USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 13 MET CE :methyl 171:sc= 0 (180deg=-0.0169) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.00686 X(o=0.0069,f=-0.28) USER MOD Set 2.1: A 2 CYS SG : rot 180:sc= -0.489 USER MOD Set 2.2: A 4 HIS : no HD1:sc= -0.261 X(o=-0.75,f=-0.49) USER MOD Single : A 1 LEU N :NH3+ -122:sc= 0.168 (180deg=0.0374) USER MOD Single : A 7 SER OG : rot 148:sc= 0.983 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0021 USER MOD Single : A 18 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.061) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.213 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00545 X(o=-0.0055,f=-0.026) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 46:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.696 (180deg=0.695) USER MOD Single : A 39 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.9) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.244 USER MOD Single : A 57 SER OG : rot 92:sc= 0.0171 USER MOD Single : A 58 SER OG : rot -48:sc= 0.0604 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.9) USER MOD Single : A 70 THR OG1 : rot 10:sc= 0.0205 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.132 (180deg=-1.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.505 44.869 -0.145 1.00 0.00 N ATOM 2 CA LEU A 1 3.428 44.738 -1.321 1.00 0.00 C ATOM 3 C LEU A 1 2.982 43.563 -2.189 1.00 0.00 C ATOM 4 O LEU A 1 1.951 42.970 -1.918 1.00 0.00 O ATOM 5 CB LEU A 1 4.897 44.618 -0.838 1.00 0.00 C ATOM 6 CG LEU A 1 5.563 45.982 -0.643 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.972 45.791 -0.045 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.633 46.714 -1.975 1.00 0.00 C ATOM 0 H1 LEU A 1 2.077 45.817 -0.143 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.755 44.151 -0.210 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.042 44.730 0.735 1.00 0.00 H new ATOM 0 HA LEU A 1 3.381 45.633 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.923 44.067 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.468 44.039 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 1 4.973 46.583 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.444 46.764 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.893 45.286 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.576 45.188 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.108 47.685 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.216 46.126 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.625 46.857 -2.365 1.00 0.00 H new ATOM 22 N CYS A 2 3.836 43.098 -3.097 1.00 0.00 N ATOM 23 CA CYS A 2 3.579 41.936 -3.942 1.00 0.00 C ATOM 24 C CYS A 2 4.921 41.227 -4.142 1.00 0.00 C ATOM 25 O CYS A 2 6.002 41.831 -4.098 1.00 0.00 O ATOM 26 CB CYS A 2 2.958 42.341 -5.306 1.00 0.00 C ATOM 27 SG CYS A 2 3.961 43.542 -6.236 1.00 0.00 S ATOM 0 H CYS A 2 4.745 43.528 -3.269 1.00 0.00 H new ATOM 0 HA CYS A 2 2.854 41.277 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.822 41.446 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.968 42.763 -5.134 1.00 0.00 H new ATOM 0 HG CYS A 2 3.371 43.822 -7.360 1.00 0.00 H new ATOM 33 N VAL A 3 4.841 39.924 -4.377 1.00 0.00 N ATOM 34 CA VAL A 3 5.975 39.007 -4.405 1.00 0.00 C ATOM 35 C VAL A 3 5.745 38.175 -5.652 1.00 0.00 C ATOM 36 O VAL A 3 4.621 37.820 -5.983 1.00 0.00 O ATOM 37 CB VAL A 3 6.043 38.023 -3.180 1.00 0.00 C ATOM 38 CG1 VAL A 3 6.801 38.630 -2.005 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.706 37.552 -2.596 1.00 0.00 C ATOM 0 H VAL A 3 3.952 39.459 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 3 6.903 39.578 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 3 6.544 37.164 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.825 37.918 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.820 38.864 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.301 39.543 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.892 36.879 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.136 38.414 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.138 37.027 -3.364 1.00 0.00 H new ATOM 49 N HIS A 4 6.826 37.766 -6.303 1.00 0.00 N ATOM 50 CA HIS A 4 6.754 37.252 -7.662 1.00 0.00 C ATOM 51 C HIS A 4 7.538 35.953 -7.601 1.00 0.00 C ATOM 52 O HIS A 4 8.531 35.833 -6.878 1.00 0.00 O ATOM 53 CB HIS A 4 7.503 38.134 -8.706 1.00 0.00 C ATOM 54 CG HIS A 4 7.110 39.591 -8.839 1.00 0.00 C ATOM 55 ND1 HIS A 4 7.921 40.589 -9.385 1.00 0.00 N ATOM 56 CD2 HIS A 4 5.904 40.143 -8.493 1.00 0.00 C ATOM 57 CE1 HIS A 4 7.187 41.704 -9.377 1.00 0.00 C ATOM 58 NE2 HIS A 4 5.991 41.479 -8.828 1.00 0.00 N ATOM 0 H HIS A 4 7.767 37.781 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 4 5.709 37.188 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.566 38.098 -8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.379 37.667 -9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.059 39.637 -8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.516 42.658 -9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.263 42.178 -8.681 1.00 0.00 H new ATOM 66 N VAL A 5 7.125 34.996 -8.392 1.00 0.00 N ATOM 67 CA VAL A 5 7.526 33.607 -8.207 1.00 0.00 C ATOM 68 C VAL A 5 7.667 33.067 -9.604 1.00 0.00 C ATOM 69 O VAL A 5 6.818 33.296 -10.465 1.00 0.00 O ATOM 70 CB VAL A 5 6.493 32.740 -7.412 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.617 33.019 -5.904 1.00 0.00 C ATOM 72 CG2 VAL A 5 5.009 32.878 -7.795 1.00 0.00 C ATOM 0 H VAL A 5 6.501 35.148 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 5 8.439 33.563 -7.613 1.00 0.00 H new ATOM 0 HB VAL A 5 6.769 31.722 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.894 32.411 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.624 32.770 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.421 34.074 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.408 32.222 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.691 33.910 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.876 32.600 -8.840 1.00 0.00 H new ATOM 82 N ARG A 6 8.769 32.346 -9.820 1.00 0.00 N ATOM 83 CA ARG A 6 9.162 31.936 -11.167 1.00 0.00 C ATOM 84 C ARG A 6 8.969 30.440 -11.143 1.00 0.00 C ATOM 85 O ARG A 6 9.563 29.749 -10.289 1.00 0.00 O ATOM 86 CB ARG A 6 10.642 32.307 -11.524 1.00 0.00 C ATOM 87 CG ARG A 6 11.775 31.473 -10.878 1.00 0.00 C ATOM 88 CD ARG A 6 12.101 30.181 -11.648 1.00 0.00 C ATOM 89 NE ARG A 6 12.395 29.038 -10.753 1.00 0.00 N ATOM 90 CZ ARG A 6 12.849 27.851 -11.122 1.00 0.00 C ATOM 91 NH1 ARG A 6 13.201 27.610 -12.358 1.00 0.00 N ATOM 92 NH2 ARG A 6 12.961 26.885 -10.255 1.00 0.00 N ATOM 0 H ARG A 6 9.402 32.036 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 6 8.573 32.446 -11.930 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.752 32.238 -12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.799 33.351 -11.253 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.675 32.085 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.490 31.217 -9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.260 29.925 -12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.958 30.357 -12.298 1.00 0.00 H new ATOM 0 HE ARG A 6 12.232 29.179 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.128 28.345 -13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.548 26.687 -12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.698 27.040 -9.282 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.312 25.974 -10.549 1.00 0.00 H new ATOM 106 N SER A 7 8.183 29.980 -12.107 1.00 0.00 N ATOM 107 CA SER A 7 7.851 28.576 -12.381 1.00 0.00 C ATOM 108 C SER A 7 6.698 28.449 -13.391 1.00 0.00 C ATOM 109 O SER A 7 6.397 29.369 -14.151 1.00 0.00 O ATOM 110 CB SER A 7 7.471 27.855 -11.059 1.00 0.00 C ATOM 111 OG SER A 7 8.553 27.020 -10.697 1.00 0.00 O ATOM 0 H SER A 7 7.728 30.613 -12.764 1.00 0.00 H new ATOM 0 HA SER A 7 8.732 28.107 -12.818 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.269 28.581 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.562 27.268 -11.192 1.00 0.00 H new ATOM 0 HG SER A 7 8.604 26.956 -9.720 1.00 0.00 H new ATOM 117 N GLU A 8 6.025 27.309 -13.350 1.00 0.00 N ATOM 118 CA GLU A 8 4.871 26.966 -14.144 1.00 0.00 C ATOM 119 C GLU A 8 3.741 26.957 -13.105 1.00 0.00 C ATOM 120 O GLU A 8 3.386 25.943 -12.490 1.00 0.00 O ATOM 121 CB GLU A 8 5.054 25.565 -14.776 1.00 0.00 C ATOM 122 CG GLU A 8 5.928 25.618 -16.031 1.00 0.00 C ATOM 123 CD GLU A 8 6.390 24.213 -16.485 1.00 0.00 C ATOM 124 OE1 GLU A 8 7.216 23.617 -15.763 1.00 0.00 O ATOM 125 OE2 GLU A 8 5.943 23.784 -17.576 1.00 0.00 O ATOM 0 H GLU A 8 6.294 26.555 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 8 4.686 27.648 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.506 24.893 -14.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.078 25.150 -15.030 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.372 26.094 -16.