE A 59 -6.384 9.184 -4.288 1.00 13.40 H new ATOM 0 HD13 ILE A 59 -4.871 8.860 -3.409 1.00 13.40 H new ATOM 913 N GLU A 60 -5.997 5.173 -0.226 1.00 34.32 N ATOM 914 CA GLU A 60 -6.598 4.434 0.879 1.00 72.04 C ATOM 915 C GLU A 60 -6.658 5.293 2.139 1.00 74.44 C ATOM 916 O GLU A 60 -7.681 5.339 2.822 1.00 41.05 O ATOM 917 CB GLU A 60 -5.805 3.155 1.157 1.00 15.21 C ATOM 918 CG GLU A 60 -5.681 2.241 -0.050 1.00 43.34 C ATOM 919 CD GLU A 60 -4.676 1.126 0.164 1.00 72.34 C ATOM 920 OE1 GLU A 60 -4.546 0.659 1.315 1.00 65.34 O ATOM 921 OE2 GLU A 60 -4.021 0.720 -0.819 1.00 1.02 O ATOM 0 H GLU A 60 -5.145 4.755 -0.600 1.00 34.32 H new ATOM 0 HA GLU A 60 -7.616 4.167 0.594 1.00 72.04 H new ATOM 0 HB2 GLU A 60 -4.807 3.424 1.502 1.00 15.21 H new ATOM 0 HB3 GLU A 60 -6.286 2.608 1.968 1.00 15.21 H new ATOM 0 HG2 GLU A 60 -6.656 1.808 -0.275 1.00 43.34 H new ATOM 0 HG3 GLU A 60 -5.385 2.830 -0.918 1.00 43.34 H new ATOM 928 N GLU A 61 -5.555 5.970 2.439 1.00 2.04 N ATOM 929 CA GLU A 61 -5.482 6.826 3.618 1.00 62.22 C ATOM 930 C GLU A 61 -6.389 8.043 3.463 1.00 3.30 C ATOM 931 O GLU A 61 -6.946 8.545 4.440 1.00 35.52 O ATOM 932 CB GLU A 61 -4.040 7.277 3.859 1.00 0.50 C ATOM 933 CG GLU A 61 -3.391 7.916 2.643 1.00 44.02 C ATOM 934 CD GLU A 61 -2.482 9.074 3.007 1.00 23.11 C ATOM 935 OE1 GLU A 61 -1.296 8.826 3.308 1.00 65.12 O ATOM 936 OE2 GLU A 61 -2.958 10.229 2.991 1.00 64.50 O ATOM 0 H GLU A 61 -4.700 5.943 1.883 1.00 2.04 H new ATOM 0 HA GLU A 61 -5.822 6.248 4.477 1.00 62.22 H new ATOM 0 HB2 GLU A 61 -4.024 7.988 4.685 1.00 0.50 H new ATOM 0 HB3 GLU A 61 -3.446 6.417 4.168 1.00 0.50 H new ATOM 0 HG2 GLU A 61 -2.816 7.163 2.105 1.00 44.02 H new ATOM 0 HG3 GLU A 61 -4.168 8.268 1.964 1.00 44.02 H new ATOM 943 N LEU A 62 -6.531 8.514 2.229 1.00 2.52 N ATOM 944 CA LEU A 62 -7.369 9.674 1.945 1.00 73.12 C ATOM 945 C LEU A 62 -8.847 9.328 2.098 1.00 1.15 C ATOM 946 O LEU A 62 -9.644 10.152 2.549 1.00 63.53 O ATOM 947 CB LEU A 62 -7.099 10.189 0.530 1.00 22.10 C ATOM 948 CG LEU A 62 -7.524 11.630 0.248 1.00 43.42 C ATOM 949 CD1 LEU A 62 -6.721 12.600 1.101 1.00 42.32 C ATOM 950 CD2 LEU A 62 -7.360 11.955 -1.230 1.00 1.12 C ATOM 0 H LEU A 62 -6.077 8.111 1.409 1.00 2.52 H new ATOM 0 HA LEU A 62 -7.121 10.455 2.663 1.00 73.12 H new ATOM 0 HB2 LEU A 62 -6.031 10.101 0.330 1.00 22.10 H new ATOM 0 HB3 LEU A 62 -7.611 9.536 -0.177 1.00 22.10 H new ATOM 0 HG LEU A 62 -8.577 11.735 0.508 1.00 43.42 H new ATOM 0 HD11 LEU A 62 -7.037 13.621 0.887 1.00 42.32 H new ATOM 0 HD12 LEU A 62 -6.889 12.382 2.156 1.00 42.32 H new ATOM 0 HD13 LEU A 62 -5.661 12.493 0.873 1.00 42.32 H new ATOM 0 HD21 LEU A 62 -7.667 12.985 -1.412 1.00 1.12 H new ATOM 0 HD22 LEU A 62 -6.315 11.832 -1.516 1.00 1.12 H new ATOM 0 HD23 LEU A 62 -7.980 11.281 -1.822 1.00 1.12 H new ATOM 962 N ARG A 63 -9.205 8.104 1.723 1.00 11.54 N ATOM 963 CA ARG A 63 -10.587 7.649 1.821 1.00 43.34 C ATOM 964 C ARG A 63 -11.040 7.595 3.277 1.00 71.24 C ATOM 965 O ARG A 63 -12.186 7.916 3.594 1.00 73.44 O ATOM 966 CB ARG A 63 -10.738 6.270 1.176 1.00 13.21 C ATOM 967 CG ARG A 63 -10.876 6.317 -0.337 1.00 21.21 C ATOM 968 CD ARG A 63 -10.198 5.125 -0.995 1.00 5.41 C ATOM 969 NE ARG A 63 -10.593 3.862 -0.379 1.00 70.42 N ATOM 970 CZ ARG A 63 -10.149 2.677 -0.783 1.00 24.40 C ATOM 971 NH1 ARG A 63 -9.298 2.594 -1.797 1.00 10.23 N ATOM 972 NH2 ARG A 63 -10.555 1.571 -0.172 1.00 3.01 N ATOM 0 H ARG A 63 -8.558 7.410 1.349 1.00 11.54 H new ATOM 0 HA ARG A 63 -11.217 8.362 1.290 1.00 43.34 H new ATOM 0 HB2 ARG A 63 -9.872 5.661 1.435 1.00 13.21 H new ATOM 0 HB3 ARG A 63 -11.613 5.775 1.597 1.00 13.21 H new ATOM 0 HG2 ARG A 63 -11.932 6.331 -0.607 1.00 21.21 H new ATOM 0 HG3 ARG A 63 -10.438 7.241 -0.715 1.00 21.21 H new ATOM 0 HD2 ARG A 63 -10.449 5.105 -2.056 1.00 5.41 H new ATOM 0 HD3 ARG A 63 -9.116 5.239 -0.926 1.00 5.41 H new ATOM 0 HE ARG A 63 -11.246 3.891 0.404 1.00 70.42 H new ATOM 0 HH11 ARG A 63 -8.983 3.442 -2.269 1.00 10.23 H new ATOM 0 HH12 ARG A 63 -8.959 1.683 -2.105 1.00 10.23 H new ATOM 0 HH21 ARG A 63 -11.209 1.630 0.609 1.00 3.01 H new ATOM 0 HH22 ARG A 63 -10.213 0.662 -0.483 1.00 3.01 H new ATOM 986 N LEU A 64 -10.134 7.186 4.158 1.00 41.12 N ATOM 987 CA LEU A 64 -10.440 7.089 5.581 1.00 72.21 C ATOM 988 C LEU A 64 -10.809 8.454 6.153 1.00 21.21 C ATOM 989 O LEU A 64 -11.726 8.570 6.967 1.00 2.53 O ATOM 990 CB LEU A 64 -9.246 6.510 6.341 1.00 3.13 C ATOM 991 CG LEU A 64 -8.898 5.053 6.036 1.00 62.30 C ATOM 992 CD1 LEU A 64 -7.611 4.652 6.740 1.00 2.33 C ATOM 993 CD2 LEU A 64 -10.040 4.135 6.446 1.00 72.32 C ATOM 0 H LEU A 64 -9.182 6.916 3.912 1.00 41.12 H new ATOM 0 HA LEU A 64 -11.295 6.423 5.699 1.00 72.21 H new ATOM 0 HB2 LEU A 64 -8.372 