USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot -63:sc= 0.54 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -1.15 X(o=-0.61,f=-1.1) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -143:sc= 0.00213 (180deg=-0.161) USER MOD Set 2.2: A 28 ASN : amide:sc= 0.00141 K(o=0.0035,f=-0.76) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0998 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.37) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -160:sc= -0.864 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 43 THR OG1 : rot -37:sc= 0.77 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -151:sc= 0.235 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 70 GLN : amide:sc= -1.95 K(o=-2,f=-2.6) USER MOD Single : A 77 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -3.41! C(o=-4.4!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.045 3.511 -0.723 1.00 72.41 N ATOM 2 CA GLY A 1 0.828 2.881 -1.770 1.00 23.22 C ATOM 3 C GLY A 1 2.183 3.536 -1.954 1.00 54.43 C ATOM 4 O GLY A 1 2.571 4.404 -1.171 1.00 63.34 O ATOM 0 H1 GLY A 1 -0.143 2.821 0.032 1.00 72.41 H new ATOM 0 H2 GLY A 1 0.573 4.317 -0.332 1.00 72.41 H new ATOM 0 H3 GLY A 1 -0.857 3.847 -1.118 1.00 72.41 H new ATOM 0 HA2 GLY A 1 0.967 1.827 -1.531 1.00 23.22 H new ATOM 0 HA3 GLY A 1 0.276 2.925 -2.709 1.00 23.22 H new ATOM 8 N ILE A 2 2.903 3.121 -2.990 1.00 61.34 N ATOM 9 CA ILE A 2 4.222 3.673 -3.274 1.00 53.31 C ATOM 10 C ILE A 2 4.131 4.835 -4.258 1.00 32.12 C ATOM 11 O ILE A 2 3.479 4.750 -5.299 1.00 64.41 O ATOM 12 CB ILE A 2 5.169 2.603 -3.847 1.00 63.11 C ATOM 13 CG1 ILE A 2 4.990 1.279 -3.101 1.00 10.55 C ATOM 14 CG2 ILE A 2 6.613 3.074 -3.762 1.00 64.11 C ATOM 15 CD1 ILE A 2 4.005 0.341 -3.762 1.00 63.02 C ATOM 0 H ILE A 2 2.595 2.404 -3.647 1.00 61.34 H new ATOM 0 HA ILE A 2 4.624 4.032 -2.327 1.00 53.31 H new ATOM 0 HB ILE A 2 4.920 2.443 -4.896 1.00 63.11 H new ATOM 0 HG12 ILE A 2 5.957 0.782 -3.023 1.00 10.55 H new ATOM 0 HG13 ILE A 2 4.656 1.486 -2.085 1.00 10.55 H new ATOM 0 HG21 ILE A 2 7.271 2.307 -4.171 1.00 64.11 H new ATOM 0 HG22 ILE A 2 6.730 3.995 -4.334 1.00 64.11 H new ATOM 0 HG23 ILE A 2 6.875 3.259 -2.720 1.00 64.11 H new ATOM 0 HD11 ILE A 2 3.929 -0.577 -3.179 1.00 63.02 H new ATOM 0 HD12 ILE A 2 3.027 0.819 -3.816 1.00 63.02 H new ATOM 0 HD13 ILE A 2 4.348 0.103 -4.769 1.00 63.02 H new ATOM 27 N PRO A 3 4.801 5.948 -3.923 1.00 71.40 N ATOM 28 CA PRO A 3 4.814 7.148 -4.765 1.00 35.41 C ATOM 29 C PRO A 3 5.602 6.943 -6.054 1.00 51.10 C ATOM 30 O PRO A 3 5.791 7.878 -6.833 1.00 43.20 O ATOM 31 CB PRO A 3 5.497 8.194 -3.881 1.00 35.03 C ATOM 32 CG PRO A 3 6.342 7.404 -2.942 1.00 75.43 C ATOM 33 CD PRO A 3 5.598 6.120 -2.697 1.00 63.41 C ATOM 0 HA PRO A 3 3.812 7.431 -5.087 1.00 35.41 H new ATOM 0 HB2 PRO A 3 6.101 8.880 -4.475 1.00 35.03 H new ATOM 0 HB3 PRO A 3 4.765 8.797 -3.343 1.00 35.03 H new ATOM 0 HG2 PRO A 3 7.325 7.210 -3.371 1.00 75.43 H new ATOM 0 HG3 PRO A 3 6.502 7.946 -2.010 1.00 75.43 