USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 454 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 21 ASN : amide:sc= -2.58 K(o=-5.9,f=-2.5) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.36 K(o=-5.9,f=-11!) USER MOD Set 2.1: A 26 GLN : amide:sc= -5.46! C(o=-12!,f=-21!) USER MOD Set 2.2: A 55 GLN : amide:sc= -6.3! C(o=-12!,f=-10!) USER MOD Single : A 1 VAL N :NH3+ 172:sc= -0.739 (180deg=-0.789) USER MOD Single : A 3 ASN : amide:sc= 0.171 K(o=0.17,f=-2.9!) USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= -0.347 (180deg=-0.608) USER MOD Single : A 6 ASN : amide:sc= -0.711 K(o=-0.71,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -0.728 (180deg=-3.71!) USER MOD Single : A 13 THR OG1 : rot 103:sc= 0.957 USER MOD Single : A 18 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.32) USER MOD Single : A 23 ASN : amide:sc= -3 K(o=-3,f=-0.0025) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 71:sc= 1 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.078) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 43 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.17) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= -0.589 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 21.631 -14.199 2.909 1.00 0.00 N ATOM 2 CA VAL A 1 20.729 -14.136 4.098 1.00 0.00 C ATOM 3 C VAL A 1 19.373 -14.747 3.742 1.00 0.00 C ATOM 4 O VAL A 1 19.094 -15.027 2.573 1.00 0.00 O ATOM 5 CB VAL A 1 20.554 -12.671 4.547 1.00 0.00 C ATOM 6 CG1 VAL A 1 21.890 -12.124 5.071 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.077 -11.807 3.368 1.00 0.00 C ATOM 0 H1 VAL A 1 22.502 -13.665 3.105 1.00 0.00 H new ATOM 0 H2 VAL A 1 21.871 -15.191 2.707 1.00 0.00 H new ATOM 0 H3 VAL A 1 21.149 -13.785 2.086 1.00 0.00 H new ATOM 0 HA VAL A 1 21.170 -14.702 4.919 1.00 0.00 H new ATOM 0 HB VAL A 1 19.808 -12.636 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 1 21.761 -11.089 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 1 22.221 -12.723 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 1 22.638 -12.171 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 1 19.957 -10.775 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 1 20.813 -11.848 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.122 -12.184 3.003 1.00 0.00 H new ATOM 19 N ASP A 2 18.536 -14.946 4.760 1.00 0.00 N ATOM 20 CA ASP A 2 17.204 -15.522 4.561 1.00 0.00 C ATOM 21 C ASP A 2 16.261 -14.505 3.916 1.00 0.00 C ATOM 22 O ASP A 2 16.536 -13.302 3.916 1.00 0.00 O ATOM 23 CB ASP A 2 16.629 -15.974 5.911 1.00 0.00 C ATOM 24 CG ASP A 2 16.383 -14.763 6.814 1.00 0.00 C ATOM 25 OD1 ASP A 2 17.338 -14.284 7.406 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.246 -14.325 6.892 1.00 0.00 O ATOM 0 H ASP A 2 18.755 -14.718 5.730 1.00 0.00 H new ATOM 0 HA ASP A 2 17.296 -16.380 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.696 -16.515 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.320 -16.664 6.396 1.00 0.00 H new ATOM 31 N ASN A 3 15.144 -15.002 3.381 1.00 0.00 N ATOM 32 CA ASN A 3 14.148 -14.144 2.741 1.00 0.00 C ATOM 33 C ASN A 3 12.999 -13.855 3.708 1.00 0.00 C ATOM 34 O ASN A 3 12.328 -14.776 4.182 1.00 0.00 O ATOM 35 CB ASN A 3 13.612 -14.814 1.466 1.00 0.00 C ATOM 36 CG ASN A 3 13.028 -16.193 1.782 1.00 0.00 C ATOM 37 OD1 ASN A 3 13.759 -17.107 2.161 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.745 -16.393 1.653 1.00 0.00 N ATOM 0 H ASN A 3 14.908 -15.994 3.379 1.00 0.00 H new ATOM 0 HA ASN A 3 14.622 -13.201 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.846 -14.185 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.416 -14.913 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.347 -17.308 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.140 -15.635 1.339 1.00 0.00 H new ATOM 45 N LYS A 4 12.784 -12.570 3.997 1.00 0.00 N ATOM 46 CA LYS A 4 11.719 -12.153 4.910 1.00 0.00 C ATOM 47 C LYS A 4 10.559 -11.551 4.124 1.00 0.00 C ATOM 48 O LYS A 4 10.742 -10.596 3.364 1.00 0.00 O ATOM 49 CB LYS A 4 12.269 -11.122 5.905 1.00 0.00 C ATOM 50 CG LYS A 4 13.375 -11.772 6.747 1.00 0.00 C ATOM 51 CD LYS A 4 13.876 -10.785 7.809 1.00 0.00 C ATOM 52 CE LYS A 4 15.056 -11.400 8.571 1.00 0.00 C ATOM 53 NZ LYS A 4 16.205 -11.598 7.640 1.00 0.00 N ATOM 0 H LYS A 4 13.333 -11.801 3.612 1.00 0.00 H new ATOM 0 HA LYS A 4 11.357 -13.023 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.663 -10.258 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.469 -10.760 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.995 -12.674 7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.201 -12.077 6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.183 -9.852 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.070 -10.542 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.350 -10.748 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.762 -12.354 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.573 -12.565 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.888 -11.451 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.957 -10.916 7.866 1.00 0.00 H new ATOM 67 N PHE A 5 9.367 -12.121 4.310 1.00 0.00 N ATOM 68 CA PHE A 5 8.175 -11.643 3.612 1.00 0.00 C ATOM 69 C PHE A 5 7.726 -10.293 4.165 1.00 0.00 C ATOM 70 O PHE A 5 7.127 -9.486 3.455 1.00 0.00 O ATOM 71 CB PHE A 5 7.037 -12.669 3.742 1.00 0.00 C ATOM 72 CG PHE A 5 6.541 -12.722 5.175 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.201 -13.520 6.120 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.422 -11.969 5.557 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.741 -13.564 7.441 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.964 -12.014 6.878 1.00 0.00 C ATOM 77 CZ PHE A 5 5.624 -12.811 7.820 1.00 0.00 C ATOM 0 H PHE A 5 9.203 -12.910 4.935 1.00 0.00 H new ATOM 0 HA PHE A 5 8.424 -11.518 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.217 -12.400 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.388 -13.654 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.064 -14.100 5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.913 -11.353 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.249 -14.180 8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.101 -11.434 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.271 -12.845 8.840 1.00 0.00 H new ATOM 87 N ASN A 6 8.032 -10.076 5.442 1.00 0.00 N ATOM 88 CA ASN A 6 7.677 -8.837 6.136 1.00 0.00 C ATOM 89 C ASN A 6 8.227 -7.617 5.404 1.00 0.00 C ATOM 90 O ASN A 6 7.658 -6.526 5.478 1.00 0.00 O ATOM 91 CB ASN A 6 8.232 -8.861 7.559 1.00 0.00 C ATOM 92 CG ASN A 6 7.624 -10.021 8.339 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.298 -11.018 8.602 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.381 -9.952 8.730 1.00 0.00 N ATOM 0 H ASN A 6 8.530 -10.749 6.024 1.00 0.00 H new ATOM 0 HA ASN A 6 6.590 -8.767 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.317 -8.959 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.009 -7.919 8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.967 -10.724 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.823 -9.126 8.512 1.00 0.00 H new ATOM 101 N LYS A 7 9.345 -7.813 4.707 1.00 0.00 N ATOM 102 CA LYS A 7 9.990 -6.738 3.965 1.00 0.00 C ATOM 103 C LYS A 7 9.019 -6.091 2.982 1.00 0.00 C ATOM 104 O LYS A 7 8.987 -4.870 2.840 1.00 0.00 O ATOM 105 CB LYS A 7 11.186 -7.318 3.207 1.00 0.00 C ATOM 106 CG LYS A 7 11.960 -6.208 2.482 1.00 0.00 C ATOM 107 CD LYS A 7 13.120 -6.828 1.692 1.00 0.00 C ATOM 108 CE LYS A 7 12.592 -7.503 0.414 1.00 0.00 C ATOM 109 NZ LYS A 7 12.148 -8.893 0.723 1.00 0.00 N ATOM 0 H LYS A 7 9.823 -8.712 4.642 1.00 0.00 H new ATOM 0 HA LYS A 7 10.320 -5.970 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.848 -7.835 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.841 -8.058 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.296 -5.666 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.342 -5.485 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.845 -6.057 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.640 -7.560 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.761 -6.928 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.372 -7.521 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.546 -9.549 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.479 -9.160 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.110 -8.941 0.692 1.00 0.00 H new ATOM 123 N GLU A 8 8.239 -6.930 2.315 1.00 0.00 N ATOM 124 CA GLU A 8 7.261 -6.464 1.330 1.00 0.00 C ATOM 125 C GLU A 8 6.186 -5.594 1.968 1.00 0.00 C ATOM 126 O GLU A 8 5.657 -4.681 1.332 1.00 0.00 O ATOM 127 CB GLU A 8 6.597 -7.654 0.624 1.00 0.00 C ATOM 128 CG GLU A 8 7.629 -8.402 -0.232 1.00 0.00 C ATOM 129 CD GLU A 8 8.213 -9.577 0.549 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.627 -10.644 0.495 1.00 0.00 O ATOM 131 OE2 GLU A 8 9.235 -9.393 1.189 1.00 0.00 O ATOM 0 H GLU A 8 8.262 -7.943 2.436 1.00 0.00 H new ATOM 0 HA GLU A 8 7.804 -5.862 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.166 -8.331 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.778 -7.304 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.160 -8.762 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.427 -7.721 -0.529 1.00 0.00 H new ATOM 138 N LEU A 9 5.858 -5.893 3.215 1.00 0.00 N ATOM 139 CA LEU A 9 4.830 -5.138 3.923 1.00 0.00 C ATOM 140 C LEU A 9 5.303 -3.727 4.205 1.00 0.00 C ATOM 141 O LEU A 9 4.535 -2.778 4.067 1.00 0.00 O ATOM 142 CB LEU A 9 4.450 -5.822 5.247 1.00 0.00 C ATOM 143 CG LEU A 9 3.680 -7.122 4.975 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.607 -8.147 4.315 1.00 0.00 C ATOM 145 CD2 LEU A 9 3.146 -7.689 6.298 1.00 0.00 C ATOM 0 H LEU A 9 6.283 -6.646 3.756 1.00 0.00 H new ATOM 0 HA LEU A 9 3.950 -5.103 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.349 -6.038 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.839 -5.149 5.849 1.00 0.00 H new ATOM 0 HG LEU A 9 2.845 -6.911 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.055 -9.067 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.980 -7.746 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.446 -8.358 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.599 -8.612 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.980 -7.895 6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.479 -6.963 6.762 1.00 0.00 H new ATOM 157 N GLY A 10 6.581 -3.585 4.556 1.00 0.00 N ATOM 158 CA GLY A 10 7.140 -2.272 4.809 1.00 0.00 C ATOM 159 C GLY A 10 7.352 -1.595 3.481 1.00 0.00 C ATOM 160 O GLY A 10 7.253 -0.374 3.358 1.00 0.00 O ATOM 0 H GLY A 10 7.237 -4.358 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.467 -1.685 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.083 -2.357 5.349 1.00 0.00 H new ATOM 164 N TRP A 11 7.643 -2.434 2.487 1.00 0.00 N ATOM 165 CA TRP A 11 7.887 -1.980 1.145 1.00 0.00 C ATOM 166 C TRP A 11 6.660 -1.310 0.551 1.00 0.00 C ATOM 167 O TRP A 11 6.729 -0.182 0.070 1.00 0.00 O ATOM 168 CB TRP A 11 8.264 -3.181 0.282 1.00 0.00 C ATOM 169 CG TRP A 11 8.903 -2.693 -0.953 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.128 -2.161 -0.995 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.383 -2.674 -2.305 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.407 -1.796 -2.301 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.359 -2.104 -3.149 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.170 -3.094 -2.871 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.142 -1.956 -4.517 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.944 -2.948 -4.248 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.928 -2.380 -5.072 1.00 0.00 C ATOM 0 H TRP A 11 7.713 -3.445 2.604 1.00 0.00 H new ATOM 0 HA TRP A 11 8.695 -1.248 1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.943 -3.838 0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.377 -3.767 0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.790 -2.036 -0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.277 -1.355 -2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.407 -3.532 -2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.904 -1.518 -5.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.008 -3.274 -4.676 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.749 -2.270 -6.131 1.00 0.00 H new ATOM 188 N ALA A 12 5.534 -2.010 0.592 1.00 0.00 N ATOM 189 CA ALA A 12 4.305 -1.463 0.051 1.00 0.00 C ATOM 190 C ALA A 12 3.786 -0.311 0.898 1.00 0.00 C ATOM 191 O ALA A 12 3.156 0.603 0.382 1.00 0.00 O ATOM 192 CB ALA A 12 3.241 -2.537 -0.078 1.00 0.00 C ATOM 0 H ALA A 12 5.450 -2.946 0.990 1.00 0.00 H new ATOM 0 HA ALA A 12 4.534 -1.078 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.330 -2.099 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.596 -3.323 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.031 -2.961 0.904 1.00 0.00 H new ATOM 198 N THR A 13 4.040 -0.360 2.203 1.00 0.00 N ATOM 199 CA THR A 13 3.553 0.693 3.085 1.00 0.00 C ATOM 200 C THR A 13 4.124 2.018 2.654 1.00 0.00 C ATOM 201 O THR A 13 3.385 2.986 2.508 1.00 0.00 O ATOM 202 CB THR A 13 3.920 0.412 4.552 1.00 0.00 C ATOM 203 OG1 THR A 13 3.263 -0.770 4.979 1.00 0.00 O ATOM 204 CG2 THR A 13 3.488 1.587 5.450 1.00 0.00 C ATOM 0 H THR A 13 4.568 -1.101 2.664 1.00 0.00 H new ATOM 0 HA THR A 13 2.466 0.722 3.014 1.00 0.00 H new ATOM 0 HB THR A 13 5.000 0.289 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.903 -1.512 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.755 1.372 6.485 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.993 2.497 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.409 1.725 5.375 1.00 0.00 H new ATOM 212 N TRP A 14 5.431 2.041 2.424 1.00 0.00 N ATOM 213 CA TRP A 14 6.091 3.254 1.988 1.00 0.00 C ATOM 214 C TRP A 14 5.684 3.600 0.542 1.00 0.00 C ATOM 215 O TRP A 14 5.494 4.773 0.229 1.00 0.00 O ATOM 216 CB TRP A 14 7.614 3.124 2.213 1.00 0.00 C ATOM 217 CG TRP A 14 8.287 