7.124 6.126 1.00 3.13 H new ATOM 0 HB3 LEU A 64 -9.443 6.599 7.409 1.00 3.13 H new ATOM 0 HG LEU A 64 -8.746 4.954 4.961 1.00 62.30 H new ATOM 0 HD11 LEU A 64 -7.380 3.612 6.511 1.00 2.33 H new ATOM 0 HD12 LEU A 64 -6.795 5.289 6.398 1.00 2.33 H new ATOM 0 HD13 LEU A 64 -7.734 4.768 7.817 1.00 2.33 H new ATOM 0 HD21 LEU A 64 -9.775 3.102 6.222 1.00 72.32 H new ATOM 0 HD22 LEU A 64 -10.224 4.238 7.515 1.00 72.32 H new ATOM 0 HD23 LEU A 64 -10.941 4.406 5.895 1.00 72.32 H new ATOM 1005 N LEU A 65 -10.091 9.484 5.721 1.00 44.21 N ATOM 1006 CA LEU A 65 -10.343 10.843 6.188 1.00 34.22 C ATOM 1007 C LEU A 65 -11.808 11.221 5.995 1.00 15.24 C ATOM 1008 O LEU A 65 -12.557 11.367 6.963 1.00 65.41 O ATOM 1009 CB LEU A 65 -9.447 11.834 5.445 1.00 43.24 C ATOM 1010 CG LEU A 65 -8.192 12.293 6.189 1.00 54.51 C ATOM 1011 CD1 LEU A 65 -7.110 12.708 5.205 1.00 44.22 C ATOM 1012 CD2 LEU A 65 -8.523 13.439 7.135 1.00 61.31 C ATOM 0 H LEU A 65 -9.329 9.404 5.048 1.00 44.21 H new ATOM 0 HA LEU A 65 -10.113 10.883 7.253 1.00 34.22 H new ATOM 0 HB2 LEU A 65 -9.141 11.380 4.503 1.00 43.24 H new ATOM 0 HB3 LEU A 65 -10.040 12.714 5.197 1.00 43.24 H new ATOM 0 HG LEU A 65 -7.816 11.457 6.779 1.00 54.51 H new ATOM 0 HD11 LEU A 65 -6.225 13.031 5.753 1.00 44.22 H new ATOM 0 HD12 LEU A 65 -6.853 11.862 4.568 1.00 44.22 H new ATOM 0 HD13 LEU A 65 -7.475 13.529 4.588 1.00 44.22 H new ATOM 0 HD21 LEU A 65 -7.619 13.753 7.656 1.00 61.31 H new ATOM 0 HD22 LEU A 65 -8.923 14.277 6.565 1.00 61.31 H new ATOM 0 HD23 LEU A 65 -9.264 13.108 7.862 1.00 61.31 H new ATOM 1024 N THR A 66 -12.214 11.378 4.739 1.00 64.22 N ATOM 1025 CA THR A 66 -13.589 11.738 4.418 1.00 20.15 C ATOM 1026 C THR A 66 -14.560 10.652 4.867 1.00 14.34 C ATOM 1027 O THR A 66 -15.720 10.930 5.172 1.00 45.12 O ATOM 1028 CB THR A 66 -13.769 11.980 2.908 1.00 71.51 C ATOM 1029 OG1 THR A 66 -15.158 12.144 2.600 1.00 1.34 O ATOM 1030 CG2 THR A 66 -13.200 10.821 2.103 1.00 73.21 C ATOM 0 H THR A 66 -11.609 11.261 3.926 1.00 64.22 H new ATOM 0 HA THR A 66 -13.807 12.662 4.954 1.00 20.15 H new ATOM 0 HB THR A 66 -13.228 12.888 2.641 1.00 71.51 H new ATOM 0 HG1 THR A 66 -15.264 12.299 1.638 1.00 1.34 H new ATOM 0 HG21 THR A 66 -13.339 11.014 1.039 1.00 73.21 H new ATOM 0 HG22 THR A 66 -12.136 10.717 2.317 1.00 73.21 H new ATOM 0 HG23 THR A 66 -13.717 9.901 2.375 1.00 73.21 