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.802 26.240 -15.837 1.00 0.00 H new ATOM 132 N GLU A 9 3.142 28.135 -12.976 1.00 0.00 N ATOM 133 CA GLU A 9 1.985 28.412 -12.143 1.00 0.00 C ATOM 134 C GLU A 9 1.073 29.411 -12.870 1.00 0.00 C ATOM 135 O GLU A 9 1.467 30.121 -13.791 1.00 0.00 O ATOM 136 CB GLU A 9 2.333 28.935 -10.715 1.00 0.00 C ATOM 137 CG GLU A 9 2.982 30.321 -10.551 1.00 0.00 C ATOM 138 CD GLU A 9 4.499 30.307 -10.774 1.00 0.00 C ATOM 139 OE1 GLU A 9 5.218 29.772 -9.908 1.00 0.00 O ATOM 140 OE2 GLU A 9 4.965 30.819 -11.825 1.00 0.00 O ATOM 0 H GLU A 9 3.469 28.962 -13.476 1.00 0.00 H new ATOM 0 HA GLU A 9 1.476 27.461 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.411 28.936 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.999 28.206 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.524 31.015 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.772 30.698 -9.550 1.00 0.00 H new ATOM 147 N TRP A 10 -0.177 29.470 -12.419 1.00 0.00 N ATOM 148 CA TRP A 10 -1.275 30.222 -13.024 1.00 0.00 C ATOM 149 C TRP A 10 -1.784 31.275 -12.030 1.00 0.00 C ATOM 150 O TRP A 10 -2.691 32.033 -12.342 1.00 0.00 O ATOM 151 CB TRP A 10 -2.433 29.300 -13.451 1.00 0.00 C ATOM 152 CG TRP A 10 -3.003 28.440 -12.364 1.00 0.00 C ATOM 153 CD1 TRP A 10 -3.920 28.828 -11.453 1.00 0.00 C ATOM 154 CD2 TRP A 10 -2.690 27.051 -12.045 1.00 0.00 C ATOM 155 NE1 TRP A 10 -4.191 27.784 -10.592 1.00 0.00 N ATOM 156 CE2 TRP A 10 -3.458 26.657 -10.911 1.00 0.00 C ATOM 157 CE3 TRP A 10 -1.815 26.096 -12.602 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -3.367 25.379 -10.353 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -1.715 24.797 -12.044 1.00 0.00 C ATOM 160 CH2 TRP A 10 -2.490 24.444 -10.929 1.00 0.00 C ATOM 0 H TRP A 10 -0.467 28.969 -11.579 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.895 30.710 -13.921 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.233 29.916 -13.861 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.083 28.654 -14.256 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.373 29.807 -11.405 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -4.851 27.838 -9.816 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.216 26.357 -13.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.962 25.114 -9.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.039 24.076 -12.479 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.412 23.451 -10.512 1.00 0.00 H new ATOM 171 N ASP A 11 -1.155 31.355 -10.855 1.00 0.00 N ATOM 172 CA ASP A 11 -1.525 32.230 -9.766 1.00 0.00 C ATOM 173 C ASP A 11 -0.267 32.978 -9.287 1.00 0.00 C ATOM 174 O ASP A 11 0.853 32.463 -9.357 1.00 0.00 O ATOM 175 CB ASP A 11 -2.089 31.379 -8.610 1.00 0.00 C ATOM 176 CG ASP A 11 -2.876 32.241 -7.608 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.006 32.596 -7.934 1.00 0.00 O ATOM 178 OD2 ASP A 11 -2.316 32.495 -6.504 1.00 0.00 O ATOM 0 H ASP A 11 -0.340 30.782 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.279 32.946 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.739 30.602 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.271 30.875 -8.095 1.00 0.00 H new ATOM 183 N LEU A 12 -0.451 34.171 -8.740 1.00 0.00 N ATOM 184 CA LEU A 12 0.653 35.025 -8.309 1.00 0.00 C ATOM 185 C LEU A 12 0.502 35.173 -6.801 1.00 0.00 C ATOM 186 O LEU A 12 -0.577 35.183 -6.229 1.00 0.00 O ATOM 187 CB LEU A 12 0.603 36.434 -8.961 1.00 0.00 C ATOM 188 CG LEU A 12 1.538 36.604 -10.170 1.00 0.00 C ATOM 189 CD1 LEU A 12 1.030 35.861 -11.402 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.712 38.088 -10.515 1.00 0.00 C ATOM 0 H LEU A 12 -1.373 34.578 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 12 1.602 34.576 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.420 36.640 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.861 37.179 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 12 2.498 36.174 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.724 36.011 -12.229 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.955 34.797 -11.180 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.048 36.244 -11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.377 38.187 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.742 38.522 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.141 38.612 -9.661 1.00 0.00 H new ATOM 202 N MET A 13 1.590 35.612 -6.180 1.00 0.00 N ATOM 203 CA MET A 13 1.659 35.614 -4.742 1.00 0.00 C ATOM 204 C MET A 13 1.637 37.097 -4.389 1.00 0.00 C ATOM 205 O MET A 13 1.860 38.000 -5.195 1.00 0.00 O ATOM 206 CB MET A 13 3.011 34.997 -4.268 1.00 0.00 C ATOM 207 CG MET A 13 3.223 33.527 -4.608 1.00 0.00 C ATOM 208 SD MET A 13 1.878 32.457 -4.058 1.00 0.00 S ATOM 209 CE MET A 13 2.261 32.270 -2.304 1.00 0.00 C ATOM 0 H MET A 13 2.423 35.965 -6.652 1.00 0.00 H new ATOM 0 HA MET A 13 0.856 35.039 -4.280 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.826 35.573 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.083 35.115 -3.187 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.339 33.425 -5.687 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.154 33.188 -4.154 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.433 31.769 -1.802 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.167 31.675 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.414 33.253 -1.858 1.00 0.00 H new ATOM 219 N THR A 14 1.425 37.382 -3.113 1.00 0.00 N ATOM 220 CA THR A 14 1.193 38.760 -2.665 1.00 0.00 C ATOM 221 C THR A 14 1.779 38.846 -1.282 1.00 0.00 C ATOM 222 O THR A 14 1.960 37.851 -0.571 1.00 0.00 O ATOM 223 CB THR A 14 -0.307 39.169 -2.663 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.358 40.555 -2.384 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.199 38.462 -1.644 1.00 0.00 C ATOM 0 H THR A 14 1.407 36.686 -2.368 1.00 0.00 H new ATOM 0 HA THR A 14 1.663 39.457 -3.358 1.00 0.00 H new ATOM 0 HB THR A 14 -0.697 38.882 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.292 40.853 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.221 38.830 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.181 37.388 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.832 38.663 -0.638 1.00 0.00 H new ATOM 233 N PHE A 15 2.094 40.056 -0.853 1.00 0.00 N ATOM 234 CA PHE A 15 2.961 40.269 0.290 1.00 0.00 C ATOM 235 C PHE A 15 1.967 40.888 1.263 1.00 0.00 C ATOM 236 O PHE A 15 1.649 42.080 1.229 1.00 0.00 O ATOM 237 CB PHE A 15 4.106 41.260 -0.004 1.00 0.00 C ATOM 238 CG PHE A 15 5.351 41.168 0.866 1.00 0.00 C ATOM 239 CD1 PHE A 15 5.257 41.025 2.270 1.00 0.00 C ATOM 240 CD2 PHE A 15 6.626 41.281 0.270 1.00 0.00 C ATOM 241 CE1 PHE A 15 6.427 40.938 3.046 1.00 0.00 C ATOM 242 CE2 PHE A 15 7.796 41.153 1.044 1.00 0.00 C ATOM 243 CZ PHE A 15 7.700 40.971 2.437 1.00 0.00 C ATOM 0 H PHE A 15 1.756 40.915 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 15 3.470 39.367 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.410 41.126 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.708 42.271 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.288 40.983 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.705 41.468 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.351 40.845 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.765 41.194 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.593 40.858 3.034 1.00 0.00 H new ATOM 253 N ASP A 16 1.607 40.035 2.212 1.00 0.00 N ATOM 254 CA ASP A 16 0.481 40.209 3.136 1.00 0.00 C ATOM 255 C ASP A 16 0.845 39.435 4.404 1.00 0.00 C ATOM 256 O ASP A 16 1.808 38.662 4.439 1.00 0.00 O ATOM 257 CB ASP A 16 -0.846 39.606 2.555 1.00 0.00 C ATOM 258 CG ASP A 16 -1.942 40.654 2.538 1.00 0.00 C ATOM 259 OD1 ASP A 16 -2.071 41.364 3.518 1.00 0.00 O ATOM 260 OD2 ASP A 16 -2.675 40.694 1.469 1.00 0.00 O ATOM 0 H ASP A 16 2.110 39.162 2.371 1.00 0.00 H new ATOM 0 HA ASP A 16 0.313 41.271 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.673 39.236 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.159 38.753 3.157 1.00 0.00 H new ATOM 265 N ALA A 17 0.020 39.526 5.436 1.00 0.00 N ATOM 266 CA ALA A 17 0.359 39.051 6.770 1.00 0.00 C ATOM 267 C ALA A 17 -0.940 38.558 7.386 1.00 0.00 C ATOM 268 O ALA A 17 -2.044 38.767 6.888 1.00 0.00 O ATOM 269 CB ALA A 17 0.962 40.170 7.666 1.00 0.00 C ATOM 0 H ALA A 17 -0.912 39.935 5.371 1.00 0.00 H new ATOM 0 HA ALA A 17 1.116 38.270 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.197 39.762 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.872 40.554 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.240 40.980 7.772 1.00 0.00 H new ATOM 275 N ASN A 18 -0.804 37.796 8.460 1.00 0.00 N ATOM 276 CA ASN A 18 -1.910 37.017 9.022 1.00 0.00 C ATOM 277 C ASN A 18 -2.255 37.655 10.378 1.00 0.00 C ATOM 278 O ASN A 18 -1.408 38.323 10.979 1.00 0.00 O ATOM 279 CB ASN A 18 -1.462 35.546 9.228 1.00 0.00 C ATOM 280 CG ASN A 18 -2.150 34.551 8.319 1.00 0.00 C ATOM 281 OD1 ASN A 18 -2.572 33.494 8.708 1.00 0.00 O ATOM 282 ND2 ASN A 18 -2.169 34.794 7.030 1.00 0.00 N ATOM 0 H ASN A 18 0.073 37.696 8.971 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.774 37.019 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.386 35.481 9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.649 35.263 10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.536 34.094 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.817 35.682 6.673 1.00 0.00 H new ATOM 289 N PRO A 19 -3.503 37.494 10.835 1.00 0.00 N ATOM 290 CA PRO A 19 -3.978 38.151 12.032 1.00 0.00 C ATOM 291 C PRO A 19 -3.337 37.489 13.251 1.00 0.00 C ATOM 292 O PRO A 19 -3.896 36.562 13.815 1.00 0.00 O ATOM 293 CB PRO A 19 -5.513 38.002 11.969 1.00 0.00 C ATOM 294 CG PRO A 19 -5.712 36.686 11.234 1.00 0.00 C ATOM 295 CD PRO A 19 -4.556 36.673 10.236 1.00 0.00 C ATOM 0 HA PRO A 19 -3.714 39.206 12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.955 37.976 12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.975 38.833 11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.669 35.834 11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.679 36.646 