H new ATOM 0 HD2 PRO A 3 6.280 5.284 -2.540 1.00 63.41 H new ATOM 0 HD3 PRO A 3 4.965 6.185 -1.812 1.00 63.41 H new ATOM 41 N LEU A 4 6.059 5.715 -6.274 1.00 1.32 N ATOM 42 CA LEU A 4 6.827 5.388 -7.470 1.00 62.30 C ATOM 43 C LEU A 4 8.135 6.171 -7.509 1.00 4.13 C ATOM 44 O LEU A 4 8.779 6.274 -8.553 1.00 75.42 O ATOM 45 CB LEU A 4 6.005 5.684 -8.725 1.00 53.22 C ATOM 46 CG LEU A 4 5.235 4.503 -9.318 1.00 45.11 C ATOM 47 CD1 LEU A 4 3.988 4.987 -10.041 1.00 1.31 C ATOM 48 CD2 LEU A 4 6.125 3.707 -10.261 1.00 63.43 C ATOM 0 H LEU A 4 5.911 4.930 -5.640 1.00 1.32 H new ATOM 0 HA LEU A 4 7.063 4.324 -7.440 1.00 62.30 H new ATOM 0 HB2 LEU A 4 5.293 6.475 -8.490 1.00 53.22 H new ATOM 0 HB3 LEU A 4 6.675 6.076 -9.490 1.00 53.22 H new ATOM 0 HG LEU A 4 4.926 3.849 -8.503 1.00 45.11 H new ATOM 0 HD11 LEU A 4 3.453 4.133 -10.456 1.00 1.31 H new ATOM 0 HD12 LEU A 4 3.341 5.513 -9.339 1.00 1.31 H new ATOM 0 HD13 LEU A 4 4.274 5.663 -10.847 1.00 1.31 H new ATOM 0 HD21 LEU A 4 5.561 2.870 -10.674 1.00 63.43 H new ATOM 0 HD22 LEU A 4 6.464 4.352 -11.072 1.00 63.43 H new ATOM 0 HD23 LEU A 4 6.988 3.328 -9.714 1.00 63.43 H new ATOM 60 N SER A 5 8.524 6.721 -6.363 1.00 23.55 N ATOM 61 CA SER A 5 9.755 7.496 -6.266 1.00 3.15 C ATOM 62 C SER A 5 10.754 6.816 -5.334 1.00 31.12 C ATOM 63 O SER A 5 11.958 7.052 -5.419 1.00 23.43 O ATOM 64 CB SER A 5 9.454 8.910 -5.764 1.00 62.24 C ATOM 65 OG SER A 5 8.204 9.367 -6.250 1.00 11.44 O ATOM 0 H SER A 5 8.004 6.644 -5.489 1.00 23.55 H new ATOM 0 HA SER A 5 10.196 7.557 -7.261 1.00 3.15 H new ATOM 0 HB2 SER A 5 9.450 8.919 -4.674 1.00 62.24 H new ATOM 0 HB3 SER A 5 10.243 9.589 -6.085 1.00 62.24 H new ATOM 0 HG SER A 5 8.033 10.272 -5.914 1.00 11.44 H new ATOM 71 N ASN A 6 10.243 5.971 -4.445 1.00 31.44 N ATOM 72 CA ASN A 6 11.089 5.256 -3.496 1.00 32.23 C ATOM 73 C ASN A 6 11.906 4.177 -4.200 1.00 75.14 C ATOM 74 O ASN A 6 13.134 4.158 -4.113 1.00 34.54 O ATOM 75 CB ASN A 6 10.235 4.626 -2.393 1.00 50.21 C ATOM 76 CG ASN A 6 10.882 3.392 -1.795 1.00 34.30 C ATOM 77 OD1 ASN A 6 10.563 2.265 -2.174 1.00 73.22 O ATOM 78 ND2 ASN A 6 11.796 3.600 -0.854 1.00 74.33 N ATOM 0 H ASN A 6 9.248 5.764 -4.362 1.00 31.44 H new ATOM 0 HA ASN A 6 11.777 5.974 -3.049 1.00 32.23 H new ATOM 0 HB2 ASN A 6 10.063 5.360 -1.606 1.00 50.21 H new ATOM 0 HB3 ASN A 6 9.259 4.360 -2.800 1.00 50.21 H new ATOM 0 HD21 ASN A 6 12.265 2.808 -0.414 1.00 74.33 H new ATOM 0 HD22 ASN A 6 12.029 4.552 -0.571 1.00 74.33 H new ATOM 85 N ILE A 7 11.215 3.282 -4.899 1.00 64.10 N ATOM 86 CA ILE A 7 11.877 2.201 -5.620 1.00 53.51 C ATOM 87 C ILE A 7 12.973 2.740 -6.533 1.00 0.11 C ATOM 88 O ILE A 7 14.077 2.199 -6.578 1.00 4.42 O ATOM 89 CB ILE A 7 10.874 1.391 -6.463 1.00 44.11 C ATOM 90 CG1 ILE A 7 9.937 0.594 -5.554 1.00 30.02 C ATOM 91 CG2 ILE A 7 11.613 0.463 -7.416 1.00 54.02 C ATOM 92 CD1 ILE A 7 8.579 0.332 -6.166 1.00 50.25 C ATOM 0 H ILE A 7 10.198 3.284 -4.981 1.00 64.10 H new ATOM 0 HA ILE A 7 12.322 1.546 -4.870 