2.350 1.130 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.888 1.156 1.306 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.467 2.694 -0.267 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.373 0.719 0.093 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.138 1.630 -0.904 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.097 3.803 -1.042 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.422 1.664 -2.255 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.383 3.839 -2.403 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.039 2.770 -3.006 1.00 0.00 C ATOM 0 H TRP A 14 6.048 1.236 2.533 1.00 0.00 H new ATOM 0 HA TRP A 14 5.767 4.105 2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.056 4.119 2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.796 2.637 3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.975 0.629 2.244 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.848 -0.173 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.587 4.635 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.937 0.839 -2.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.096 4.697 -2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.252 2.800 -4.064 1.00 0.00 H new ATOM 236 N GLU A 15 5.515 2.579 -0.328 1.00 0.00 N ATOM 237 CA GLU A 15 5.105 2.806 -1.721 1.00 0.00 C ATOM 238 C GLU A 15 3.775 3.541 -1.787 1.00 0.00 C ATOM 239 O GLU A 15 3.616 4.528 -2.508 1.00 0.00 O ATOM 240 CB GLU A 15 4.878 1.446 -2.377 1.00 0.00 C ATOM 241 CG GLU A 15 6.187 0.750 -2.726 1.00 0.00 C ATOM 242 CD GLU A 15 6.733 1.229 -4.082 1.00 0.00 C ATOM 243 OE1 GLU A 15 6.288 2.258 -4.575 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.606 0.563 -4.604 1.00 0.00 O ATOM 0 H GLU A 15 5.657 1.598 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 15 5.880 3.391 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.300 0.812 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.285 1.576 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.923 0.945 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.031 -0.328 -2.755 1.00 0.00 H new ATOM 251 N ILE A 16 2.841 3.035 -1.015 1.00 0.00 N ATOM 252 CA ILE A 16 1.501 3.586 -0.923 1.00 0.00 C ATOM 253 C ILE A 16 1.572 4.944 -0.256 1.00 0.00 C ATOM 254 O ILE A 16 0.969 5.910 -0.706 1.00 0.00 O ATOM 255 CB ILE A 16 0.686 2.562 -0.132 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.703 1.277 -0.972 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.764 3.027 0.131 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.032 0.149 -0.213 1.00 0.00 C ATOM 0 H ILE A 16 2.989 2.217 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 16 1.028 3.751 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 16 1.122 2.414 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.189 1.445 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.731 1.004 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.295 2.261 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.750 3.955 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.271 3.194 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.050 -0.758 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.564 -0.028 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.001 0.420 0.004 1.00 0.00 H new ATOM 270 N PHE A 17 2.361 5.004 0.796 1.00 0.00 N ATOM 271 CA PHE A 17 2.571 6.255 1.521 1.00 0.00 C ATOM 272 C PHE A 17 3.285 7.294 0.652 1.00 0.00 C ATOM 273 O PHE A 17 3.232 8.491 0.941 1.00 0.00 O ATOM 274 CB PHE A 17 3.421 5.995 2.766 1.00 0.00 C ATOM 275 CG PHE A 17 2.581 5.963 4.025 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.511 6.861 4.213 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.883 5.023 5.015 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.759 6.803 5.392 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.133 4.972 6.189 1.00 0.00 C ATOM 280 CZ PHE A 17 1.071 5.862 6.382 1.00 0.00 C ATOM 0 H PHE A 17 2.871 4.205 1.174 1.00 0.00 H new ATOM 0 HA PHE A 17 1.591 6.643 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.946 5.046 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.181 6.771 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.273 7.589 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.701 4.333 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.065 7.486 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.372 4.244 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.492 5.824 7.293 1.00 0.00 H new ATOM 290 N ASN A 18 3.955 6.830 -0.405 1.00 0.00 N ATOM 291 CA ASN A 18 4.684 7.725 -1.302 1.00 0.00 C ATOM 292 C ASN A 18 3.748 8.301 -2.356 1.00 0.00 C ATOM 293 O ASN A 18 4.195 8.902 -3.337 1.00 0.00 O ATOM 294 CB ASN A 18 5.848 6.973 -1.971 1.00 0.00 C ATOM 295 CG ASN A 18 7.105 7.060 -1.103 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.215 7.142 -1.628 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.998 7.044 0.198 1.00 0.00 N ATOM 0 H ASN A 18 4.007 5.844 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 18 5.091 8.549 -0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.575 5.929 -2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.047 7.398 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.834 7.099 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.078 6.976 0.633 1.00 0.00 H new ATOM 304 N LEU A 19 2.445 8.133 -2.134 1.00 0.00 N ATOM 305 CA LEU A 19 1.459 8.652 -3.053 1.00 0.00 C ATOM 306 C LEU A 19 1.178 10.095 -2.712 1.00 0.00 C ATOM 307 O LEU A 19 0.871 10.412 -1.560 1.00 0.00 O ATOM 308 CB LEU A 19 0.174 7.834 -2.981 1.00 0.00 C ATOM 309 CG LEU A 19 0.372 6.477 -3.671 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.976 5.842 -3.960 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.104 6.647 -4.994 1.00 0.00 C ATOM 0 H LEU A 19 2.059 7.643 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 19 1.846 8.584 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.112 7.683 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.640 8.379 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 19 0.958 5.846 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.827 4.880 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.516 5.694 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.554 6.496 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.234 5.673 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.523 7.294 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.081 7.096 -4.814 1.00 0.00 H new ATOM 323 N PRO A 20 1.323 10.985 -3.661 1.00 0.00 N ATOM 324 CA PRO A 20 1.130 12.417 -3.399 1.00 0.00 C ATOM 325 C PRO A 20 -0.322 12.860 -3.190 1.00 0.00 C ATOM 326 O PRO A 20 -0.555 14.063 -3.040 1.00 0.00 O ATOM 327 CB PRO A 20 1.738 13.133 -4.620 1.00 0.00 C ATOM 328 CG PRO A 20 2.255 12.073 -5.539 1.00 0.00 C ATOM 329 CD PRO A 20 1.687 10.739 -5.066 1.00 0.00 C ATOM 0 HA PRO A 20 1.608 12.668 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.988 13.745 -5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.542 13.802 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.953 12.276 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.345 12.052 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.820 10.442 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.422 9.939 -5.154 1.00 0.00 H new ATOM 337 N ASN A 21 -1.308 11.939 -3.198 1.00 0.00 N ATOM 338 CA ASN A 21 -2.691 12.371 -3.031 1.00 0.00 C ATOM 339 C ASN A 21 -3.410 11.577 -1.936 1.00 0.00 C ATOM 340 O ASN A 21 -4.572 11.857 -1.642 1.00 0.00 O ATOM 341 CB ASN A 21 -3.425 12.237 -4.369 1.00 0.00 C ATOM 342 CG ASN A 21 -2.641 12.923 -5.489 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.192 14.057 -5.333 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.460 12.300 -6.619 1.00 0.00 N ATOM 0 H ASN A 21 -1.172 10.935 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.691 13.414 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.564 11.183 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.418 12.679 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.946 12.753 -7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.833 11.359 -6.748 1.00 0.00 H new ATOM 351 N LEU A 22 -2.727 10.600 -1.324 1.00 0.00 N ATOM 352 CA LEU A 22 -3.341 9.805 -0.263 1.00 0.00 C ATOM 353 C LEU A 22 -3.463 10.560 1.046 1.00 0.00 C ATOM 354 O LEU A 22 -2.805 11.577 1.281 1.00 0.00 O ATOM 355 CB LEU A 22 -2.503 8.570 0.048 1.00 0.00 C ATOM 356 CG LEU A 22 -2.582 7.526 -1.061 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.864 6.251 -0.593 1.00 0.00 C ATOM 358 CD2 LEU A 22 -4.041 7.195 -1.362 1.00 0.00 C ATOM 0 H LEU A 22 -1.764 10.347 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.330 9.547 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.464 8.865 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.843 8.129 0.985 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.110 7.917 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.914 5.496 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.821 6.480 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.347 5.871 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.089 6.449 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.517 6.801 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.560 8.098 -1.682 1.00 0.00 H new ATOM 370 N ASN A 23 -4.275 9.969 1.911 1.00 0.00 N ATOM 371 CA ASN A 23 -4.497 10.448 3.256 1.00 0.00 C ATOM 372 C ASN A 23 -4.113 9.309 4.196 1.00 0.00 C ATOM 373 O ASN A 23 -4.230 8.139 3.819 1.00 0.00 O ATOM 374 CB ASN A 23 -5.970 10.823 3.447 1.00 0.00 C ATOM 375 CG ASN A 23 -6.170 11.494 4.802 1.00 0.00 C ATOM 376 OD1 ASN A 23 -5.818 12.659 4.980 1.00 0.00 O ATOM 377 ND2 ASN A 23 -6.706 10.816 5.775 1.00 0.00 N ATOM 0 H ASN A 23 -4.805 9.127 1.687 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.902 11.339 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.288 11.495 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.592 9.930 3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.835 11.251 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.997 9.850 5.624 1.00 0.00 H new ATOM 384 N GLY A 24 -3.644 9.641 5.395 1.00 0.00 N ATOM 385 CA GLY A 24 -3.237 8.623 6.365 1.00 0.00 C ATOM 386 C GLY A 24 -4.277 7.509 6.472 1.00 0.00 C ATOM 387 O GLY A 24 -3.937 6.364 6.754 1.00 0.00 O ATOM 0 H GLY A 24 -3.536 10.602 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.277 8.200 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.095 9.085 7.342 1.00 0.00 H new ATOM 391 N VAL A 25 -5.543 7.857 6.228 1.00 0.00 N ATOM 392 CA VAL A 25 -6.633 6.886 6.282 1.00 0.00 C ATOM 393 C VAL A 25 -6.543 5.898 5.118 1.00 0.00 C ATOM 394 O VAL A 25 -6.599 4.686 5.323 1.00 0.00 O ATOM 395 CB VAL A 25 -7.978 7.621 6.239 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.122 6.600 6.195 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.123 8.484 7.499 1.00 0.00 C ATOM 0 H VAL A 25 -5.836 8.805 5.991 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.552 6.325 7.213 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.018 8.251 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.077 7.125 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.021 5.978 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.082 5.970 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.078 9.009 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.083 7.847 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.311 9.210 7.538 1.00 0.00 H new ATOM 407 N GLN A 26 -6.412 6.429 3.896 1.00 0.00 N ATOM 408 CA GLN A 26 -6.327 5.602 2.703 1.00 0.00 C ATOM 409 C GLN A 26 -5.091 4.742 2.717 1.00 0.00 C ATOM 410 O GLN A 26 -5.160 3.545 2.439 1.00 0.00 O ATOM 411 CB GLN A 26 -6.295 6.523 1.508 1.00 0.00 C ATOM 412 CG GLN A 26 -7.645 7.215 1.439 1.00 0.00 C ATOM 413 CD GLN A 26 -7.555 8.487 0.631 1.00 0.00 C ATOM 414 OE1 GLN A 26 -6.526 9.158 0.626 1.00 0.00 O ATOM 415 NE2 GLN A 26 -8.591 8.859 -0.040 1.00 0.00 N ATOM 0 H GLN A 26 -6.363 7.432 3.715 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.188 4.934 2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.492 7.254 1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.103 5.961 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.379 6.546 0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.994 7.443 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.438 8.291 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.563 9.721 -0.585 1.00 0.00 H new ATOM 424 N VAL A 27 -3.963 5.352 3.055 1.00 0.00 N ATOM 425 CA VAL A 27 -2.723 4.613 3.104 1.00 0.00 C ATOM 426 C VAL A 27 -2.860 3.488 4.108 1.00 0.00 C ATOM 427 O VAL A 27 -2.618 2.338 3.787 1.00 0.00 O ATOM 428 CB VAL A 27 -1.571 5.527 3.523 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.270 4.715 3.477 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.481 6.728 2.570 1.00 0.00 C ATOM 0 H VAL A 27 -3.887 6.341 3.295 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.509 4.211 2.114 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.738 5.904 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.566 5.349 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.344 3.870 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.106 4.348 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.658 7.374 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.307 6.374 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.415 7.290 2.603 1.00 0.00 H new ATOM 440 N LYS A 28 -3.309 3.851 5.306 1.00 0.00 N ATOM 441 CA LYS A 28 -3.533 2.900 6.391 1.00 0.00 C ATOM 442 C LYS A 28 -4.457 1.799 5.917 1.00 0.00 C ATOM 443 O LYS A 28 -4.295 0.651 6.298 1.00 0.00 O ATOM 444 CB LYS A 28 -4.145 3.605 7.608 1.00 0.00 C ATOM 445 CG LYS A 28 -4.279 2.614 8.771 1.00 0.00 C ATOM 446 CD LYS A 28 -4.917 3.311 9.977 1.00 0.00 C ATOM 447 CE LYS A 28 -4.896 2.365 11.181 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.590 3.010 12.331 1.00 0.00 N ATOM 0 H LYS A 28 -3.529 4.816 5.553 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.575 2.471 6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.519 4.446 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.123 4.011 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.888 1.763 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.298 2.223 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.374 4.227 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.942 3.599 9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.386 1.425 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.868 2.125 11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.576 2.368 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.104 3.896 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.575 3.217 12.070 1.00 0.00 H new ATOM 462 N ALA A 29 -5.411 2.161 5.065 1.00 0.00 N ATOM 463 CA ALA A 29 -6.338 1.193 4.516 1.00 0.00 C ATOM 464 C ALA A 29 -5.567 0.192 3.671 1.00 0.00 C ATOM 465 O ALA A 29 -5.795 -1.016 3.752 1.00 0.00 O ATOM 466 CB ALA A 29 -7.376 1.906 3.653 1.00 0.00 C ATOM 0 H ALA A 29 -5.558 3.118 4.744 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.848 0.672 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.072 1.175 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.924 2.625 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.875 2.428 2.838 1.00 0.00 H new ATOM 472 N PHE A 30 -4.629 0.710 2.874 1.00 0.00 N ATOM 473 CA PHE A 30 -3.808 -0.116 2.046 1.00 0.00 C ATOM 474 C PHE A 30 -2.795 -0.838 2.921 1.00 0.00 C ATOM 475 O PHE A 30 -2.508 -2.017 2.704 1.00 0.00 O ATOM 476 CB PHE A 30 -3.171 0.741 0.958 1.00 0.00 C ATOM 477 CG PHE A 30 -4.282 1.400 0.154 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.330 0.617 -0.355 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.289 2.787 -0.059 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.366 1.216 -1.066 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.330 3.377 -0.767 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.368 2.592 -1.270 1.00 0.00 C ATOM 0 H PHE A 30 -4.434 1.708 2.799 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.394 -0.882 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.524 1.498 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.546 0.127 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.333 -0.451 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.485 3.396 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.170 0.611 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.335 4.445 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.175 3.054 -1.819 1.00 0.00 H new ATOM 492 N ILE A 31 -2.303 -0.138 3.955 1.00 0.00 N ATOM 493 CA ILE A 31 -1.377 -0.747 4.899 1.00 0.00 C ATOM 494 C ILE A 31 -2.133 -1.865 5.629 1.00 0.00 C ATOM 495 O ILE A 31 -1.565 -2.908 5.960 1.00 0.00 O ATOM 496 CB ILE A 31 -0.842 0.259 5.960 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.314 1.597 5.359 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.306 -0.405 6.728 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.245 1.431 3.949 1.00 0.00 C ATOM 0 H ILE A 31 -2.532 0.837 4.150 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.516 -1.115 4.341 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.686 0.510 6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.124 2.326 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.463 2.000 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.692 0.288 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.059 -1.305 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.103 -0.670 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.598 2.395 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.074 0.724 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.537 1.056 3.289 1.00 0.00 H new ATOM 511 N ASP A 32 -3.437 -1.628 5.862 1.00 0.00 N ATOM 512 CA ASP A 32 -4.293 -2.603 6.537 1.00 0.00 C ATOM 513 C ASP A 32 -4.441 -3.842 5.666 1.00 0.00 C ATOM 514 O ASP A 32 -4.523 -4.965 6.161 1.00 0.00 O ATOM 515 CB ASP A 32 -5.675 -1.995 6.821 1.00 0.00 C ATOM 516 CG ASP A 32 -6.476 -2.913 7.744 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.129 -3.810 7.237 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.417 -2.709 8.946 1.00 0.00 O ATOM 0 H ASP A 32 -3.914 -0.768 5.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.833 -2.880 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.561 -1.014 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.215 -1.847 5.886 1.00 0.00 H new ATOM 523 N SER A 33 -4.471 -3.613 4.358 1.00 0.00 N ATOM 524 CA SER A 33 -4.594 -4.695 3.397 1.00 0.00 C ATOM 525 C SER A 33 -3.284 -5.484 3.318 1.00 0.00 C ATOM 526 O SER A 33 -3.293 -6.686 3.054 1.00 0.00 O ATOM 527 CB SER A 33 -4.950 -4.131 2.024 1.00 0.00 C ATOM 528 OG SER A 33 -6.082 -3.277 2.142 1.00 0.00 O ATOM 0 H SER A 33 -4.411 -2.684 3.941 1.00 0.00 H new ATOM 0 HA SER A 33 -5.388 -5.368 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.104 -3.578 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.164 -4.943 1.330 1.00 0.00 H new ATOM 0 HG SER A 33 -5.824 -2.454 2.608 1.00 0.00 H new ATOM 534 N LEU A 34 -2.157 -4.787 3.532 1.00 0.00 N ATOM 535 CA LEU A 34 -0.835 -5.421 3.467 1.00 0.00 C ATOM 536 C LEU A 34 -0.739 -6.583 4.451 1.00 0.00 C ATOM 537 O LEU A 34 -0.401 -7.704 4.076 1.00 0.00 O ATOM 538 CB LEU A 34 0.258 -4.389 3.849 1.00 0.00 C ATOM 539 CG LEU A 34 1.250 -4.140 2.708 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.622 -5.454 2.006 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.605 -3.151 1.735 1.00 0.00 C ATOM 0 H LEU A 34 -2.136 -3.791 3.750 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.690 -5.786 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.216 -3.448 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.799 -4.744 4.726 1.00 0.00 H new ATOM 0 HG LEU A 34 2.178 -3.723 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.327 -5.249 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.080 -6.134 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.724 -5.913 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.289 -2.954 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.321 -3.575 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.386 -2.219 2.256 1.00 0.00 H new ATOM 553 N ARG A 35 -1.044 -6.295 5.711 1.00 0.00 N ATOM 554 CA ARG A 35 -1.004 -7.307 6.764 1.00 0.00 C ATOM 555 C ARG A 35 -2.078 -8.370 6.520 1.00 0.00 C ATOM 556 O ARG A 35 -1.858 -9.555 6.776 1.00 0.00 O ATOM 557 CB ARG A 35 -1.199 -6.639 8.133 1.00 0.00 C ATOM 558 CG ARG A 35 -2.541 -5.899 8.157 1.00 0.00 C ATOM 559 CD ARG A 35 -2.628 -4.985 9.380 1.00 0.00 C ATOM 560 NE ARG A 35 -3.974 -4.424 9.482 1.00 0.00 N ATOM 561 CZ ARG A 35 -5.024 -5.191 9.756 1.00 0.00 C ATOM 562 NH1 ARG A 35 -5.654 -5.799 8.791 1.00 0.00 N ATOM 563 NH2 ARG A 35 -5.425 -5.332 10.987 1.00 0.00 N ATOM 0 H ARG A 35 -1.323 -5.367 6.030 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.032 -7.799 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.172 -7.390 8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.384 -5.942 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.654 -5.310 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.359 -6.619 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.388 -5.546 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.895 -4.183 9.299 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.110 -3.423 9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.341 -5.686 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.460 -6.388 9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.933 -4.854 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.231 -5.921 11.197 1.00 0.00 H new ATOM 577 N ASP A 36 -3.232 -7.928 6.007 1.00 0.00 N ATOM 578 CA ASP A 36 -4.340 -8.833 5.705 1.00 0.00 C ATOM 579 C ASP A 36 -3.924 -9.827 4.628 1.00 0.00 C ATOM 580 O ASP A 36 -4.298 -11.001 4.659 1.00 0.00 O ATOM 581 CB ASP A 36 -5.556 -8.026 5.233 1.00 0.00 C ATOM 582 CG ASP A 36 -6.772 -8.939 5.085 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.455 -9.148 6.074 1.00 0.00 O ATOM 584 OD2 ASP A 36 -7.000 -9.417 3.986 1.00 0.00 O ATOM 0 H ASP A 36 -3.420 -6.949 5.793 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.606 -9.383 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.774 -7.232 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.335 -7.546 4.280 1.00 0.00 H new ATOM 589 N ASP A 37 -3.129 -9.328 3.693 1.00 0.00 N ATOM 590 CA ASP A 37 -2.613 -10.130 2.595 1.00 0.00 C ATOM 591 C ASP A 37 -1.402 -9.431 1.988 1.00 0.00 C ATOM 592 O ASP A 37 -1.536 -8.506 1.181 1.00 0.00 O ATOM 593 CB ASP A 37 -3.691 -10.369 1.526 1.00 0.00 C ATOM 594 CG ASP A 37 -3.338 -11.594 0.668 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.165 -11.780 0.365 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.248 -12.326 0.318 1.00 0.00 O ATOM 0 H ASP A 37 -2.824 -8.355 3.675 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.314 -11.105 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.659 -10.520 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.783 -9.488 0.891 1.00 0.00 H new ATOM 601 N PRO A 38 -0.225 -9.847 2.384 1.00 0.00 N ATOM 602 CA PRO A 38 1.047 -9.251 1.903 1.00 0.00 C ATOM 603 C PRO A 38 1.355 -9.581 0.447 1.00 0.00 C ATOM 604 O PRO A 38 2.135 -8.880 -0.200 1.00 0.00 O ATOM 605 CB PRO A 38 2.113 -9.809 2.847 1.00 0.00 C ATOM 606 CG PRO A 38 1.422 -10.679 3.847 1.00 0.00 C ATOM 607 CD PRO A 38 0.021 -10.945 3.333 1.00 0.00 C ATOM 0 HA PRO A 38 1.000 -8.162 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.856 -10.381 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.644 -8.999 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.965 -11.615 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.386 -10.190 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.047 -11.917 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.708 -10.943 4.143 1.00 0.00 H new ATOM 615 N SER A 39 0.726 -10.631 -0.068 1.00 0.00 N ATOM 616 CA SER A 39 0.928 -11.028 -1.458 1.00 0.00 C ATOM 617 C SER A 39 0.307 -9.986 -2.384 1.00 0.00 C ATOM 618 O SER A 39 0.617 -9.928 -3.575 1.00 0.00 O ATOM 619 CB SER A 39 0.285 -12.394 -1.716 1.00 0.00 C ATOM 620 OG SER A 39 0.662 -13.296 -0.684 1.00 0.00 O ATOM 0 H SER A 39 0.075 -11.220 0.452 1.00 0.00 H new ATOM 0 HA SER A 39 1.998 -11.098 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.800 -12.297 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.601 -12.780 -2.685 1.00 0.00 H new ATOM 0 HG SER A 39 0.250 -14.170 -0.847 1.00 0.00 H new ATOM 626 N GLN A 40 -0.597 -9.185 -1.816 1.00 0.00 N ATOM 627 CA GLN A 40 -1.305 -8.159 -2.571 1.00 0.00 C ATOM 628 C GLN A 40 -0.631 -6.804 -2.505 1.00 0.00 C ATOM 629 O GLN A 40 -1.135 -5.878 -3.108 1.00 0.00 O ATOM 630 CB GLN A 40 -2.737 -7.999 -2.032 1.00 0.00 C ATOM 631 CG GLN A 40 -3.389 -9.365 -1.812 1.00 0.00 C ATOM 632 CD GLN A 40 -3.409 -10.178 -3.106 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.829 -9.678 -4.151 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.977 -11.408 -3.095 1.00 0.00 N ATOM 0 H GLN A 40 -0.854 -9.231 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.305 -8.494 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.718 -7.445 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.332 -7.416 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.844 -9.912 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.407 -9.231 -1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.630 -11.819 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.986 -11.959 -3.953 1.00 0.00 H new ATOM 643 N SER A 41 0.478 -6.677 -1.778 1.00 0.00 N ATOM 644 CA SER A 41 1.139 -5.385 -1.612 1.00 0.00 C ATOM 645 C SER A 41 1.139 -4.551 -2.895 1.00 0.00 C ATOM 646 O SER A 41 0.877 -3.355 -2.840 1.00 0.00 O ATOM 647 CB SER A 41 2.580 -5.634 -1.129 1.00 0.00 C ATOM 648 OG SER A 41 3.505 -5.459 -2.200 1.00 0.00 O ATOM 0 H SER A 41 0.936 -7.451 -1.296 1.00 0.00 H new ATOM 0 HA SER A 41 0.581 -4.807 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.821 -4.948 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.666 -6.644 -0.728 1.00 0.00 H new ATOM 0 HG SER A 41 4.416 -5.619 -1.875 1.00 0.00 H new ATOM 654 N ALA A 42 1.382 -5.182 -4.034 1.00 0.00 N ATOM 655 CA ALA A 42 1.375 -4.475 -5.308 1.00 0.00 C ATOM 656 C ALA A 42 -0.041 -4.038 -5.692 1.00 0.00 C ATOM 657 O ALA A 42 -0.240 -2.988 -6.300 1.00 0.00 O ATOM 658 CB ALA A 42 1.934 -5.388 -6.387 1.00 0.00 C ATOM 0 H ALA A 42 1.586 -6.179 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 42 1.992 -3.581 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.932 -4.865 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.955 -5.671 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.317 -6.283 -6.462 1.00 0.00 H new ATOM 664 N ASN A 43 -1.013 -4.859 -5.319 1.00 0.00 N ATOM 665 CA ASN A 43 -2.412 -4.587 -5.586 1.00 0.00 C ATOM 666 C ASN A 43 -2.890 -3.445 -4.701 1.00 0.00 C ATOM 667 O ASN A 43 -3.639 -2.580 -5.118 1.00 0.00 O ATOM 668 CB ASN A 43 -3.237 -5.842 -5.319 1.00 0.00 C ATOM 669 CG ASN A 43 -4.600 -5.763 -6.005 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.059 -4.685 -6.386 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.275 -6.861 -6.187 1.00 0.00 N ATOM 0 H ASN A 43 -0.849 -5.734 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.534 -4.299 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.697 -6.718 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.374 -5.969 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.185 -6.830 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.893 -7.753 -5.871 1.00 0.00 H new ATOM 678 N LEU A 44 -2.407 -3.466 -3.469 1.00 0.00 N ATOM 679 CA LEU A 44 -2.714 -2.453 -2.475 1.00 0.00 C ATOM 680 C LEU A 44 -2.147 -1.168 -2.987 1.00 0.00 C ATOM 681 O LEU A 44 -2.765 -0.115 -2.901 1.00 0.00 O ATOM 682 CB LEU A 44 -2.100 -2.887 -1.137 1.00 0.00 C ATOM 683 CG LEU A 44 -2.512 -4.346 -0.912 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.020 -4.897 0.404 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.016 -4.467 -1.002 1.00 0.00 C ATOM 0 H LEU A 44 -1.783 -4.197 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.783 -2.323 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.014 -2.791 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.458 -2.255 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.042 -4.942 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.342 -5.933 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.931 -4.851 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.431 -4.306 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.308 -5.505 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.478 -3.839 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.349 -4.145 -1.989 1.00 0.00 H new ATOM 697 N LEU A 45 -0.992 -1.320 -3.610 1.00 0.00 N ATOM 698 CA LEU A 45 -0.321 -0.228 -4.270 1.00 0.00 C ATOM 699 C LEU A 45 -1.217 0.263 -5.384 1.00 0.00 C ATOM 700 O LEU A 45 -1.392 1.455 -5.594 1.00 0.00 O ATOM 701 CB LEU A 45 0.953 -0.750 -4.939 1.00 0.00 C ATOM 702 CG LEU A 45 2.208 -0.204 -4.316 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.100 1.315 -4.109 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.378 -0.985 -3.024 1.00 0.00 C ATOM 0 H LEU A 45 -0.496 -2.209 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.093 0.554 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.968 -1.838 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.935 -0.488 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 45 3.087 -0.327 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.020 1.687 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.945 1.803 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.259 1.534 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.276 -0.644 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.510 -0.825 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.471 -2.047 -3.250 1.00 0.00 H new ATOM 716 N ALA A 46 -1.764 -0.720 -6.095 1.00 0.00 N ATOM 717 CA ALA A 46 -2.641 -0.481 -7.229 1.00 0.00 C ATOM 718 C ALA A 46 -3.860 0.276 -6.774 1.00 0.00 C ATOM 719 O ALA A 46 -4.259 1.277 -7.367 1.00 0.00 O ATOM 720 CB ALA A 46 -3.087 -1.824 -7.808 1.00 0.00 C ATOM 0 H ALA A 46 -1.608 -1.708 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.107 0.097 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.746 -1.652 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.213 -2.388 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.621 -2.390 -7.045 1.00 0.00 H new ATOM 726 N GLU A 47 -4.412 -0.212 -5.681 1.00 0.00 N ATOM 727 CA GLU A 47 -5.553 0.383 -5.066 1.00 0.00 C ATOM 728 C GLU A 47 -5.179 1.752 -4.547 1.00 0.00 C ATOM 729 O GLU A 47 -5.981 2.686 -4.546 1.00 0.00 O ATOM 730 CB GLU A 47 -5.965 -0.503 -3.916 1.00 0.00 C ATOM 731 CG GLU A 47 -6.627 -1.803 -4.412 1.00 0.00 C ATOM 732 CD GLU A 47 -7.732 -1.511 -5.433 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.630 -0.746 -5.114 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.660 -2.055 -6.522 1.00 0.00 O ATOM 0 H GLU A 47 -4.067 -1.043 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.371 0.487 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.091 -0.746 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.658 0.036 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.873 -2.448 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.046 -2.346 -3.565 1.00 0.00 H new ATOM 741 N ALA A 48 -3.931 1.845 -4.117 1.00 0.00 N ATOM 742 CA ALA A 48 -3.398 3.080 -3.601 1.00 0.00 C ATOM 743 C ALA A 48 -3.274 4.083 -4.721 1.00 0.00 C ATOM 744 O ALA A 48 -3.693 5.231 -4.582 1.00 0.00 O ATOM 745 CB ALA A 48 -2.021 2.838 -3.003 1.00 0.00 C ATOM 0 H ALA A 48 -3.269 1.069 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.070 3.462 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.623 3.775 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.099 2.113 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.353 2.452 -3.773 1.00 0.00 H new ATOM 751 N LYS A 49 -2.733 3.625 -5.853 1.00 0.00 N ATOM 752 CA LYS A 49 -2.602 4.491 -7.013 1.00 0.00 C ATOM 753 C LYS A 49 -3.982 4.910 -7.438 1.00 0.00 C ATOM 754 O LYS A 49 -4.204 6.039 -7.829 1.00 0.00 O ATOM 755 CB LYS A 49 -1.932 3.747 -8.155 1.00 0.00 C ATOM 756 CG LYS A 49 -0.424 3.663 -7.889 1.00 0.00 C ATOM 757 CD LYS A 49 0.049 2.227 -8.079 1.00 0.00 C ATOM 758 CE LYS A 49 1.420 2.049 -7.420 1.00 0.00 C ATOM 759 NZ LYS A 49 2.467 2.693 -8.262 1.00 0.00 N ATOM 0 H LYS A 49 -2.386 2.675 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.993 5.358 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.353 2.746 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.119 4.261 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.113 4.326 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.204 3.998 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.670 1.535 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.111 1.991 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.416 2.492 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.640 0.989 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.397 2.571 -7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.476 2.251 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.259 3.708 -8.358 1.00 0.00 H new ATOM 773 N LYS A 50 -4.911 3.970 -7.318 1.00 0.00 N ATOM 774 CA LYS A 50 -6.300 4.227 -7.661 1.00 0.00 C ATOM 775 C LYS A 50 -6.876 5.296 -6.747 1.00 0.00 C ATOM 776 O LYS A 50 -7.600 6.184 -7.200 1.00 0.00 O ATOM 777 CB LYS A 50 -7.118 2.934 -7.571 1.00 0.00 C ATOM 778 CG LYS A 50 -6.904 2.094 -8.835 1.00 0.00 C ATOM 779 CD LYS A 50 -7.365 0.658 -8.571 1.00 0.00 C ATOM 780 CE LYS A 50 -8.861 0.640 -8.239 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.373 -0.756 -8.323 1.00 0.00 N ATOM 0 H LYS A 50 -4.726 3.024 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.349 4.590 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.820 2.365 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.176 3.170 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.463 2.520 -9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.852 2.104 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.171 0.038 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.796 0.231 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.027 1.040 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.406 1.281 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.344 -0.793 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.369 -1.068 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.764 -1.384 -7.760 1.00 0.00 H new ATOM 795 N LEU A 51 -6.517 5.224 -5.468 1.00 0.00 N ATOM 796 CA LEU A 51 -6.977 6.223 -4.506 1.00 0.00 C ATOM 797 C LEU A 51 -6.287 7.550 -4.797 1.00 0.00 C ATOM 798 O LEU