10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.205 35.657 10.057 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.867 37.077 9.273 1.00 0.00 H new ATOM 303 N TYR A 20 -2.271 38.060 13.824 1.00 0.00 N ATOM 304 CA TYR A 20 -1.288 37.395 14.714 1.00 0.00 C ATOM 305 C TYR A 20 -0.994 35.857 14.618 1.00 0.00 C ATOM 306 O TYR A 20 -0.220 35.282 15.377 1.00 0.00 O ATOM 307 CB TYR A 20 -1.843 37.799 16.091 1.00 0.00 C ATOM 308 CG TYR A 20 -0.977 37.511 17.283 1.00 0.00 C ATOM 309 CD1 TYR A 20 0.219 38.218 17.467 1.00 0.00 C ATOM 310 CD2 TYR A 20 -1.391 36.560 18.237 1.00 0.00 C ATOM 311 CE1 TYR A 20 1.020 37.963 18.595 1.00 0.00 C ATOM 312 CE2 TYR A 20 -0.600 36.305 19.365 1.00 0.00 C ATOM 313 CZ TYR A 20 0.616 37.002 19.540 1.00 0.00 C ATOM 314 OH TYR A 20 1.380 36.750 20.626 1.00 0.00 O ATOM 0 H TYR A 20 -2.052 39.045 13.678 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.285 37.718 14.434 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.050 38.869 16.073 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.797 37.292 16.234 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.526 38.958 16.743 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.320 36.027 18.098 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.944 38.504 18.735 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.919 35.578 20.098 1.00 0.00 H new ATOM 0 HH TYR A 20 0.952 36.060 21.174 1.00 0.00 H new ATOM 324 N ASP A 21 -1.449 35.218 13.551 1.00 0.00 N ATOM 325 CA ASP A 21 -1.328 33.823 13.116 1.00 0.00 C ATOM 326 C ASP A 21 0.059 33.422 12.535 1.00 0.00 C ATOM 327 O ASP A 21 0.227 32.995 11.394 1.00 0.00 O ATOM 328 CB ASP A 21 -2.549 33.342 12.345 1.00 0.00 C ATOM 329 CG ASP A 21 -3.721 33.027 13.264 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.507 32.256 14.203 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.846 33.493 12.921 1.00 0.00 O ATOM 0 H ASP A 21 -1.994 35.741 12.865 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.338 33.230 14.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.847 34.106 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.288 32.451 11.773 1.00 0.00 H new ATOM 336 N SER A 22 1.129 33.800 13.255 1.00 0.00 N ATOM 337 CA SER A 22 2.526 33.533 12.888 1.00 0.00 C ATOM 338 C SER A 22 2.899 32.062 13.169 1.00 0.00 C ATOM 339 O SER A 22 3.513 31.413 12.312 1.00 0.00 O ATOM 340 CB SER A 22 3.436 34.423 13.729 1.00 0.00 C ATOM 341 OG SER A 22 4.807 34.174 13.471 1.00 0.00 O ATOM 0 H SER A 22 1.041 34.314 14.132 1.00 0.00 H new ATOM 0 HA SER A 22 2.648 33.736 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.212 35.469 13.522 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.230 34.256 14.786 1.00 0.00 H new ATOM 0 HG SER A 22 5.357 34.764 14.027 1.00 0.00 H new ATOM 347 N VAL A 23 2.340 31.454 14.222 1.00 0.00 N ATOM 348 CA VAL A 23 2.548 30.037 14.593 1.00 0.00 C ATOM 349 C VAL A 23 1.661 29.137 13.714 1.00 0.00 C ATOM 350 O VAL A 23 2.031 28.001 13.441 1.00 0.00 O ATOM 351 CB VAL A 23 2.313 29.727 16.075 1.00 0.00 C ATOM 352 CG1 VAL A 23 3.422 30.340 16.932 1.00 0.00 C ATOM 353 CG2 VAL A 23 0.942 30.179 16.578 1.00 0.00 C ATOM 0 H VAL A 23 1.712 31.942 14.861 1.00 0.00 H new ATOM 0 HA VAL A 23 3.604 29.830 14.417 1.00 0.00 H new ATOM 0 HB VAL A 23 2.335 28.641 16.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.240 30.110 17.982 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.385 29.926 16.632 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.433 31.421 16.794 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.841 29.929 17.634 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.844 31.257 16.449 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.161 29.674 16.010 1.00 0.00 H new ATOM 363 N LEU A 24 0.573 29.677 13.144 1.00 0.00 N ATOM 364 CA LEU A 24 -0.350 28.938 12.286 1.00 0.00 C ATOM 365 C LEU A 24 0.388 28.495 11.020 1.00 0.00 C ATOM 366 O LEU A 24 0.122 27.415 10.517 1.00 0.00 O ATOM 367 CB LEU A 24 -1.560 29.827 11.937 1.00 0.00 C ATOM 368 CG LEU A 24 -2.689 29.102 11.166 1.00 0.00 C ATOM 369 CD1 LEU A 24 -3.372 28.033 12.020 1.00 0.00 C ATOM 370 CD2 LEU A 24 -3.738 30.109 10.700 1.00 0.00 C ATOM 0 H LEU A 24 0.311 30.654 13.272 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.717 28.053 12.806 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.972 30.236 12.859 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.214 30.671 11.340 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.228 28.612 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.157 27.550 11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.638 27.288 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.808 28.498 12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.528 29.588 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.165 30.616 11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.271 30.843 10.043 1.00 0.00 H new ATOM 382 N LYS A 25 1.387 29.245 10.531 1.00 0.00 N ATOM 383 CA LYS A 25 2.146 28.931 9.310 1.00 0.00 C ATOM 384 C LYS A 25 3.053 27.715 9.521 1.00 0.00 C ATOM 385 O LYS A 25 2.982 26.786 8.723 1.00 0.00 O ATOM 386 CB LYS A 25 2.967 30.146 8.890 1.00 0.00 C ATOM 387 CG LYS A 25 2.198 31.046 7.908 1.00 0.00 C ATOM 388 CD LYS A 25 2.704 32.499 7.984 1.00 0.00 C ATOM 389 CE LYS A 25 2.382 33.252 6.688 1.00 0.00 C ATOM 390 NZ LYS A 25 1.018 33.847 6.693 1.00 0.00 N ATOM 0 H LYS A 25 1.697 30.105 10.983 1.00 0.00 H new ATOM 0 HA LYS A 25 1.441 28.683 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.240 30.723 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.896 29.814 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.316 30.668 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.133 31.015 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.241 33.007 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.780 32.506 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.118 34.042 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.473 32.569 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.853 34.344 5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.311 33.093 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.936 34.521 7.481 1.00 0.00 H new ATOM 404 N ILE A 26 3.867 27.682 10.575 1.00 0.00 N ATOM 405 CA ILE A 26 4.793 26.564 10.860 1.00 0.00 C ATOM 406 C ILE A 26 3.944 25.340 11.258 1.00 0.00 C ATOM 407 O ILE A 26 4.226 24.242 10.800 1.00 0.00 O ATOM 408 CB ILE A 26 5.849 26.902 11.939 1.00 0.00 C ATOM 409 CG1 ILE A 26 6.686 25.645 12.285 1.00 0.00 C ATOM 410 CG2 ILE A 26 5.229 27.542 13.196 1.00 0.00 C ATOM 411 CD1 ILE A 26 7.823 25.873 13.286 1.00 0.00 C ATOM 0 H ILE A 26 3.910 28.431 11.266 1.00 0.00 H new ATOM 0 HA ILE A 26 5.374 26.352 9.963 1.00 0.00 H new ATOM 0 HB ILE A 26 6.517 27.655 11.520 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.018 24.883 12.686 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.109 25.245 11.364 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.015 27.758 13.920 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.724 28.468 12.921 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.509 26.853 13.638 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.347 24.934 13.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.520 26.608 12.884 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.412 26.240 14.226 1.00 0.00 H new ATOM 423 N LYS A 27 2.841 25.538 11.993 1.00 0.00 N ATOM 424 CA LYS A 27 1.981 24.454 12.464 1.00 0.00 C ATOM 425 C LYS A 27 1.154 23.879 11.305 1.00 0.00 C ATOM 426 O LYS A 27 0.953 22.665 11.284 1.00 0.00 O ATOM 427 CB LYS A 27 1.074 24.955 13.600 1.00 0.00 C ATOM 428 CG LYS A 27 0.615 23.816 14.516 1.00 0.00 C ATOM 429 CD LYS A 27 -0.840 24.023 14.968 1.00 0.00 C ATOM 430 CE LYS A 27 -1.130 23.229 16.254 1.00 0.00 C ATOM 431 NZ LYS A 27 -1.968 22.032 16.012 1.00 0.00 N ATOM 0 H LYS A 27 2.522 26.464 12.277 1.00 0.00 H new ATOM 0 HA LYS A 27 2.606 23.652 12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.609 25.700 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.202 25.451 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.705 22.865 13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.266 23.762 15.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.025 25.083 15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.520 23.705 14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.187 22.922 16.706 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.631 23.879 16.