1.00 53.51 H new ATOM 0 HB ILE A 7 10.274 2.084 -7.053 1.00 44.11 H new ATOM 0 HG12 ILE A 7 10.406 -0.359 -5.309 1.00 30.02 H new ATOM 0 HG13 ILE A 7 9.806 1.135 -4.617 1.00 30.02 H new ATOM 0 HG21 ILE A 7 10.892 -0.103 -8.005 1.00 54.02 H new ATOM 0 HG22 ILE A 7 12.243 1.052 -8.082 1.00 54.02 H new ATOM 0 HG23 ILE A 7 12.235 -0.226 -6.844 1.00 54.02 H new ATOM 0 HD11 ILE A 7 7.968 -0.238 -5.466 1.00 50.25 H new ATOM 0 HD12 ILE A 7 8.090 1.281 -6.386 1.00 50.25 H new ATOM 0 HD13 ILE A 7 8.699 -0.237 -7.088 1.00 50.25 H new ATOM 104 N GLU A 8 12.660 3.810 -7.258 1.00 32.34 N ATOM 105 CA GLU A 8 13.620 4.422 -8.169 1.00 14.03 C ATOM 106 C GLU A 8 14.946 4.689 -7.463 1.00 21.40 C ATOM 107 O GLU A 8 15.975 4.116 -7.818 1.00 64.23 O ATOM 108 CB GLU A 8 13.058 5.729 -8.734 1.00 23.44 C ATOM 109 CG GLU A 8 12.000 5.524 -9.805 1.00 21.34 C ATOM 110 CD GLU A 8 11.972 6.650 -10.820 1.00 21.40 C ATOM 111 OE1 GLU A 8 12.498 7.740 -10.513 1.00 21.43 O ATOM 112 OE2 GLU A 8 11.424 6.440 -11.922 1.00 70.14 O ATOM 0 H GLU A 8 11.750 4.270 -7.232 1.00 32.34 H new ATOM 0 HA GLU A 8 13.799 3.727 -8.989 1.00 14.03 H new ATOM 0 HB2 GLU A 8 12.630 6.313 -7.919 1.00 23.44 H new ATOM 0 HB3 GLU A 8 13.876 6.316 -9.151 1.00 23.44 H new ATOM 0 HG2 GLU A 8 12.187 4.581 -10.319 1.00 21.34 H new ATOM 0 HG3 GLU A 8 11.021 5.441 -9.332 1.00 21.34 H new ATOM 119 N GLU A 9 14.912 5.563 -6.462 1.00 31.31 N ATOM 120 CA GLU A 9 16.111 5.906 -5.707 1.00 45.24 C ATOM 121 C GLU A 9 16.751 4.659 -5.104 1.00 73.22 C ATOM 122 O GLU A 9 17.975 4.545 -5.039 1.00 51.40 O ATOM 123 CB GLU A 9 15.775 6.907 -4.600 1.00 21.23 C ATOM 124 CG GLU A 9 16.919 7.147 -3.629 1.00 12.23 C ATOM 125 CD GLU A 9 16.739 8.416 -2.818 1.00 42.24 C ATOM 126 OE1 GLU A 9 16.865 9.514 -3.401 1.00 32.13 O ATOM 127 OE2 GLU A 9 16.473 8.312 -1.603 1.00 25.12 O ATOM 0 H GLU A 9 14.068 6.046 -6.155 1.00 31.31 H new ATOM 0 HA GLU A 9 16.823 6.362 -6.395 1.00 45.24 H new ATOM 0 HB2 GLU A 9 15.490 7.856 -5.054 1.00 21.23 H new ATOM 0 HB3 GLU A 9 14.909 6.546 -4.046 1.00 21.23 H new ATOM 0 HG2 GLU A 9 17.001 6.296 -2.952 1.00 12.23 H new ATOM 0 HG3 GLU A 9 17.856 7.204 -4.184 1.00 12.23 H new ATOM 134 N ARG A 10 15.913 3.726 -4.664 1.00 31.30 N ATOM 135 CA ARG A 10 16.395 2.487 -4.064 1.00 41.43 C ATOM 136 C ARG A 10 17.258 1.706 -5.051 1.00 32.42 C ATOM 137 O ARG A 10 18.463 1.553 -4.852 1.00 42.14 O ATOM 138 CB ARG A 10 15.217 1.625 -3.606 1.00 5.53 C ATOM 139 CG ARG A 10 15.581 0.626 -2.520 1.00 71.42 C ATOM 140 CD ARG A 10 16.059 1.324 -1.257 1.00 11.12 C ATOM 141 NE ARG A 10 15.215 2.464 -0.909 1.00 34.23 N ATOM 142 CZ ARG A 10 15.606 3.452 -0.112 1.00 11.11 C ATOM 143 NH1 ARG A 10 16.822 3.440 0.416 1.00 41.40 N ATOM 144 NH2 ARG A 10 14.780 4.455 0.158 1.00 41.02 N ATOM 0 H ARG A 10 14.897 3.804 -4.712 1.00 31.30 H new ATOM 0 HA ARG A 10 17.005 2.745 -3.198 1.00 41.43 H new ATOM 0 HB2 ARG A 10 14.423 2.275 -3.239 1.00 5.53 H new ATOM 0 HB3 ARG A 10 14.816 1.086 -4.465 1.00 5.53 H new