H new ATOM 1038 N GLY A 67 -14.079 9.413 4.907 1.00 53.32 N ATOM 1039 CA GLY A 67 -14.919 8.304 5.321 1.00 40.35 C ATOM 1040 C GLY A 67 -15.560 7.593 4.146 1.00 61.54 C ATOM 1041 O GLY A 67 -16.323 6.643 4.327 1.00 4.42 O ATOM 0 H GLY A 67 -13.123 9.158 4.660 1.00 53.32 H new ATOM 0 HA2 GLY A 67 -14.321 7.592 5.890 1.00 40.35 H new ATOM 0 HA3 GLY A 67 -15.698 8.672 5.988 1.00 40.35 H new ATOM 1045 N ASP A 68 -15.252 8.052 2.938 1.00 44.10 N ATOM 1046 CA ASP A 68 -15.804 7.453 1.728 1.00 5.32 C ATOM 1047 C ASP A 68 -14.741 6.647 0.988 1.00 72.04 C ATOM 1048 O ASP A 68 -13.779 7.205 0.461 1.00 51.44 O ATOM 1049 CB ASP A 68 -16.371 8.537 0.810 1.00 0.12 C ATOM 1050 CG ASP A 68 -17.603 8.072 0.058 1.00 4.43 C ATOM 1051 OD1 ASP A 68 -18.610 7.742 0.718 1.00 70.44 O ATOM 1052 OD2 ASP A 68 -17.559 8.039 -1.190 1.00 21.35 O ATOM 0 H ASP A 68 -14.623 8.837 2.770 1.00 44.10 H new ATOM 0 HA ASP A 68 -16.609 6.778 2.020 1.00 5.32 H new ATOM 0 HB2 ASP A 68 -16.621 9.417 1.403 1.00 0.12 H new ATOM 0 HB3 ASP A 68 -15.606 8.841 0.096 1.00 0.12 H new ATOM 1057 N SER A 69 -14.922 5.331 0.953 1.00 60.40 N ATOM 1058 CA SER A 69 -13.977 4.447 0.281 1.00 25.44 C ATOM 1059 C SER A 69 -14.022 4.650 -1.230 1.00 0.10 C ATOM 1060 O SER A 69 -13.051 4.374 -1.936 1.00 32.14 O ATOM 1061 CB SER A 69 -14.282 2.986 0.620 1.00 12.32 C ATOM 1062 OG SER A 69 -13.595 2.106 -0.252 1.00 74.13 O ATOM 0 H SER A 69 -15.714 4.853 1.382 1.00 60.40 H new ATOM 0 HA SER A 69 -12.975 4.693 0.633 1.00 25.44 H new ATOM 0 HB2 SER A 69 -13.993 2.781 1.651 1.00 12.32 H new ATOM 0 HB3 SER A 69 -15.355 2.809 0.549 1.00 12.32 H new ATOM 0 HG SER A 69 -13.805 1.179 -0.014 1.00 74.13 H new ATOM 1068 N THR A 70 -15.158 5.136 -1.722 1.00 22.44 N ATOM 1069 CA THR A 70 -15.332 5.376 -3.148 1.00 72.45 C ATOM 1070 C THR A 70 -14.446 6.520 -3.626 1.00 24.10 C ATOM 1071 O THR A 70 -14.230 6.693 -4.826 1.00 55.04 O ATOM 1072 CB THR A 70 -16.799 5.702 -3.488 1.00 61.52 C ATOM 1073 OG1 THR A 70 -17.675 5.012 -2.590 1.00 22.34 O ATOM 1074 CG2 THR A 70 -17.123 5.308 -4.922 1.00 4.44 C ATOM 0 H THR A 70 -15.971 5.371 -1.153 1.00 22.44 H new ATOM 0 HA THR A 70 -15.043 4.458 -3.660 1.00 72.45 H new ATOM 0 HB THR A 70 -16.943 6.777 -3.382 1.00 61.52 H new ATOM 0 HG1 THR A 70 -18.605 5.226 -2.812 1.00 22.34 H new ATOM 0 HG21 THR A 70 -18.164 5.548 -5.139 1.00 4.44 