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.132 21.535 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.880 22.323 15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.481 21.396 15.349 1.00 0.00 H new ATOM 445 N GLU A 28 0.804 24.686 10.299 1.00 0.00 N ATOM 446 CA GLU A 28 0.034 24.271 9.107 1.00 0.00 C ATOM 447 C GLU A 28 0.901 23.364 8.240 1.00 0.00 C ATOM 448 O GLU A 28 0.385 22.434 7.654 1.00 0.00 O ATOM 449 CB GLU A 28 -0.390 25.468 8.234 1.00 0.00 C ATOM 450 CG GLU A 28 -1.808 25.956 8.555 1.00 0.00 C ATOM 451 CD GLU A 28 -2.841 25.026 7.905 1.00 0.00 C ATOM 452 OE1 GLU A 28 -3.043 25.122 6.722 1.00 0.00 O ATOM 453 OE2 GLU A 28 -3.354 24.132 8.704 1.00 0.00 O ATOM 0 H GLU A 28 1.052 25.675 10.284 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.860 23.763 9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.314 26.287 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.336 25.184 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.957 25.982 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.943 26.974 8.190 1.00 0.00 H new ATOM 460 N HIS A 29 2.228 23.520 8.259 1.00 0.00 N ATOM 461 CA HIS A 29 3.169 22.667 7.518 1.00 0.00 C ATOM 462 C HIS A 29 3.231 21.268 8.142 1.00 0.00 C ATOM 463 O HIS A 29 3.690 20.328 7.519 1.00 0.00 O ATOM 464 CB HIS A 29 4.567 23.293 7.473 1.00 0.00 C ATOM 465 CG HIS A 29 5.541 22.553 6.577 1.00 0.00 C ATOM 466 ND1 HIS A 29 5.303 22.213 5.251 1.00 0.00 N ATOM 467 CD2 HIS A 29 6.754 22.073 6.955 1.00 0.00 C ATOM 468 CE1 HIS A 29 6.355 21.478 4.871 1.00 0.00 C ATOM 469 NE2 HIS A 29 7.261 21.393 5.870 1.00 0.00 N ATOM 0 H HIS A 29 2.688 24.254 8.798 1.00 0.00 H new ATOM 0 HA HIS A 29 2.806 22.579 6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.482 24.324 7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.972 23.327 8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.228 22.200 7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.465 21.017 3.901 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.159 20.912 5.828 1.00 0.00 H new ATOM 477 N VAL A 30 2.765 21.092 9.381 1.00 0.00 N ATOM 478 CA VAL A 30 2.752 19.842 10.163 1.00 0.00 C ATOM 479 C VAL A 30 1.342 19.245 10.259 1.00 0.00 C ATOM 480 O VAL A 30 1.203 18.016 10.362 1.00 0.00 O ATOM 481 CB VAL A 30 3.464 19.995 11.506 1.00 0.00 C ATOM 482 CG1 VAL A 30 3.769 18.619 12.106 1.00 0.00 C ATOM 483 CG2 VAL A 30 4.792 20.746 11.368 1.00 0.00 C ATOM 0 H VAL A 30 2.358 21.868 9.904 1.00 0.00 H new ATOM 0 HA VAL A 30 3.340 19.103 9.619 1.00 0.00 H new ATOM 0 HB VAL A 30 2.794 20.563 12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.276 18.744 13.063 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.838 18.074 12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.410 18.059 11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.265 20.832 12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.451 20.199 10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.607 21.742 10.966 1.00 0.00 H new ATOM 493 N ARG A 31 0.275 20.064 10.138 1.00 0.00 N ATOM 494 CA ARG A 31 -1.112 19.710 10.472 1.00 0.00 C ATOM 495 C ARG A 31 -1.714 19.243 9.139 1.00 0.00 C ATOM 496 O ARG A 31 -2.187 19.990 8.304 1.00 0.00 O ATOM 497 CB ARG A 31 -1.880 20.985 10.942 1.00 0.00 C ATOM 498 CG ARG A 31 -2.426 20.897 12.378 1.00 0.00 C ATOM 499 CD ARG A 31 -3.825 20.251 12.423 1.00 0.00 C ATOM 500 NE ARG A 31 -3.856 18.972 13.164 1.00 0.00 N ATOM 501 CZ ARG A 31 -4.889 18.144 13.198 1.00 0.00 C ATOM 502 NH1 ARG A 31 -5.981 18.367 12.522 1.00 0.00 N ATOM 503 NH2 ARG A 31 -4.843 17.073 13.939 1.00 0.00 N ATOM 0 H ARG A 31 0.364 21.020 9.793 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.171 18.961 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.213 21.844 10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.710 21.168 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.738 20.316 12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.474 21.897 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.524 20.948 12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.172 20.081 11.404 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.021 18.708 13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.060 19.202 11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.756 17.706 12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.011 16.872 14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.639 16.436 13.965 1.00 0.00 H new ATOM 517 N SER A 32 -1.598 17.923 8.956 1.00 0.00 N ATOM 518 CA SER A 32 -1.943 17.224 7.715 1.00 0.00 C ATOM 519 C SER A 32 -1.127 17.659 6.474 1.00 0.00 C ATOM 520 O SER A 32 -1.572 17.492 5.349 1.00 0.00 O ATOM 521 CB SER A 32 -3.462 17.269 7.497 1.00 0.00 C ATOM 522 OG SER A 32 -3.914 16.026 6.998 1.00 0.00 O ATOM 0 H SER A 32 -1.254 17.297 9.684 1.00 0.00 H new ATOM 0 HA SER A 32 -1.643 16.184 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.966 17.499 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.714 18.065 6.797 1.00 0.00 H new ATOM 0 HG SER A 32 -4.884 16.061 6.863 1.00 0.00 H new ATOM 528 N LYS A 33 0.082 18.225 6.686 1.00 0.00 N ATOM 529 CA LYS A 33 1.046 18.650 5.635 1.00 0.00 C ATOM 530 C LYS A 33 2.358 17.855 5.702 1.00 0.00 C ATOM 531 O LYS A 33 2.825 17.354 4.708 1.00 0.00 O ATOM 532 CB LYS A 33 1.316 20.152 5.657 1.00 0.00 C ATOM 533 CG LYS A 33 0.419 21.122 4.849 1.00 0.00 C ATOM 534 CD LYS A 33 -1.077 21.063 5.162 1.00 0.00 C ATOM 535 CE LYS A 33 -1.866 20.325 4.082 1.00 0.00 C ATOM 536 NZ LYS A 33 -2.483 21.260 3.111 1.00 0.00 N ATOM 0 H LYS A 33 0.430 18.407 7.627 1.00 0.00 H new ATOM 0 HA LYS A 33 0.568 18.425 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.278 20.471 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.340 20.300 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.768 22.140 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.557 20.916 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.226 20.567 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.465 22.077 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.204 19.638 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.644 19.722 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.009 20.720 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.134 21.899 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.739 21.818 2.646 1.00 0.00 H new ATOM 550 N THR A 34 2.904 17.617 6.905 1.00 0.00 N ATOM 551 CA THR A 34 4.152 16.832 7.047 1.00 0.00 C ATOM 552 C THR A 34 3.819 15.345 6.912 1.00 0.00 C ATOM 553 O THR A 34 4.675 14.544 6.578 1.00 0.00 O ATOM 554 CB THR A 34 4.909 17.104 8.366 1.00 0.00 C ATOM 555 OG1 THR A 34 5.484 18.377 8.362 1.00 0.00 O ATOM 556 CG2 THR A 34 6.071 16.148 8.659 1.00 0.00 C ATOM 0 H THR A 34 2.511 17.949 7.786 1.00 0.00 H new ATOM 0 HA THR A 34 4.828 17.148 6.253 1.00 0.00 H new ATOM 0 HB THR A 34 4.135 16.977 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.828 19.031 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.537 16.422 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.695 15.127 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.808 16.215 7.859 1.00 0.00 H new ATOM 564 N LYS A 35 2.556 14.949 7.162 1.00 0.00 N ATOM 565 CA LYS A 35 2.121 13.554 7.102 1.00 0.00 C ATOM 566 C LYS A 35 1.958 13.105 5.637 1.00 0.00 C ATOM 567 O LYS A 35 2.339 11.979 5.346 1.00 0.00 O ATOM 568 CB LYS A 35 0.739 13.382 7.770 1.00 0.00 C ATOM 569 CG LYS A 35 0.758 12.845 9.213 1.00 0.00 C ATOM 570 CD LYS A 35 0.878 13.935 10.288 1.00 0.00 C ATOM 571 CE LYS A 35 2.336 14.310 10.581 1.00 0.00 C ATOM 572 NZ LYS A 35 2.393 15.518 11.434 1.00 0.00 N ATOM 0 H LYS A 35 1.810 15.598 7.412 1.00 0.00 H new ATOM 0 HA LYS A 35 2.878 12.961 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.232 14.347 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.142 12.706 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.155 12.276 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.592 12.151 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.336 14.823 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.403 13.590 11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.839 13.481 11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.867 14.491 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.385 15.752 11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.945 16.315 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.888 15.338 12.325 1.00 0.00 H new ATOM 586 N VAL A 36 1.484 13.964 4.734 1.00 0.00 N ATOM 587 CA VAL A 36 1.241 13.607 3.327 1.00 0.00 C ATOM 588 C VAL A 36 2.256 14.367 2.438 1.00 0.00 C ATOM 589 O VAL A 36 2.427 15.578 2.607 1.00 0.00 O ATOM 590 CB VAL A 36 -0.227 13.925 2.929 1.00 0.00 C ATOM 591 CG1 VAL A 36 -0.583 15.429 2.880 1.00 0.00 C ATOM 592 CG2 VAL A 36 -0.604 13.300 1.587 1.00 0.00 C ATOM 0 H VAL A 36 1.255 14.933 4.955 1.00 0.00 H new ATOM 0 HA VAL A 36 1.383 12.536 3.183 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.806 13.481 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.628 15.546 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.425 15.873 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.052 15.930 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.638 13.548 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.052 13.689 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.495 12.217 1.646 1.00 0.00 H new ATOM 602 N PRO A 37 3.020 13.673 1.569 1.00 0.00 N ATOM 603 CA PRO A 37 3.954 14.316 0.632 1.00 0.00 C ATOM 604 C PRO A 37 3.155 15.079 -0.414 1.00 0.00 C ATOM 605 O PRO A 37 2.090 14.603 -0.795 1.00 0.00 O ATOM 606 CB PRO A 37 4.701 13.188 -0.057 1.00 0.00 C ATOM 607 CG PRO A 37 3.689 12.050 -0.038 1.00 0.00 C ATOM 608 CD PRO A 37 2.978 12.240 1.303 1.00 0.00 C ATOM 0 HA PRO A 37 4.630 15.002 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.989 13.456 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.615 12.925 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.994 12.115 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.176 11.077 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.950 11.880 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.477 11.680 2.094 1.00 0.00 H new ATOM 616 N VAL A 38 3.349 16.378 -0.563 1.00 0.00 N ATOM 617 CA VAL A 38 2.930 17.122 -1.765 1.00 0.00 C ATOM 618 C VAL A 38 1.893 18.072 -1.179 1.00 0.00 C ATOM 619 O VAL A 38 0.874 17.524 -0.747 1.00 0.00 O ATOM 620 CB VAL A 38 2.670 16.393 -3.102 1.00 0.00 C ATOM 621 CG1 VAL A 38 1.805 17.255 -4.020 1.00 0.00 C ATOM 622 