ATOM 0 HG2 ARG A 10 14.714 0.007 -2.289 1.00 71.42 H new ATOM 0 HG3 ARG A 10 16.361 -0.042 -2.885 1.00 71.42 H new ATOM 0 HD2 ARG A 10 16.067 0.613 -0.431 1.00 11.12 H new ATOM 0 HD3 ARG A 10 17.086 1.662 -1.396 1.00 11.12 H new ATOM 0 HE ARG A 10 14.274 2.504 -1.299 1.00 34.23 H new ATOM 0 HH11 ARG A 10 17.460 2.671 0.210 1.00 41.40 H new ATOM 0 HH12 ARG A 10 17.120 4.200 1.028 1.00 41.40 H new ATOM 0 HH21 ARG A 10 13.844 4.468 -0.247 1.00 41.02 H new ATOM 0 HH22 ARG A 10 15.081 5.213 0.770 1.00 41.02 H new ATOM 158 N VAL A 11 16.632 1.212 -6.114 1.00 73.43 N ATOM 159 CA VAL A 11 17.342 0.446 -7.132 1.00 55.11 C ATOM 160 C VAL A 11 18.609 1.166 -7.577 1.00 43.51 C ATOM 161 O VAL A 11 19.706 0.609 -7.523 1.00 34.24 O ATOM 162 CB VAL A 11 16.452 0.188 -8.363 1.00 11.34 C ATOM 163 CG1 VAL A 11 17.165 -0.714 -9.358 1.00 44.21 C ATOM 164 CG2 VAL A 11 15.122 -0.417 -7.940 1.00 74.04 C ATOM 0 H VAL A 11 15.635 1.328 -6.293 1.00 73.43 H new ATOM 0 HA VAL A 11 17.610 -0.509 -6.680 1.00 55.11 H new ATOM 0 HB VAL A 11 16.253 1.141 -8.852 1.00 11.34 H new ATOM 0 HG11 VAL A 11 16.521 -0.885 -10.221 1.00 44.21 H new ATOM 0 HG12 VAL A 11 18.089 -0.237 -9.684 1.00 44.21 H new ATOM 0 HG13 VAL A 11 17.397 -1.668 -8.884 1.00 44.21 H new ATOM 0 HG21 VAL A 11 14.506 -0.593 -8.822 1.00 74.04 H new ATOM 0 HG22 VAL A 11 15.299 -1.362 -7.427 1.00 74.04 H new ATOM 0 HG23 VAL A 11 14.607 0.270 -7.268 1.00 74.04 H new ATOM 174 N LYS A 12 18.453 2.410 -8.018 1.00 13.24 N ATOM 175 CA LYS A 12 19.584 3.210 -8.471 1.00 43.01 C ATOM 176 C LYS A 12 20.706 3.201 -7.438 1.00 22.44 C ATOM 177 O LYS A 12 21.885 3.134 -7.786 1.00 61.31 O ATOM 178 CB LYS A 12 19.141 4.649 -8.745 1.00 61.11 C ATOM 179 CG LYS A 12 18.184 4.778 -9.918 1.00 24.22 C ATOM 180 CD LYS A 12 18.786 4.211 -11.193 1.00 33.01 C ATOM 181 CE LYS A 12 18.090 4.759 -12.429 1.00 54.41 C ATOM 182 NZ LYS A 12 16.610 4.622 -12.339 1.00 55.01 N ATOM 0 H LYS A 12 17.553 2.886 -8.071 1.00 13.24 H new ATOM 0 HA LYS A 12 19.960 2.770 -9.394 1.00 43.01 H new ATOM 0 HB2 LYS A 12 18.663 5.050 -7.851 1.00 61.11 H new ATOM 0 HB3 LYS A 12 20.022 5.261 -8.937 1.00 61.11 H new ATOM 0 HG2 LYS A 12 17.255 4.256 -9.690 1.00 24.22 H new ATOM 0 HG3 LYS A 12 17.931 5.827 -10.069 1.00 24.22 H new ATOM 0 HD2 LYS A 12 19.848 4.453 -11.234 1.00 33.01 H new ATOM 0 HD3 LYS A 12 18.707 3.124 -11.182 1.00 33.01 H new ATOM 0 HE2 LYS A 12 18.350 5.810 -12.556 1.00 54.41 H new ATOM 0 HE3 LYS A 12 18.450 4.232 -13.312 1.00 54.41 H new ATOM 0 HZ1 LYS A 12 16.225 4.392 -13.277 1.00 55.01 H new ATOM 0 HZ2 LYS A 12 16.372 3.861 -11.671 1.00 55.01 H new ATOM 0 HZ3 LYS A 12 16.198 5.517 -12.006 1.00 55.01 H new ATOM 196 N LYS A 13 20.332 3.267 -6.164 1.00 60.44 N ATOM 197 CA LYS A 13 21.306 3.263 -5.079 1.00 73.21 C ATOM 198 C LYS A 13 22.124 1.976 -5.087 1.00 20.43 C ATOM 199 O LYS A 13 23.354 2.011 -5.043 1.00 42.14 O ATOM 200 CB LYS A 13 20.599 3.422 -3.731 1.00 55.13 C ATOM 201 CG LYS A 13 21.544 3.713 -2.579 1.00 