A 51 -6.924 8.601 -4.838 1.00 0.00 O ATOM 799 CB LEU A 51 -6.695 5.772 -3.056 1.00 0.00 C ATOM 800 CG LEU A 51 -8.016 5.410 -2.347 1.00 0.00 C ATOM 801 CD1 LEU A 51 -8.906 6.656 -2.215 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.761 4.324 -3.146 1.00 0.00 C ATOM 0 H LEU A 51 -5.918 4.497 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.056 6.342 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.027 4.911 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.187 6.568 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.786 5.030 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.836 6.388 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.385 7.415 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.130 7.050 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.693 4.074 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.981 4.695 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.137 3.433 -3.219 1.00 0.00 H new ATOM 814 N ASN A 52 -4.979 7.470 -5.016 1.00 0.00 N ATOM 815 CA ASN A 52 -4.171 8.642 -5.330 1.00 0.00 C ATOM 816 C ASN A 52 -4.612 9.283 -6.641 1.00 0.00 C ATOM 817 O ASN A 52 -4.748 10.497 -6.730 1.00 0.00 O ATOM 818 CB ASN A 52 -2.721 8.208 -5.454 1.00 0.00 C ATOM 819 CG ASN A 52 -1.829 9.376 -5.847 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.356 10.108 -4.987 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.570 9.594 -7.107 1.00 0.00 N ATOM 0 H ASN A 52 -4.452 6.597 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.293 9.376 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.381 7.790 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.638 7.417 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.973 10.375 -7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.965 8.983 -7.822 1.00 0.00 H new ATOM 828 N ASP A 53 -4.820 8.440 -7.649 1.00 0.00 N ATOM 829 CA ASP A 53 -5.240 8.887 -8.969 1.00 0.00 C ATOM 830 C ASP A 53 -6.568 9.605 -8.868 1.00 0.00 C ATOM 831 O ASP A 53 -6.777 10.658 -9.474 1.00 0.00 O ATOM 832 CB ASP A 53 -5.353 7.673 -9.909 1.00 0.00 C ATOM 833 CG ASP A 53 -3.968 7.118 -10.288 1.00 0.00 C ATOM 834 OD1 ASP A 53 -2.970 7.778 -10.027 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.928 6.025 -10.827 1.00 0.00 O ATOM 0 H ASP A 53 -4.702 7.430 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.502 9.579 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.939 6.891 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.890 7.961 -10.813 1.00 0.00 H new ATOM 840 N ALA A 54 -7.441 9.035 -8.058 1.00 0.00 N ATOM 841 CA ALA A 54 -8.747 9.606 -7.808 1.00 0.00 C ATOM 842 C ALA A 54 -8.586 10.918 -7.048 1.00 0.00 C ATOM 843 O ALA A 54 -9.381 11.846 -7.205 1.00 0.00 O ATOM 844 CB ALA A 54 -9.585 8.631 -6.983 1.00 0.00 C ATOM 0 H ALA A 54 -7.263 8.165 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.250 9.795 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.568 9.064 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.698 7.695 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.087 8.437 -6.033 1.00 0.00 H new ATOM 850 N GLN A 55 -7.534 10.972 -6.225 1.00 0.00 N ATOM 851 CA GLN A 55 -7.235 12.157 -5.426 1.00 0.00 C ATOM 852 C GLN A 55 -6.284 13.096 -6.168 1.00 0.00 C ATOM 853 O GLN A 55 -5.919 14.157 -5.656 1.00 0.00 O ATOM 854 CB GLN A 55 -6.617 11.707 -4.103 1.00 0.00 C ATOM 855 CG GLN A 55 -7.715 11.149 -3.203 1.00 0.00 C ATOM 856 CD GLN A 55 -7.089 10.577 -1.951 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.168 11.183 -0.882 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.453 9.445 -2.026 1.00 0.00 N ATOM 0 H GLN A 55 -6.875 10.204 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.156 12.708 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.856 10.948 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.121 12.546 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.423 11.936 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.276 10.376 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.394 8.951 -2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.014 9.051 -1.194 1.00 0.00 H new ATOM 867 N ALA A 56 -5.887 12.693 -7.376 1.00 0.00 N ATOM 868 CA ALA A 56 -4.973 13.493 -8.187 1.00 0.00 C ATOM 869 C ALA A 56 -5.713 14.620 -8.895 1.00 0.00 C ATOM 870 O ALA A 56 -6.943 14.612 -8.981 1.00 0.00 O ATOM 871 CB ALA A 56 -4.264 12.605 -9.216 1.00 0.00 C ATOM 0 H ALA A 56 -6.184 11.820 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.231 13.935 -7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.585 13.213 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.698 11.830 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.004 12.140 -9.867 1.00 0.00 H new ATOM 877 N PRO A 57 -4.982 15.592 -9.388 1.00 0.00 N ATOM 878 CA PRO A 57 -5.563 16.765 -10.088 1.00 0.00 C ATOM 879 C PRO A 57 -5.997 16.428 -11.513 1.00 0.00 C ATOM 880 O PRO A 57 -5.601 15.401 -12.069 1.00 0.00 O ATOM 881 CB PRO A 57 -4.431 17.803 -10.087 1.00 0.00 C ATOM 882 CG PRO A 57 -3.258 17.177 -9.401 1.00 0.00 C ATOM 883 CD PRO A 57 -3.516 15.684 -9.342 1.00 0.00 C ATOM 0 HA PRO A 57 -6.467 17.124 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.172 18.091 -11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.741 18.710 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.337 17.387 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.136 17.586 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.054 15.163 -10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.114 15.242 -8.431 1.00 0.00 H new ATOM 891 N LYS A 58 -6.809 17.309 -12.093 1.00 0.00 N ATOM 892 CA LYS A 58 -7.300 17.117 -13.459 1.00 0.00 C ATOM 893 C LYS A 58 -6.154 17.240 -14.466 1.00 0.00 C ATOM 894 O LYS A 58 -5.360 18.158 -14.324 1.00 0.00 O ATOM 895 CB LYS A 58 -8.380 18.158 -13.782 1.00 0.00 C ATOM 896 CG LYS A 58 -9.621 17.915 -12.908 1.00 0.00 C ATOM 897 CD LYS A 58 -10.687 18.986 -13.196 1.00 0.00 C ATOM 898 CE LYS A 58 -11.310 18.764 -14.582 1.00 0.00 C ATOM 899 NZ LYS A 58 -10.537 19.524 -15.607 1.00 0.00 N ATOM 900 OXT LYS A 58 -6.087 16.417 -15.363 1.00 0.00 O ATOM 0 H LYS A 58 -7.141 18.161 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.727 16.117 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.993 19.162 -13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.650 18.099 -14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.027 16.923 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.344 17.940 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.463 18.950 -12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.237 19.978 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.310 17.702 -14.826 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.350 19.090 -14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.185 20.124 -16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.829 20.122 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.057 18.857 -16.245 1.00 0.00 H new TER 914 LYS A 58