CG2 VAL A 38 4.000 16.108 -3.834 1.00 0.00 C ATOM 0 H VAL A 38 3.802 16.959 0.142 1.00 0.00 H new ATOM 0 HA VAL A 38 3.756 17.638 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 38 2.161 15.457 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.631 16.727 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.850 17.458 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.316 18.196 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.796 15.594 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.511 17.049 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.633 15.480 -3.207 1.00 0.00 H new ATOM 632 N GLN A 39 2.006 19.399 -1.152 1.00 0.00 N ATOM 633 CA GLN A 39 0.944 20.136 -0.442 1.00 0.00 C ATOM 634 C GLN A 39 -0.023 20.774 -1.452 1.00 0.00 C ATOM 635 O GLN A 39 -1.144 20.313 -1.575 1.00 0.00 O ATOM 636 CB GLN A 39 1.551 21.194 0.504 1.00 0.00 C ATOM 637 CG GLN A 39 2.667 20.694 1.437 1.00 0.00 C ATOM 638 CD GLN A 39 2.401 19.316 2.040 1.00 0.00 C ATOM 639 OE1 GLN A 39 1.301 19.031 2.473 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.410 18.480 2.116 1.00 0.00 N ATOM 0 H GLN A 39 2.751 19.955 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 39 0.379 19.435 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.947 22.010 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.750 21.609 1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.604 20.661 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.801 21.413 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.322 18.746 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.282 17.564 2.547 1.00 0.00 H new ATOM 649 N ASP A 40 0.450 21.768 -2.200 1.00 0.00 N ATOM 650 CA ASP A 40 -0.227 22.330 -3.384 1.00 0.00 C ATOM 651 C ASP A 40 0.722 23.346 -4.041 1.00 0.00 C ATOM 652 O ASP A 40 0.922 23.390 -5.260 1.00 0.00 O ATOM 653 CB ASP A 40 -1.531 23.053 -2.981 1.00 0.00 C ATOM 654 CG ASP A 40 -2.762 22.440 -3.666 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.813 22.433 -4.902 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.696 22.061 -2.903 1.00 0.00 O ATOM 0 H ASP A 40 1.340 22.223 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.477 21.522 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.655 23.002 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.457 24.108 -3.244 1.00 0.00 H new ATOM 661 N GLN A 41 1.427 24.113 -3.206 1.00 0.00 N ATOM 662 CA GLN A 41 2.224 25.248 -3.620 1.00 0.00 C ATOM 663 C GLN A 41 3.265 25.487 -2.524 1.00 0.00 C ATOM 664 O GLN A 41 2.945 25.860 -1.394 1.00 0.00 O ATOM 665 CB GLN A 41 1.307 26.484 -3.821 1.00 0.00 C ATOM 666 CG GLN A 41 1.791 27.447 -4.920 1.00 0.00 C ATOM 667 CD GLN A 41 1.376 28.896 -4.704 1.00 0.00 C ATOM 668 OE1 GLN A 41 1.362 29.399 -3.590 1.00 0.00 O ATOM 669 NE2 GLN A 41 1.098 29.623 -5.767 1.00 0.00 N ATOM 0 H GLN A 41 1.454 23.950 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 41 2.726 25.065 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.302 26.142 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.236 27.029 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.878 27.397 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.403 27.109 -5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.111 29.197 -6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.869 30.612 -5.663 1.00 0.00 H new ATOM 678 N VAL A 42 4.554 25.323 -2.856 1.00 0.00 N ATOM 679 CA VAL A 42 5.645 25.323 -1.873 1.00 0.00 C ATOM 680 C VAL A 42 6.744 26.222 -2.433 1.00 0.00 C ATOM 681 O VAL A 42 7.021 26.233 -3.628 1.00 0.00 O ATOM 682 CB VAL A 42 6.217 23.905 -1.558 1.00 0.00 C ATOM 683 CG1 VAL A 42 5.177 22.905 -1.027 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.995 23.177 -2.667 1.00 0.00 C ATOM 0 H VAL A 42 4.869 25.186 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 42 5.254 25.687 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 42 6.933 24.192 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.659 21.947 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.745 23.286 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.389 22.772 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.329 22.206 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.348 23.035 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.861 23.773 -2.956 1.00 0.00 H new ATOM 694 N LEU A 43 7.494 26.906 -1.567 1.00 0.00 N ATOM 695 CA LEU A 43 8.392 27.979 -2.015 1.00 0.00 C ATOM 696 C LEU A 43 9.768 27.581 -1.494 1.00 0.00 C ATOM 697 O LEU A 43 9.902 26.802 -0.551 1.00 0.00 O ATOM 698 CB LEU A 43 7.982 29.379 -1.439 1.00 0.00 C ATOM 699 CG LEU A 43 8.763 30.580 -2.042 1.00 0.00 C ATOM 700 CD1 LEU A 43 7.837 31.777 -2.285 1.00 0.00 C ATOM 701 CD2 LEU A 43 9.908 31.111 -1.164 1.00 0.00 C ATOM 0 H LEU A 43 7.500 26.741 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 43 8.360 28.085 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.917 29.531 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.131 29.371 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 43 9.180 30.173 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.411 32.602 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.048 31.491 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.392 32.091 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.394 31.947 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.508 31.446 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.635 30.317 -0.995 1.00 0.00 H new ATOM 713 N LEU A 44 10.806 28.181 -2.035 1.00 0.00 N ATOM 714 CA LEU A 44 12.183 27.780 -1.825 1.00 0.00 C ATOM 715 C LEU A 44 13.028 29.047 -1.972 1.00 0.00 C ATOM 716 O LEU A 44 12.747 29.957 -2.741 1.00 0.00 O ATOM 717 CB LEU A 44 12.714 26.728 -2.857 1.00 0.00 C ATOM 718 CG LEU A 44 12.261 25.257 -2.680 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.963 24.927 -3.413 1.00 0.00 C ATOM 720 CD2 LEU A 44 13.324 24.275 -3.205 1.00 0.00 C ATOM 0 H LEU A 44 10.713 28.987 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 44 12.247 27.308 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.415 27.054 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.803 26.750 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 44 12.109 25.147 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.706 23.881 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.161 25.562 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.094 25.102 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.975 23.252 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.496 24.458 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.255 24.418 -2.656 1.00 0.00 H new ATOM 732 N LEU A 45 14.092 29.143 -1.169 1.00 0.00 N ATOM 733 CA LEU A 45 14.861 30.386 -1.071 1.00 0.00 C ATOM 734 C LEU A 45 16.189 30.125 -0.349 1.00 0.00 C ATOM 735 O LEU A 45 16.258 30.002 0.865 1.00 0.00 O ATOM 736 CB LEU A 45 14.097 31.493 -0.293 1.00 0.00 C ATOM 737 CG LEU A 45 14.826 32.854 -0.465 1.00 0.00 C ATOM 738 CD1 LEU A 45 13.913 33.833 -1.183 1.00 0.00 C ATOM 739 CD2 LEU A 45 15.233 33.478 0.878 1.00 0.00 C ATOM 0 H LEU A 45 14.437 28.383 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 45 15.031 30.731 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.074 31.569 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.037 31.233 0.764 1.00 0.00 H new ATOM 0 HG LEU A 45 15.731 32.658 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.426 34.787 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.652 33.435 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.005 33.980 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.738 34.427 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.343 33.649 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.906 32.802 1.404 1.00 0.00 H new ATOM 751 N GLY A 46 17.241 30.040 -1.165 1.00 0.00 N ATOM 752 CA GLY A 46 18.595 29.754 -0.703 1.00 0.00 C ATOM 753 C GLY A 46 18.737 28.297 -0.246 1.00 0.00 C ATOM 754 O GLY A 46 19.045 28.038 0.910 1.00 0.00 O ATOM 0 H GLY A 46 17.173 30.169 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 46 19.305 29.955 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.848 30.421 0.121 1.00 0.00 H new ATOM 758 N SER A 47 18.442 27.359 -1.159 1.00 0.00 N ATOM 759 CA SER A 47 18.517 25.909 -0.917 1.00 0.00 C ATOM 760 C SER A 47 17.634 25.369 0.227 1.00 0.00 C ATOM 761 O SER A 47 17.817 24.231 0.673 1.00 0.00 O ATOM 762 CB SER A 47 19.967 25.428 -0.794 1.00 0.00 C ATOM 763 OG SER A 47 20.744 25.979 -1.834 1.00 0.00 O ATOM 0 H SER A 47 18.139 27.591 -2.105 1.00 0.00 H new ATOM 0 HA SER A 47 18.077 25.471 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 47 20.376 25.722 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 47 20.004 24.340 -0.838 1.00 0.00 H new ATOM 0 HG SER A 47 21.670 25.670 -1.750 1.00 0.00 H new ATOM 769 N LYS A 48 16.629 26.121 0.670 1.00 0.00 N ATOM 770 CA LYS A 48 15.762 25.771 1.809 1.00 0.00 C ATOM 771 C LYS A 48 14.300 25.840 1.345 1.00 0.00 C ATOM 772 O LYS A 48 14.025 26.426 0.308 1.00 0.00 O ATOM 773 CB LYS A 48 16.050 26.743 2.992 1.00 0.00 C ATOM 774 CG LYS A 48 15.252 28.069 3.021 1.00 0.00 C ATOM 775 CD LYS A 48 14.001 28.048 3.912 1.00 0.00 C ATOM 776 CE LYS A 48 14.116 28.842 5.211 1.00 0.00 C ATOM 777 NZ LYS A 48 15.195 28.305 6.080 1.00 0.00 N ATOM 0 H LYS A 48 16.383 27.013 0.241 1.00 0.00 H new ATOM 0 HA LYS A 48 15.962 24.759 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.856 26.210 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.112 26.987 