22.52 C ATOM 202 CD LYS A 13 20.791 4.175 -1.343 1.00 4.33 C ATOM 203 CE LYS A 13 20.164 3.005 -0.602 1.00 32.45 C ATOM 204 NZ LYS A 13 20.065 3.263 0.862 1.00 44.23 N ATOM 0 H LYS A 13 19.361 3.324 -5.858 1.00 60.44 H new ATOM 0 HA LYS A 13 21.983 4.104 -5.229 1.00 73.21 H new ATOM 0 HB2 LYS A 13 19.871 4.230 -3.805 1.00 55.13 H new ATOM 0 HB3 LYS A 13 20.043 2.510 -3.512 1.00 55.13 H new ATOM 0 HG2 LYS A 13 22.118 2.817 -2.343 1.00 22.52 H new ATOM 0 HG3 LYS A 13 22.259 4.480 -2.878 1.00 22.52 H new ATOM 0 HD2 LYS A 13 21.472 4.705 -0.678 1.00 4.33 H new ATOM 0 HD3 LYS A 13 20.014 4.882 -1.633 1.00 4.33 H new ATOM 0 HE2 LYS A 13 19.170 2.811 -1.004 1.00 32.45 H new ATOM 0 HE3 LYS A 13 20.758 2.107 -0.773 1.00 32.45 H new ATOM 0 HZ1 LYS A 13 19.632 2.442 1.331 1.00 44.23 H new ATOM 0 HZ2 LYS A 13 21.016 3.423 1.251 1.00 44.23 H new ATOM 0 HZ3 LYS A 13 19.477 4.105 1.027 1.00 44.23 H new ATOM 218 N ILE A 14 21.434 0.842 -5.143 1.00 70.44 N ATOM 219 CA ILE A 14 22.098 -0.456 -5.160 1.00 32.05 C ATOM 220 C ILE A 14 23.001 -0.596 -6.380 1.00 23.21 C ATOM 221 O ILE A 14 24.147 -1.033 -6.269 1.00 44.53 O ATOM 222 CB ILE A 14 21.078 -1.610 -5.154 1.00 60.14 C ATOM 223 CG1 ILE A 14 20.278 -1.607 -3.850 1.00 53.24 C ATOM 224 CG2 ILE A 14 21.786 -2.943 -5.344 1.00 60.33 C ATOM 225 CD1 ILE A 14 18.837 -1.182 -4.027 1.00 13.21 C ATOM 0 H ILE A 14 20.416 0.795 -5.177 1.00 70.44 H new ATOM 0 HA ILE A 14 22.703 -0.513 -4.255 1.00 32.05 H new ATOM 0 HB ILE A 14 20.385 -1.467 -5.983 1.00 60.14 H new ATOM 0 HG12 ILE A 14 20.303 -2.606 -3.415 1.00 53.24 H new ATOM 0 HG13 ILE A 14 20.761 -0.938 -3.138 1.00 53.24 H new ATOM 0 HG21 ILE A 14 21.052 -3.749 -5.338 1.00 60.33 H new ATOM 0 HG22 ILE A 14 22.315 -2.941 -6.297 1.00 60.33 H new ATOM 0 HG23 ILE A 14 22.499 -3.095 -4.534 1.00 60.33 H new ATOM 0 HD11 ILE A 14 18.330 -1.203 -3.062 1.00 13.21 H new ATOM 0 HD12 ILE A 14 18.803 -0.171 -4.433 1.00 13.21 H new ATOM 0 HD13 ILE A 14 18.338 -1.865 -4.714 1.00 13.21 H new ATOM 237 N ILE A 15 22.478 -0.222 -7.543 1.00 1.25 N ATOM 238 CA ILE A 15 23.239 -0.303 -8.783 1.00 74.14 C ATOM 239 C ILE A 15 24.497 0.556 -8.714 1.00 54.14 C ATOM 240 O ILE A 15 25.525 0.219 -9.302 1.00 14.20 O ATOM 241 CB ILE A 15 22.393 0.140 -9.992 1.00 2.41 C ATOM 242 CG1 ILE A 15 21.160 -0.753 -10.135 1.00 33.54 C ATOM 243 CG2 ILE A 15 23.228 0.107 -11.263 1.00 42.12 C ATOM 244 CD1 ILE A 15 20.046 -0.122 -10.940 1.00 14.24 C ATOM 0 H ILE A 15 21.531 0.140 -7.652 1.00 1.25 H new ATOM 0 HA ILE A 15 23.523 -1.348 -8.911 1.00 74.14 H new ATOM 0 HB ILE A 15 22.059 1.164 -9.826 1.00 2.41 H new ATOM 0 HG12 ILE A 15 21.453 -1.690 -10.608 1.00 33.54 H new ATOM 0 HG13 ILE A 15 20.784 -1.001 -9.142 1.00 33.54 H new ATOM 0 HG21 ILE A 15 22.617 0.422 -12.108 1.00 42.12 H new ATOM 0 HG22 ILE A 15 24.078 0.782 -11.158 1.00 42.12 H new ATOM 0 HG23 ILE A 15 23.589 -0.907 -11.435 1.00 42.12 H new ATOM 0 HD11 ILE A 15 19.204 -0.812 -11.000 1.00 14.24 H new ATOM 0 HD12 ILE A 15 