H new ATOM 0 HG22 THR A 70 -16.474 5.856 -5.605 1.00 4.44 H new ATOM 0 HG23 THR A 70 -16.963 4.237 -5.050 1.00 4.44 H new ATOM 1082 N LEU A 71 -13.932 7.299 -2.680 1.00 75.21 N ATOM 1083 CA LEU A 71 -13.067 8.428 -3.004 1.00 71.44 C ATOM 1084 C LEU A 71 -11.825 7.963 -3.758 1.00 21.33 C ATOM 1085 O LEU A 71 -10.979 7.261 -3.204 1.00 43.53 O ATOM 1086 CB LEU A 71 -12.658 9.165 -1.728 1.00 64.22 C ATOM 1087 CG LEU A 71 -11.813 10.425 -1.923 1.00 31.35 C ATOM 1088 CD1 LEU A 71 -12.176 11.476 -0.885 1.00 72.13 C ATOM 1089 CD2 LEU A 71 -10.331 10.090 -1.849 1.00 25.44 C ATOM 0 H LEU A 71 -14.099 7.169 -1.682 1.00 75.21 H new ATOM 0 HA LEU A 71 -13.625 9.110 -3.646 1.00 71.44 H new ATOM 0 HB2 LEU A 71 -13.562 9.439 -1.184 1.00 64.22 H new ATOM 0 HB3 LEU A 71 -12.102 8.473 -1.095 1.00 64.22 H new ATOM 0 HG LEU A 71 -12.024 10.832 -2.912 1.00 31.35 H new ATOM 0 HD11 LEU A 71 -11.565 12.366 -1.039 1.00 72.13 H new ATOM 0 HD12 LEU A 71 -13.229 11.738 -0.985 1.00 72.13 H new ATOM 0 HD13 LEU A 71 -11.994 11.079 0.114 1.00 72.13 H new ATOM 0 HD21 LEU A 71 -9.745 10.998 -1.990 1.00 25.44 H new ATOM 0 HD22 LEU A 71 -10.104 9.659 -0.874 1.00 25.44 H new ATOM 0 HD23 LEU A 71 -10.081 9.372 -2.630 1.00 25.44 H new ATOM 1101 N GLU A 72 -11.722 8.360 -5.022 1.00 54.21 N ATOM 1102 CA GLU A 72 -10.582 7.985 -5.850 1.00 73.31 C ATOM 1103 C GLU A 72 -10.043 9.191 -6.613 1.00 54.24 C ATOM 1104 O GLU A 72 -10.796 10.096 -6.975 1.00 42.35 O ATOM 1105 CB GLU A 72 -10.979 6.881 -6.833 1.00 40.20 C ATOM 1106 CG GLU A 72 -11.756 5.745 -6.191 1.00 32.53 C ATOM 1107 CD GLU A 72 -11.302 4.381 -6.675 1.00 34.04 C ATOM 1108 OE1 GLU A 72 -11.162 4.205 -7.903 1.00 73.51 O ATOM 1109 OE2 GLU A 72 -11.088 3.491 -5.826 1.00 23.32 O ATOM 0 H GLU A 72 -12.414 8.941 -5.495 1.00 54.21 H new ATOM 0 HA GLU A 72 -9.796 7.612 -5.194 1.00 73.31 H new ATOM 0 HB2 GLU A 72 -11.581 7.316 -7.631 1.00 40.20 H new ATOM 0 HB3 GLU A 72 -10.079 6.478 -7.296 1.00 40.20 H new ATOM 0 HG2 GLU A 72 -11.642 5.798 -5.108 1.00 32.53 H new ATOM 0 HG3 GLU A 72 -12.817 5.868 -6.407 1.00 32.53 H new ATOM 1116 N ILE A 73 -8.737 9.196 -6.853 1.00 44.53 N ATOM 1117 CA ILE A 73 -8.097 10.291 -7.573 1.00 71.45 C ATOM 1118 C ILE A 73 -7.716 9.869 -8.988 1.00 65.33 C ATOM 1119 O ILE A 73 -7.137 8.802 -9.193 1.00 42.10 O ATOM 1120 CB ILE A 73 -6.837 10.786 -6.840 1.00 43.52 