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.912 28.866 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.952 28.319 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.160 28.438 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.766 27.012 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.317 29.889 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.166 28.809 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.248 28.866 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.989 27.313 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.104 28.360 5.578 1.00 0.00 H new ATOM 791 N ILE A 49 13.359 25.429 2.197 1.00 0.00 N ATOM 792 CA ILE A 49 11.946 25.364 1.843 1.00 0.00 C ATOM 793 C ILE A 49 11.251 26.385 2.754 1.00 0.00 C ATOM 794 O ILE A 49 11.383 26.380 3.975 1.00 0.00 O ATOM 795 CB ILE A 49 11.354 23.928 2.023 1.00 0.00 C ATOM 796 CG1 ILE A 49 9.922 23.799 1.446 1.00 0.00 C ATOM 797 CG2 ILE A 49 11.333 23.402 3.473 1.00 0.00 C ATOM 798 CD1 ILE A 49 9.941 23.375 -0.026 1.00 0.00 C ATOM 0 H ILE A 49 13.559 25.132 3.152 1.00 0.00 H new ATOM 0 HA ILE A 49 11.794 25.595 0.789 1.00 0.00 H new ATOM 0 HB ILE A 49 12.053 23.311 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.359 23.069 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.403 24.753 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.905 22.400 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.350 23.368 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.729 24.066 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.918 23.295 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.481 24.119 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.437 22.409 -0.120 1.00 0.00 H new ATOM 810 N LEU A 50 10.479 27.277 2.133 1.00 0.00 N ATOM 811 CA LEU A 50 9.810 28.352 2.816 1.00 0.00 C ATOM 812 C LEU A 50 8.348 27.922 2.712 1.00 0.00 C ATOM 813 O LEU A 50 7.713 27.909 1.658 1.00 0.00 O ATOM 814 CB LEU A 50 10.050 29.752 2.162 1.00 0.00 C ATOM 815 CG LEU A 50 10.100 30.957 3.135 1.00 0.00 C ATOM 816 CD1 LEU A 50 11.367 30.914 3.998 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.093 32.297 2.383 1.00 0.00 C ATOM 0 H LEU A 50 10.307 27.261 1.128 1.00 0.00 H new ATOM 0 HA LEU A 50 10.169 28.494 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.989 29.717 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.259 29.931 1.434 1.00 0.00 H new ATOM 0 HG LEU A 50 9.210 30.882 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.377 31.771 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.379 29.993 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.247 30.947 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.129 33.117 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.962 32.351 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.183 32.375 1.788 1.00 0.00 H new ATOM 829 N LYS A 51 7.776 27.751 3.893 1.00 0.00 N ATOM 830 CA LYS A 51 6.368 27.402 4.075 1.00 0.00 C ATOM 831 C LYS A 51 5.656 28.754 4.180 1.00 0.00 C ATOM 832 O LYS A 51 4.632 28.924 3.516 1.00 0.00 O ATOM 833 CB LYS A 51 6.156 26.586 5.386 1.00 0.00 C ATOM 834 CG LYS A 51 4.759 26.776 6.012 1.00 0.00 C ATOM 835 CD LYS A 51 3.632 26.184 5.143 1.00 0.00 C ATOM 836 CE LYS A 51 2.256 26.556 5.694 1.00 0.00 C ATOM 837 NZ LYS A 51 1.453 27.307 4.697 1.00 0.00 N ATOM 0 H LYS A 51 8.284 27.852 4.772 1.00 0.00 H new ATOM 0 HA LYS A 51 5.992 26.782 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.309 25.528 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.914 26.879 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.739 26.306 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.575 27.840 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.728 26.549 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.730 25.099 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.723 25.651 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.375 27.158 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.526 27.543 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.951 28.183 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.319 26.722 3.848 1.00 0.00 H new ATOM 851 N PRO A 52 6.088 29.730 5.012 1.00 0.00 N ATOM 852 CA PRO A 52 5.404 31.011 5.098 1.00 0.00 C ATOM 853 C PRO A 52 5.722 31.941 3.917 1.00 0.00 C ATOM 854 O PRO A 52 6.686 31.778 3.173 1.00 0.00 O ATOM 855 CB PRO A 52 5.860 31.594 6.434 1.00 0.00 C ATOM 856 CG PRO A 52 7.288 31.083 6.564 1.00 0.00 C ATOM 857 CD PRO A 52 7.155 29.680 6.012 1.00 0.00 C ATOM 0 HA PRO A 52 4.322 30.893 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.820 32.683 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.233 31.253 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.993 31.685 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.633 31.087 7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.092 29.348 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.912 28.972 6.804 1.00 0.00 H new ATOM 865 N ARG A 53 4.942 33.010 3.831 1.00 0.00 N ATOM 866 CA ARG A 53 4.836 33.952 2.703 1.00 0.00 C ATOM 867 C ARG A 53 4.594 35.389 3.181 1.00 0.00 C ATOM 868 O ARG A 53 3.640 36.022 2.763 1.00 0.00 O ATOM 869 CB ARG A 53 3.918 33.440 1.569 1.00 0.00 C ATOM 870 CG ARG A 53 4.706 32.854 0.374 1.00 0.00 C ATOM 871 CD ARG A 53 5.072 33.890 -0.712 1.00 0.00 C ATOM 872 NE ARG A 53 6.466 34.382 -0.610 1.00 0.00 N ATOM 873 CZ ARG A 53 6.921 35.422 0.045 1.00 0.00 C ATOM 874 NH1 ARG A 53 6.149 36.190 0.764 1.00 0.00 N ATOM 875 NH2 ARG A 53 8.196 35.711 0.013 1.00 0.00 N ATOM 0 H ARG A 53 4.319 33.268 4.597 1.00 0.00 H new ATOM 0 HA ARG A 53 5.808 34.000 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.250 32.676 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.292 34.260 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.622 32.396 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.115 32.060 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.923 33.443 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.389 34.737 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 53 7.165 33.839 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.151 35.990 0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.544 36.990 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.838 35.127 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.548 36.521 0.523 1.00 0.00 H new ATOM 889 N ARG A 54 5.347 35.830 4.192 1.00 0.00 N ATOM 890 CA ARG A 54 5.236 37.190 4.777 1.00 0.00 C ATOM 891 C ARG A 54 6.545 37.652 5.404 1.00 0.00 C ATOM 892 O ARG A 54 7.438 36.828 5.583 1.00 0.00 O ATOM 893 CB ARG A 54 4.087 37.202 5.816 1.00 0.00 C ATOM 894 CG ARG A 54 4.307 36.362 7.094 1.00 0.00 C ATOM 895 CD ARG A 54 4.769 37.187 8.305 1.00 0.00 C ATOM 896 NE ARG A 54 4.925 36.322 9.488 1.00 0.00 N ATOM 897 CZ ARG A 54 5.943 35.531 9.757 1.00 0.00 C ATOM 898 NH1 ARG A 54 6.984 35.457 8.960 1.00 0.00 N ATOM 899 NH2 ARG A 54 5.930 34.765 10.811 1.00 0.00 N ATOM 0 H ARG A 54 6.061 35.255 4.639 1.00 0.00 H new ATOM 0 HA ARG A 54 5.012 37.894 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.906 38.235 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.180 36.848 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.378 35.852 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.048 35.590 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.715 37.678 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.044 37.973 8.515 1.00 0.00 H new ATOM 0 HE ARG A 54 4.166 36.338 10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.017 36.020 8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.760 34.836 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.126 34.774 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.724 34.156 11.009 1.00 0.00 H new ATOM 913 N SER A 55 6.620 38.910 5.848 1.00 0.00 N ATOM 914 CA SER A 55 7.734 39.362 6.693 1.00 0.00 C ATOM 915 C SER A 55 7.214 40.303 7.803 1.00 0.00 C ATOM 916 O SER A 55 6.005 40.276 8.045 1.00 0.00 O ATOM 917 CB SER A 55 8.655 40.147 5.728 1.00 0.00 C ATOM 918 OG SER A 55 9.912 40.462 6.307 1.00 0.00 O ATOM 0 H SER A 55 5.929 39.631 5.639 1.00 0.00 H new ATOM 0 HA SER A 55 8.245 38.534 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.813 39.559 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.157 41.069 5.426 1.00 0.00 H new ATOM 0 HG SER A 55 10.457 40.955 5.658 1.00 0.00 H new ATOM 924 N LEU A 56 8.018 41.245 8.288 1.00 0.00 N ATOM 925 CA LEU A 56 7.707 42.036 9.499 1.00 0.00 C ATOM 926 C LEU A 56 7.442 43.486 9.084 1.00 0.00 C ATOM 927 O LEU A 56 6.372 44.005 9.327 1.00 0.00 O ATOM 928 CB LEU A 56 8.796 41.923 10.589 1.00 0.00 C ATOM 929 CG LEU A 56 9.403 40.535 10.857 1.00 0.00 C ATOM 930 CD1 LEU A 56 10.437 40.633 11.989 1.00 0.00 C ATOM 931 CD2 LEU A 56 8.381 39.458 11.217 1.00 0.00 C ATOM 0 H LEU A 56 8.910 41.490 7.858 1.00 0.00 H new ATOM 0 HA LEU A 56 6.810 41.626 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.609 42.598 10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.373 42.289 11.524 1.00 0.00 H new ATOM 0 HG LEU A 56 9.863 40.228 9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.865 39.648 12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.229 41.324 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.952 40.996 12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.895 38.512 11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.847 39.751 12.121 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.671 39.341 10.398 1.00 0.00 H new ATOM 943 N SER A 57 