19.725 0.801 -10.456 1.00 14.24 H new ATOM 0 HD13 ILE A 15 20.404 0.101 -11.945 1.00 14.24 H new ATOM 256 N VAL A 16 24.408 1.668 -7.991 1.00 25.32 N ATOM 257 CA VAL A 16 25.540 2.575 -7.842 1.00 23.32 C ATOM 258 C VAL A 16 26.468 2.116 -6.722 1.00 42.24 C ATOM 259 O VAL A 16 27.655 2.442 -6.714 1.00 53.15 O ATOM 260 CB VAL A 16 25.073 4.013 -7.549 1.00 75.33 C ATOM 261 CG1 VAL A 16 26.265 4.920 -7.289 1.00 24.23 C ATOM 262 CG2 VAL A 16 24.230 4.543 -8.700 1.00 24.01 C ATOM 0 H VAL A 16 23.564 1.962 -7.500 1.00 25.32 H new ATOM 0 HA VAL A 16 26.082 2.563 -8.788 1.00 23.32 H new ATOM 0 HB VAL A 16 24.455 4.000 -6.651 1.00 75.33 H new ATOM 0 HG11 VAL A 16 25.915 5.932 -7.084 1.00 24.23 H new ATOM 0 HG12 VAL A 16 26.824 4.549 -6.430 1.00 24.23 H new ATOM 0 HG13 VAL A 16 26.912 4.931 -8.166 1.00 24.23 H new ATOM 0 HG21 VAL A 16 23.908 5.560 -8.477 1.00 24.01 H new ATOM 0 HG22 VAL A 16 24.822 4.542 -9.615 1.00 24.01 H new ATOM 0 HG23 VAL A 16 23.355 3.907 -8.833 1.00 24.01 H new ATOM 272 N GLU A 17 25.919 1.358 -5.779 1.00 33.31 N ATOM 273 CA GLU A 17 26.698 0.855 -4.654 1.00 23.40 C ATOM 274 C GLU A 17 27.366 -0.472 -5.005 1.00 5.41 C ATOM 275 O GLU A 17 28.305 -0.901 -4.335 1.00 33.45 O ATOM 276 CB GLU A 17 25.805 0.679 -3.424 1.00 62.41 C ATOM 277 CG GLU A 17 25.411 1.990 -2.765 1.00 64.11 C ATOM 278 CD GLU A 17 26.541 2.599 -1.958 1.00 11.33 C ATOM 279 OE1 GLU A 17 26.935 1.993 -0.939 1.00 45.34 O ATOM 280 OE2 GLU A 17 27.030 3.682 -2.343 1.00 70.43 O ATOM 0 H GLU A 17 24.938 1.079 -5.771 1.00 33.31 H new ATOM 0 HA GLU A 17 27.475 1.585 -4.428 1.00 23.40 H new ATOM 0 HB2 GLU A 17 24.902 0.143 -3.715 1.00 62.41 H new ATOM 0 HB3 GLU A 17 26.324 0.057 -2.695 1.00 62.41 H new ATOM 0 HG2 GLU A 17 25.095 2.697 -3.532 1.00 64.11 H new ATOM 0 HG3 GLU A 17 24.554 1.822 -2.113 1.00 64.11 H new ATOM 287 N GLN A 18 26.875 -1.114 -6.060 1.00 21.25 N ATOM 288 CA GLN A 18 27.424 -2.392 -6.499 1.00 14.13 C ATOM 289 C GLN A 18 28.402 -2.197 -7.652 1.00 52.34 C ATOM 290 O GLN A 18 29.505 -2.745 -7.645 1.00 12.14 O ATOM 291 CB GLN A 18 26.297 -3.335 -6.924 1.00 21.43 C ATOM 292 CG GLN A 18 25.713 -4.142 -5.775 1.00 64.21 C ATOM 293 CD GLN A 18 25.657 -3.357 -4.480 1.00 4.05 C ATOM 294 OE1 GLN A 18 24.739 -2.567 -4.258 1.00 45.44 O ATOM 295 NE2 GLN A 18 26.642 -3.571 -3.614 1.00 53.03 N ATOM 0 H GLN A 18 26.099 -0.771 -6.626 1.00 21.25 H new ATOM 0 HA GLN A 18 27.963 -2.835 -5.661 1.00 14.13 H new ATOM 0 HB2 GLN A 18 25.502 -2.752 -7.388 1.00 21.43 H new ATOM 0 HB3 GLN A 18 26.675 -4.020 -7.683 1.00 21.43 H new ATOM 0 HG2 GLN A 18 24.708 -4.470 -6.040 1.00 64.21 H new ATOM 0 HG3 GLN A 18 26.312 -5.040 -5.625 1.00 64.21 H new ATOM 0 HE21 GLN A 18 27.383 -4.235 -3.838 1.00 53.03 H new ATOM 0 HE22 GLN A 18 26.657 -3.071 -2.725 1.00 53.03 H new ATOM 304 N LEU A 19 27.991 -1.413 -8.643 1.00 42.03 N ATOM 305 CA LEU A 19 28.831 -1.145 -9.805 1.00 64.24 C ATOM 306 C LEU A 19 29.738 0.056 -9.557 1.00 13.21 C ATOM 307 O LEU A 19 30.922 0.033 -9.890 1.00 31.34 O ATOM 308 CB LEU A 19 27.964 -0.897 -11.040 1.00 73.15 C ATOM 309 CG LEU A 19 27.130 -2.084 -11.524 1.00 52.04 C ATOM 310 CD1 LEU A 19 26.415 -1.740 -12.822 1.00 31.31 C ATOM 311 CD2 LEU A 19 28.008 -3.314 -11.706 1.00 54.44 C ATOM 0 H LEU A 19 27.081 -0.952 -8.665 1.00 42.03 H new ATOM 0 HA LEU A 19 29.457 -2.020 -9.978 1.00 64.24 H new ATOM 0 HB2 LEU A 19 27.289 -0.068 -10.825 1.00 73.15 H new ATOM 0 HB3 LEU A 19 28.612 -0.577 -11.856 1.00 73.15 H new ATOM 0 HG LEU A 19 26.378 -2.308 -10.767 1.00 52.04 H new ATOM 0 HD11 LEU A 19 25.827 -2.596 -13.151 1.00 31.31 H new ATOM 0 HD12 LEU A 19 25.755 -0.888 -12.659 1.00 31.31 H new ATOM 0 HD13 LEU A 19 27.150 -1.489 -13.587 1.00 31.31 H new ATOM 0 HD21 LEU A 19 27.398 -4.149 -12.051 1.00 54.44 H new ATOM 0 HD22 LEU A 19 28.783 -3.102 -12.443 1.00 54.44 H new ATOM 0 HD23 LEU A 19 28.473 -3.573 -10.755 1.00 54.44 H new ATOM 323 N GLY A 20 29.173 1.106 -8.967 1.00 74.44 N ATOM 324 CA GLY A 20 29.945 2.301 -8.682 1.00 74.02 C ATOM 325 C GLY A 20 29.623 3.439 -9.631 1.00 23.31 C ATOM 326 O GLY A 20 29.930 4.597 -9.349 1.00 45.13 O ATOM 0 H GLY A 20 28.195 1.150 -8.682 1.00 74.44 H new ATOM 0 HA2 GLY A 20 29.751 2.620 -7.658 1.00 74.02 H new ATOM 0 HA3 GLY A 20 31.008 2.067 -8.747 1.00 74.02 H new ATOM 330 N VAL A 21 29.004 3.109 -10.760 1.00 63.21 N ATOM 331 CA VAL A 21 28.642 4.112 -11.754 1.00 73.23 C ATOM 332 C VAL A 21 27.684 5.144 -11.170 1.00 34.42 C ATOM 333 O VAL A 21 27.406 5.139 -9.970 1.00 44.13 O ATOM 334 CB VAL A 21 27.991 3.466 -12.992 1.00 34.34 C ATOM 335 CG1 VAL A 21 28.905 2.404 -13.583 1.00 61.13 C ATOM 336 CG2 VAL A 21 26.636 2.874 -12.633 1.00 12.44 C ATOM 0 H VAL A 21 28.743 2.155 -11.009 1.00 63.21 H new ATOM 0 HA VAL A 21 29.565 4.607 -12.055 1.00 73.23 H new ATOM 0 HB VAL A 21 27.837 4.239 -13.745 1.00 34.34 H new ATOM 0 HG11 VAL A 21 28.428 1.959 -14.456 1.00 61.13 H new ATOM 0 HG12 VAL A 21 29.850 2.860 -13.878 1.00 61.13 H new ATOM 0 HG13 VAL A 21 29.093 1.630 -12.838 1.00 61.13 H new ATOM 0 HG21 VAL A 21 26.190 2.422 -13.519 1.00 12.44 H new ATOM 0 HG22 VAL A 21 26.764 2.113 -11.863 1.00 12.44 H new ATOM 0 HG23 VAL A 21 25.982 3.662 -12.260 1.00 12.44 H new ATOM 346 N ASP A 22 27.180 6.027 -12.025 1.00 64.42 N ATOM 347 CA ASP A 22 26.251 7.065 -11.594 1.00 61.44 C ATOM 348 C ASP A 22 24.810 6.660 -11.888 1.00 31.42 C ATOM 349 O ASP A 22 24.530 6.019 -12.900 1.00 54.03 O ATOM 350 CB ASP A 22 26.574 8.388 -12.290 1.00 14.23 C ATOM 351 CG ASP A 22 27.533 9.245 -11.487 1.00 62.13 C ATOM 352 OD1 ASP A 22 27.330 9.374 -10.262 1.00 40.12 O ATOM 353 OD2 ASP A 22 28.487 9.787 -12.085 1.00 31.13 O ATOM 0 H ASP A 22 27.399 6.045 -13.021 1.00 64.42 H new ATOM 0 HA ASP A 22 26.361 7.193 -10.517 1.00 61.44 H new ATOM 0 HB2 ASP A 22 27.007 8.184 -13.269 1.00 14.23 H new ATOM 0 HB3 ASP A 22 25.650 8.942 -12.459 1.00 14.23 H new ATOM 358 N GLU A 23 23.901 7.037 -10.994 1.00 52.03 N ATOM 359 CA GLU A 23 22.489 6.711 -11.157 1.00 70.25 C