C ATOM 1121 CG1 ILE A 73 -7.195 11.265 -5.432 1.00 23.14 C ATOM 1122 CG2 ILE A 73 -6.169 11.902 -7.630 1.00 64.35 C ATOM 1123 CD1 ILE A 73 -6.004 11.762 -4.642 1.00 33.14 C ATOM 0 H ILE A 73 -8.101 8.455 -6.560 1.00 44.53 H new ATOM 0 HA ILE A 73 -8.822 11.104 -7.621 1.00 71.45 H new ATOM 0 HB ILE A 73 -6.135 9.957 -6.754 1.00 43.52 H new ATOM 0 HG12 ILE A 73 -7.932 12.065 -5.505 1.00 23.14 H new ATOM 0 HG13 ILE A 73 -7.666 10.447 -4.887 1.00 23.14 H new ATOM 0 HG21 ILE A 73 -5.280 12.242 -7.099 1.00 64.35 H new ATOM 0 HG22 ILE A 73 -5.884 11.531 -8.615 1.00 64.35 H new ATOM 0 HG23 ILE A 73 -6.864 12.734 -7.743 1.00 64.35 H new ATOM 0 HD11 ILE A 73 -6.332 12.086 -3.654 1.00 33.14 H new ATOM 0 HD12 ILE A 73 -5.276 10.958 -4.537 1.00 33.14 H new ATOM 0 HD13 ILE A 73 -5.545 12.601 -5.165 1.00 33.14 H new ATOM 1135 N GLN A 74 -8.042 10.714 -9.960 1.00 54.14 N ATOM 1136 CA GLN A 74 -7.733 10.429 -11.356 1.00 64.24 C ATOM 1137 C GLN A 74 -7.009 11.604 -12.005 1.00 1.54 C ATOM 1138 O GLN A 74 -7.156 12.757 -11.597 1.00 31.23 O ATOM 1139 CB GLN A 74 -9.013 10.113 -12.131 1.00 14.32 C ATOM 1140 CG GLN A 74 -9.955 9.176 -11.393 1.00 15.04 C ATOM 1141 CD GLN A 74 -10.737 8.277 -12.330 1.00 21.41 C ATOM 1142 OE1 GLN A 74 -11.250 8.725 -13.356 1.00 2.35 O ATOM 1143 NE2 GLN A 74 -10.832 6.998 -11.982 1.00 44.54 N ATOM 0 H GLN A 74 -8.520 11.602 -9.807 1.00 54.14 H new ATOM 0 HA GLN A 74 -7.076 9.560 -11.385 1.00 64.24 H new ATOM 0 HB2 GLN A 74 -9.536 11.044 -12.347 1.00 14.32 H new ATOM 0 HB3 GLN A 74 -8.747 9.667 -13.089 1.00 14.32 H new ATOM 0 HG2 GLN A 74 -9.380 8.561 -10.701 1.00 15.04 H new ATOM 0 HG3 GLN A 74 -10.651 9.764 -10.795 1.00 15.04 H new ATOM 0 HE21 GLN A 74 -10.391 6.669 -11.123 1.00 44.54 H new ATOM 0 HE22 GLN A 74 -11.346 6.345 -12.574 1.00 44.54 H new ATOM 1152 N PRO A 75 -6.207 11.309 -13.039 1.00 15.22 N ATOM 1153 CA PRO A 75 -5.445 12.329 -13.766 1.00 21.45 C ATOM 1154 C PRO A 75 -6.341 13.242 -14.595 1.00 35.14 C ATOM 1155 O PRO A 75 -6.826 12.853 -15.657 1.00 13.32 O ATOM 1156 CB PRO A 75 -4.531 11.505 -14.677 1.00 12.40 C ATOM 1157 CG PRO A 75 -5.248 10.213 -14.865 1.00 11.04 C ATOM 1158 CD PRO A 75 -5.984 9.957 -13.579 1.00 14.54 C ATOM 0 HA PRO A 75 -4.909 12.996 -13.091 1.00 21.45 H new ATOM 0 HB2 PRO A 75 -4.365 12.008 -15.630 1.00 12.40 H new ATOM 0 HB3 PRO A 75 -3.552 11.352 -14.222 1.00 12.40 H new ATOM 0 HG2 PRO A 75 -5.939 10.269 -15.706 1.00 11.04 H new ATOM 0 HG3 PRO A 75 -4.548 9.406 -15.081 1.00 11.04 H new ATOM 0 HD2 PRO A 75 -6.924 9.433 -13.751 1.00 14.54 H new ATOM 0 HD3 PRO A 75 -5.397 9.343 -12.896 1.00 14.54 H new ATOM 1166 N MET A 76 -6.557 14.457 -14.102 1.00 52.32 N ATOM 1167 CA MET A 76 -7.395 15.426 -14.800 1.00 3.34 C ATOM 1168 C MET A 76 -6.916 15.625 -16.234 1.00 53.53 C ATOM 1169 O MET A 76 -5.742 15.908 -16.473 1.00 24.41 O ATOM 1170 CB MET A 76 -7.390 16.764 -14.058 1.00 3.24 C ATOM 1171 CG MET A 76 -8.065 17.888 -14.827 1.00 5.30 C ATOM 1172 SD MET A 76 -8.497 19.288 -13.775 1.00 63.24 S ATOM 1173 CE MET A 76 -9.142 20.436 -14.989 1.00 11.42 C ATOM 0 H MET A 76 -6.164 14.794 -13.223 1.00 52.32 H new ATOM 0 HA MET A 76 -8.413 15.037 -14.826 1.00 3.34 H new ATOM 0 HB2 MET A 76 -7.891 16.640 -13.098 1.00 3.24 H new ATOM 0 HB3 MET A 76 -6.359 17.048 -13.845 1.00 3.24 H new ATOM 0 HG2 MET A 76 -7.402 18.228 -15.623 1.00 5.30 H new ATOM 0 HG3 MET A 76 -8.967 17.506 -15.305 1.00 5.30 H new ATOM 0 HE1 MET A 76 -9.453 21.355 -14.492 1.00 11.42 H new ATOM 0 HE2 MET A 76 -8.368 20.664 -15.722 1.00 11.42 H new ATOM 0 HE3 MET A 76 -9.999 19.989 -15.493 1.00 11.42 H new ATOM 1183 N ILE A 77 -7.833 15.477 -17.185 1.00 24.41 N ATOM 1184 CA ILE A 77 -7.503 15.641 -18.595 1.00 52.12 C ATOM 1185 C ILE A 77 -7.544 17.110 -19.002 1.00 10.45 C ATOM 1186 O ILE A 77 -8.526 17.809 -18.749 1.00 21.45 O ATOM 1187 CB ILE A 77 -8.466 14.844 -19.495 1.00 14.41 C ATOM 1188 CG1 ILE A 77 -8.566 13.395 -19.015 1.00 64.12 C ATOM 1189 CG2 ILE A 77 -8.005 14.898 -20.944 1.00 5.25 C ATOM 1190 CD1 ILE A 77 -9.512 12.549 -19.838 1.00 51.43 C ATOM 0 H ILE A 77 -8.809 15.244 -17.004 1.00 24.41 H new ATOM 0 HA ILE A 77 -6.492 15.257 -18.729 1.00 52.12 H new ATOM 0 HB ILE A 77 -9.456 15.296 -19.433 1.00 14.41 H new ATOM 0 HG12 ILE A 77 -7.574 12.944 -19.039 1.00 64.12 H new ATOM 0 HG13 ILE A 77 -8.895 13.387 -17.976 1.00 64.12 H new ATOM 0 HG21 ILE A 77 -8.696 14.330 -21.567 1.00 5.25 H new ATOM 0 HG22 ILE A 77 -7.982 15.935 -21.280 1.00 5.25 H new ATOM 0 HG23 ILE A 77 -7.007 14.468 -21.024 1.00 5.25 H new ATOM 0 HD11 ILE A 77 -9.532 11.534 -19.440 1.00 51.43 H new ATOM 0 HD12 ILE A 77 -10.514 12.976 -19.794 1.00 51.43 H new ATOM 0 HD13 ILE A 77 -9.172 12.526 -20.873 1.00 51.43 H new