8.222 44.014 8.144 1.00 0.00 N ATOM 944 CA SER A 57 8.776 45.360 8.050 1.00 0.00 C ATOM 945 C SER A 57 8.318 46.441 9.048 1.00 0.00 C ATOM 946 O SER A 57 8.171 46.086 10.213 1.00 0.00 O ATOM 947 CB SER A 57 7.927 45.660 6.749 1.00 0.00 C ATOM 948 OG SER A 57 8.291 44.845 5.631 1.00 0.00 O ATOM 0 H SER A 57 8.511 43.449 7.346 1.00 0.00 H new ATOM 0 HA SER A 57 9.861 45.388 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.871 45.508 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.049 46.709 6.479 1.00 0.00 H new ATOM 0 HG SER A 57 7.732 44.040 5.617 1.00 0.00 H new ATOM 954 N SER A 58 8.093 47.708 8.691 1.00 0.00 N ATOM 955 CA SER A 58 7.834 48.762 9.701 1.00 0.00 C ATOM 956 C SER A 58 8.814 48.880 10.910 1.00 0.00 C ATOM 957 O SER A 58 8.503 49.536 11.897 1.00 0.00 O ATOM 958 CB SER A 58 6.356 48.741 10.076 1.00 0.00 C ATOM 959 OG SER A 58 5.911 50.016 10.497 1.00 0.00 O ATOM 0 H SER A 58 8.083 48.036 7.725 1.00 0.00 H new ATOM 0 HA SER A 58 8.076 49.704 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.767 48.413 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.192 48.016 10.873 1.00 0.00 H new ATOM 0 HG SER A 58 6.542 50.383 11.151 1.00 0.00 H new ATOM 965 N TYR A 59 10.020 48.291 10.864 1.00 0.00 N ATOM 966 CA TYR A 59 10.869 48.113 12.068 1.00 0.00 C ATOM 967 C TYR A 59 11.936 49.218 12.122 1.00 0.00 C ATOM 968 O TYR A 59 12.560 49.442 13.150 1.00 0.00 O ATOM 969 CB TYR A 59 11.592 46.751 11.953 1.00 0.00 C ATOM 970 CG TYR A 59 12.539 46.401 13.099 1.00 0.00 C ATOM 971 CD1 TYR A 59 12.044 46.395 14.420 1.00 0.00 C ATOM 972 CD2 TYR A 59 13.898 46.122 12.869 1.00 0.00 C ATOM 973 CE1 TYR A 59 12.898 46.129 15.501 1.00 0.00 C ATOM 974 CE2 TYR A 59 14.762 45.847 13.951 1.00 0.00 C ATOM 975 CZ TYR A 59 14.267 45.860 15.273 1.00 0.00 C ATOM 976 OH TYR A 59 15.083 45.607 16.332 1.00 0.00 O ATOM 0 H TYR A 59 10.436 47.927 10.007 1.00 0.00 H new ATOM 0 HA TYR A 59 10.249 48.157 12.963 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.839 45.967 11.877 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.159 46.740 11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.999 46.597 14.601 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.283 46.118 11.860 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.509 46.130 16.509 1.00 0.00 H new ATOM 0 HE2 TYR A 59 15.803 45.626 13.767 1.00 0.00 H new ATOM 0 HH TYR A 59 15.994 45.440 16.011 1.00 0.00 H new ATOM 986 N GLY A 60 12.082 49.981 11.036 1.00 0.00 N ATOM 987 CA GLY A 60 12.970 51.145 10.950 1.00 0.00 C ATOM 988 C GLY A 60 13.509 51.393 9.547 1.00 0.00 C ATOM 989 O GLY A 60 14.160 52.398 9.311 1.00 0.00 O ATOM 0 H GLY A 60 11.574 49.803 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.430 52.030 11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.808 51.005 11.633 1.00 0.00 H new ATOM 993 N ILE A 61 13.073 50.611 8.569 1.00 0.00 N ATOM 994 CA ILE A 61 13.583 50.628 7.199 1.00 0.00 C ATOM 995 C ILE A 61 12.363 50.481 6.284 1.00 0.00 C ATOM 996 O ILE A 61 11.327 49.925 6.656 1.00 0.00 O ATOM 997 CB ILE A 61 14.576 49.453 6.875 1.00 0.00 C ATOM 998 CG1 ILE A 61 14.366 48.053 7.521 1.00 0.00 C ATOM 999 CG2 ILE A 61 16.015 49.879 7.178 1.00 0.00 C ATOM 1000 CD1 ILE A 61 13.027 47.363 7.238 1.00 0.00 C ATOM 0 H ILE A 61 12.331 49.925 8.708 1.00 0.00 H new ATOM 0 HA ILE A 61 14.139 51.554 7.054 1.00 0.00 H new ATOM 0 HB ILE A 61 14.353 49.291 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 61 15.167 47.397 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 61 14.475 48.156 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.694 49.057 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.275 50.744 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.103 50.140 8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.002 46.397 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.212 47.986 7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.914 47.215 6.164 1.00 0.00 H new ATOM 1012 N ASP A 62 12.575 50.826 5.023 1.00 0.00 N ATOM 1013 CA ASP A 62 11.521 50.995 4.047 1.00 0.00 C ATOM 1014 C ASP A 62 11.901 50.040 2.917 1.00 0.00 C ATOM 1015 O ASP A 62 13.009 49.475 2.845 1.00 0.00 O ATOM 1016 CB ASP A 62 11.457 52.442 3.474 1.00 0.00 C ATOM 1017 CG ASP A 62 10.123 53.088 3.824 1.00 0.00 C ATOM 1018 OD1 ASP A 62 9.144 52.728 3.101 1.00 0.00 O ATOM 1019 OD2 ASP A 62 10.072 53.785 4.839 1.00 0.00 O ATOM 0 H ASP A 62 13.507 50.999 4.646 1.00 0.00 H new ATOM 0 HA ASP A 62 10.547 50.801 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.275 53.038 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.585 52.418 2.392 1.00 0.00 H new ATOM 1024 N LYS A 63 10.958 49.803 2.008 1.00 0.00 N ATOM 1025 CA LYS A 63 11.123 48.814 0.934 1.00 0.00 C ATOM 1026 C LYS A 63 10.278 49.181 -0.235 1.00 0.00 C ATOM 1027 O LYS A 63 10.899 49.257 -1.286 1.00 0.00 O ATOM 1028 CB LYS A 63 10.708 47.376 1.325 1.00 0.00 C ATOM 1029 CG LYS A 63 11.879 46.554 1.863 1.00 0.00 C ATOM 1030 CD LYS A 63 11.439 45.109 2.172 1.00 0.00 C ATOM 1031 CE LYS A 63 12.538 44.334 2.907 1.00 0.00 C ATOM 1032 NZ LYS A 63 13.717 44.077 2.046 1.00 0.00 N ATOM 0 H LYS A 63 10.060 50.286 1.991 1.00 0.00 H new ATOM 0 HA LYS A 63 12.190 48.825 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.923 47.421 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.286 46.874 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.688 46.544 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.271 47.020 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.534 45.125 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.190 44.597 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.849 44.896 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.136 43.385 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.433 43.551 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.427 43.518 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.119 44.982 1.729 1.00 0.00 H new ATOM 1046 N GLU A 64 9.120 49.807 -0.135 1.00 0.00 N ATOM 1047 CA GLU A 64 8.000 49.626 -1.064 1.00 0.00 C ATOM 1048 C GLU A 64 8.353 49.281 -2.532 1.00 0.00 C ATOM 1049 O GLU A 64 7.935 49.841 -3.539 1.00 0.00 O ATOM 1050 CB GLU A 64 7.595 51.142 -1.125 1.00 0.00 C ATOM 1051 CG GLU A 64 8.748 52.116 -1.550 1.00 0.00 C ATOM 1052 CD GLU A 64 8.246 53.522 -1.881 1.00 0.00 C ATOM 1053 OE1 GLU A 64 7.680 53.688 -2.976 1.00 0.00 O ATOM 1054 OE2 GLU A 64 8.455 54.445 -1.044 1.00 0.00 O ATOM 0 H GLU A 64 8.919 50.474 0.610 1.00 0.00 H new ATOM 0 HA GLU A 64 7.327 48.832 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.767 51.254 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.226 51.444 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.481 52.177 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.262 51.705 -2.419 1.00 0.00 H new ATOM 1061 N LYS A 65 8.799 48.019 -2.663 1.00 0.00 N ATOM 1062 CA LYS A 65 9.409 47.449 -3.879 1.00 0.00 C ATOM 1063 C LYS A 65 8.997 45.995 -4.019 1.00 0.00 C ATOM 1064 O LYS A 65 8.592 45.343 -3.048 1.00 0.00 O ATOM 1065 CB LYS A 65 10.970 47.506 -3.797 1.00 0.00 C ATOM 1066 CG LYS A 65 11.499 48.757 -4.506 1.00 0.00 C ATOM 1067 CD LYS A 65 12.932 49.161 -4.113 1.00 0.00 C ATOM 1068 CE LYS A 65 13.991 48.105 -4.470 1.00 0.00 C ATOM 1069 NZ LYS A 65 14.880 47.826 -3.316 1.00 0.00 N ATOM 0 H LYS A 65 8.743 47.345 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 65 9.068 48.032 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.285 47.511 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.397 46.614 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.465 48.590 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.829 49.590 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.185 50.098 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.966 49.349 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.499 47.185 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.585 48.453 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.585 47.110 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.366 48.701 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.314 47.471 -2.519 1.00 0.00 H new ATOM 1083 N THR A 66 9.292 45.423 -5.176 1.00 0.00 N ATOM 1084 CA THR A 66 8.790 44.108 -5.550 1.00 0.00 C ATOM 1085 C THR A 66 10.014 43.204 -5.421 1.00 0.00 C ATOM 1086 O THR A 66 11.147 43.642 -5.197 1.00 0.00 O ATOM 1087 CB THR A 66 8.332 44.050 -7.044 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.390 44.328 -7.931 1.00 0.00 O ATOM 1089 CG2 THR A 66 7.215 45.027 -7.404 1.00 0.00 C ATOM 0 H THR A 66 9.886 45.856 -5.883 1.00 0.00 H new ATOM 0 HA THR A 66 7.934 43.833 -4.934 1.00 0.00 H new ATOM 0 HB THR A 66 7.967 43.028 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.064 44.280 -8.854 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.962 44.917 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.336 44.815 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.549 46.047 -7.215 1.00 0.00 H new ATOM 1097 N ILE A 67 9.812 41.901 -5.474 1.00 0.00 N ATOM 1098 CA ILE A 67 10.792 40.907 -5.032 1.00 0.00 C ATOM 1099 C ILE A 67 10.460 39.667 -5.834 1.00 0.00 C ATOM 1100 O ILE A 67 9.294 39.371 -6.096 1.00 0.00 O ATOM 1101 CB ILE A 67 10.731 40.501 -3.512 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.487 40.870 -2.662 1.00 0.00 C ATOM 1103 CG2 ILE A 67 12.022 40.891 -2.788 1.00 0.00 C ATOM 1104 CD1 ILE A 67 9.458 42.288 -2.080 1.00 0.00 C ATOM 0 H ILE A 67 8.950 41.489 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 67 11.785 41.333 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 67 10.615 39.420 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.599 40.735 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.413 40.160 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.954 40.599 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.867 40.382 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.166 41.969 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.541 42.427 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.319 42.431 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.492 43.015 -2.891 1.00 0.00 H new ATOM 1116 N HIS A 68 11.468 38.839 -6.048 1.00 0.00 N ATOM 1117 CA HIS A 68 11.425 37.774 -7.048 1.00 0.00 C ATOM 1118 C HIS A 68 12.187 36.632 -6.403 1.00 0.00 C ATOM 1119 O HIS A 68 13.316 36.774 -5.946 1.00 0.00 O ATOM 1120 CB HIS A 68 12.116 38.175 -8.377 1.00 0.00 C ATOM 1121 CG HIS A 68 11.891 37.169 -9.487 1.00 0.00 C ATOM 1122 ND1 HIS A 68 10.657 36.914 -10.074 1.00 0.00 N ATOM 1123 CD2 HIS A 68 12.836 36.383 -10.096 1.00 0.00 C ATOM 1124 CE1 HIS A 68 10.868 36.010 -11.033 1.00 0.00 C ATOM 1125 NE2 HIS A 68 12.171 35.658 -11.067 1.00 0.00 N ATOM 0 H HIS A 68 12.347 38.883 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 68 10.397 37.527 -7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.743 39.148 -8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.187 38.285 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.890 36.339 -9.863 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.105 35.616 -11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.591 34.976 -11.699 1.00 0.00 H new ATOM 1133 N LEU A 69 11.556 35.472 -6.400 1.00 0.00 N ATOM 1134 CA LEU A 69 11.893 34.328 -5.543 1.00 0.00 C ATOM 1135 C LEU A 69 11.512 33.090 -6.368 1.00 0.00 C ATOM 1136 O LEU A 69 10.903 33.187 -7.447 1.00 0.00 O ATOM 1137 CB LEU A 69 11.083 34.291 -4.183 1.00 0.00 C ATOM 1138 CG LEU A 69 10.719 35.605 -3.434 1.00 0.00 C ATOM 1139 CD1 LEU A 69 9.221 35.916 -3.524 1.00 0.00 C ATOM 1140 CD2 LEU A 69 11.012 35.558 -1.933 1.00 0.00 C ATOM 0 H LEU A 69 10.764 35.284 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 69 12.945 34.382 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.148 33.767 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.653 33.674 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 69 11.336 36.357 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.009 36.841 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.935 36.028 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.653 35.100 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.733 36.508 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.437 34.753 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.076 35.379 -1.775 1.00 0.00 H new ATOM 1152 N THR A 70 11.708 31.890 -5.841 1.00 0.00 N ATOM 1153 CA THR A 70 11.599 30.683 -6.668 1.00 0.00 C ATOM 1154 C THR A 70 10.694 29.771 -5.855 1.00 0.00 C ATOM 1155 O THR A 70 10.830 29.557 -4.658 1.00 0.00 O ATOM 1156 CB THR A 70 12.955 29.945 -6.938 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.639 29.563 -5.769 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.987 30.703 -7.776 1.00 0.00 C ATOM 0 H THR A 70 11.940 31.720 -4.862 1.00 0.00 H new ATOM 0 HA THR A 70 11.231 30.948 -7.659 1.00 0.00 H new ATOM 0 HB THR A 70 12.590 29.086 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.054 29.688 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.881 30.090 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.567 30.924 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.249 31.635 -7.275 1.00 0.00 H new ATOM 1166 N LEU A 71 9.705 29.210 -6.533 1.00 0.00 N ATOM 1167 CA LEU A 71 8.616 28.459 -5.899 1.00 0.00 C ATOM 1168 C LEU A 71 8.179 27.459 -6.963 1.00 0.00 C ATOM 1169 O LEU A 71 8.353 27.674 -8.159 1.00 0.00 O ATOM 1170 CB LEU A 71 7.433 29.376 -5.413 1.00 0.00 C ATOM 1171 CG LEU A 71 5.987 28.812 -5.359 1.00 0.00 C ATOM 1172 CD1 LEU A 71 5.189 29.379 -4.185 1.00 0.00 C ATOM 1173 CD2 LEU A 71 5.206 29.110 -6.636 1.00 0.00 C ATOM 0 H LEU A 71 9.629 29.260 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 71 8.946 27.970 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.683 29.724 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.415 30.253 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 71 6.106 27.735 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.185 28.955 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.687 29.123 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.126 30.463 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.201 28.697 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.144 30.188 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.715 28.658 -7.487 1.00 0.00 H new ATOM 1185 N LYS A 72 7.631 26.345 -6.522 1.00 0.00 N ATOM 1186 CA LYS A 72 7.315 25.206 -7.371 1.00 0.00 C ATOM 1187 C LYS A 72 6.072 24.620 -6.743 1.00 0.00 C ATOM 1188 O LYS A 72 6.016 24.342 -5.550 1.00 0.00 O ATOM 1189 CB LYS A 72 8.463 24.148 -7.381 1.00 0.00 C ATOM 1190 CG LYS A 72 9.562 24.428 -8.426 1.00 0.00 C ATOM 1191 CD LYS A 72 9.146 23.997 -9.846 1.00 0.00 C ATOM 1192 CE LYS A 72 9.781 22.676 -10.286 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.121 22.907 -10.886 1.00 0.00 N ATOM 0 H LYS A 72 7.386 26.200 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 72 7.179 25.502 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.918 24.110 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.035 23.164 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.796 25.492 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.473 23.901 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.061 23.902 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.424 24.779 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.872 22.008 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.134 22.180 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.533 21.997 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.028 23.526 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.742 23.359 -10.185 1.00 0.00 H new ATOM 1207 N VAL A 73 5.112 24.263 -7.595 1.00 0.00 N ATOM 1208 CA VAL A 73 3.749 23.946 -7.159 1.00 0.00 C ATOM 1209 C VAL A 73 3.512 22.588 -7.787 1.00 0.00 C ATOM 1210 O VAL A 73 3.857 22.315 -8.934 1.00 0.00 O ATOM 1211 CB VAL A 73 2.597 24.925 -7.592 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.033 26.267 -8.195 1.00 0.00 C ATOM 1213 CG2 VAL A 73 1.515 24.354 -8.537 1.00 0.00 C ATOM 0 H VAL A 73 5.254 24.185 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 73 3.704 24.009 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 73 2.167 25.084 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.151 26.853 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.633 26.815 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.625 26.087 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.780 25.128 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.981 24.020 -9.464 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.019 23.511 -8.055 1.00 0.00 H new ATOM 1223 N VAL A 74 3.094 21.699 -6.892 1.00 0.00 N ATOM 1224 CA VAL A 74 2.909 20.269 -7.127 1.00 0.00 C ATOM 1225 C VAL A 74 1.654 19.832 -6.387 1.00 0.00 C ATOM 1226 O VAL A 74 1.418 20.292 -5.269 1.00 0.00 O ATOM 1227 CB VAL A 74 4.148 19.438 -6.715 1.00 0.00 C ATOM 1228 CG1 VAL A 74 5.311 19.645 -7.698 1.00 0.00 C ATOM 1229 CG2 VAL A 74 4.689 19.715 -5.311 1.00 0.00 C ATOM 0 H VAL A 74 2.863 21.968 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 74 2.790 20.088 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 74 3.776 18.414 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.166 19.048 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.003 19.336 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.590 20.698 -7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.556 19.081 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.982 20.762 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.915 19.499 -4.574 1.00 0.00 H new ATOM 1239 N LYS A 75 0.874 18.963 -7.038 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.381 18.361 -6.562 1.00 0.00 C ATOM 1241 C LYS A 75 -0.554 17.066 -7.365 1.00 0.00 C ATOM 1242 O LYS A 75 -0.459 17.092 -8.521 1.00 0.00 O ATOM 1243 CB LYS A 75 -1.534 19.346 -6.814 1.00 0.00 C ATOM 1244 CG LYS A 75 -2.920 18.661 -6.830 1.00 0.00 C ATOM 1245 CD LYS A 75 -4.103 19.623 -6.944 1.00 0.00 C ATOM 1246 CE LYS A 75 -4.406 20.070 -8.387 1.00 0.00 C ATOM 1247 NZ LYS A 75 -3.399 21.030 -8.891 1.00 0.00 N ATOM 0 H LYS A 75 1.117 18.638 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.371 18.144 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.523 20.115 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.373 19.850 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.956 17.961 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.032 18.075 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.990 19.144 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.902 20.505 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.433 19.197 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.395 20.528 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.855 21.703 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.982 21.548 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.651 20.515 -9.397 1.00 0.00 H new TER 1261 LYS A 75