ATOM 360 C GLU A 23 21.875 7.509 -12.304 1.00 42.01 C ATOM 361 O GLU A 23 20.753 7.239 -12.731 1.00 42.05 O ATOM 362 CB GLU A 23 21.725 6.990 -9.861 1.00 62.43 C ATOM 363 CG GLU A 23 21.875 8.416 -9.361 1.00 44.41 C ATOM 364 CD GLU A 23 21.996 8.496 -7.852 1.00 33.14 C ATOM 365 OE1 GLU A 23 20.948 8.474 -7.172 1.00 3.13 O ATOM 366 OE2 GLU A 23 23.136 8.580 -7.350 1.00 42.04 O ATOM 0 H GLU A 23 24.117 7.568 -10.150 1.00 52.03 H new ATOM 0 HA GLU A 23 22.413 5.650 -11.394 1.00 70.25 H new ATOM 0 HB2 GLU A 23 20.667 6.779 -10.020 1.00 62.43 H new ATOM 0 HB3 GLU A 23 22.074 6.305 -9.089 1.00 62.43 H new ATOM 0 HG2 GLU A 23 22.757 8.866 -9.817 1.00 44.41 H new ATOM 0 HG3 GLU A 23 21.015 9.003 -9.684 1.00 44.41 H new ATOM 373 N ALA A 24 22.620 8.494 -12.797 1.00 35.51 N ATOM 374 CA ALA A 24 22.150 9.330 -13.894 1.00 42.32 C ATOM 375 C ALA A 24 22.466 8.694 -15.244 1.00 35.14 C ATOM 376 O ALA A 24 21.672 8.779 -16.180 1.00 43.44 O ATOM 377 CB ALA A 24 22.772 10.716 -13.804 1.00 55.32 C ATOM 0 H ALA A 24 23.551 8.732 -12.454 1.00 35.51 H new ATOM 0 HA ALA A 24 21.067 9.422 -13.810 1.00 42.32 H new ATOM 0 HB1 ALA A 24 22.413 11.330 -14.629 1.00 55.32 H new ATOM 0 HB2 ALA A 24 22.492 11.180 -12.858 1.00 55.32 H new ATOM 0 HB3 ALA A 24 23.857 10.632 -13.860 1.00 55.32 H new ATOM 383 N GLU A 25 23.629 8.057 -15.335 1.00 33.30 N ATOM 384 CA GLU A 25 24.048 7.407 -16.571 1.00 43.54 C ATOM 385 C GLU A 25 23.314 6.084 -16.768 1.00 12.35 C ATOM 386 O GLU A 25 22.978 5.708 -17.891 1.00 1.24 O ATOM 387 CB GLU A 25 25.559 7.168 -16.560 1.00 64.24 C ATOM 388 CG GLU A 25 26.046 6.408 -15.338 1.00 3.12 C ATOM 389 CD GLU A 25 27.519 6.056 -15.418 1.00 71.21 C ATOM 390 OE1 GLU A 25 27.864 5.117 -16.166 1.00 33.31 O ATOM 391 OE2 GLU A 25 28.326 6.718 -14.734 1.00 3.23 O ATOM 0 H GLU A 25 24.297 7.977 -14.568 1.00 33.30 H new ATOM 0 HA GLU A 25 23.797 8.067 -17.401 1.00 43.54 H new ATOM 0 HB2 GLU A 25 25.837 6.614 -17.457 1.00 64.24 H new ATOM 0 HB3 GLU A 25 26.071 8.129 -16.607 1.00 64.24 H new ATOM 0 HG2 GLU A 25 25.868 7.009 -14.446 1.00 3.12 H new ATOM 0 HG3 GLU A 25 25.463 5.493 -15.228 1.00 3.12 H new ATOM 398 N VAL A 26 23.068 5.382 -15.666 1.00 71.21 N ATOM 399 CA VAL A 26 22.373 4.101 -15.715 1.00 61.05 C ATOM 400 C VAL A 26 20.952 4.266 -16.243 1.00 44.41 C ATOM 401 O VAL A 26 20.239 5.193 -15.858 1.00 50.22 O ATOM 402 CB VAL A 26 22.319 3.438 -14.326 1.00 61.24 C ATOM 403 CG1 VAL A 26 21.424 4.234 -13.389 1.00 32.41 C ATOM 404 CG2 VAL A 26 21.839 1.999 -14.442 1.00 21.13 C ATOM 0 H VAL A 26 23.340 5.679 -14.729 1.00 71.21 H new ATOM 0 HA VAL A 26 22.937 3.461 -16.393 1.00 61.05 H new ATOM 0 HB VAL A 26 23.325 3.429 -13.907 1.00 61.24 H new ATOM 0 HG11 VAL A 26 21.398 3.750 -12.412 1.00 32.41 H new ATOM 0 HG12 VAL A 26 21.816 5.245 -13.283 1.00 32.41 H new ATOM 0 HG13 VAL A 26 20.415 4.278 -13.799 1.00 32.41 H new ATOM 0 HG21 VAL A 26 21.807 1.545 -13.451 1.00 21.13 H new ATOM 0 HG22 VAL A 26 20.842 1.982 -14.881 1.00 21.13 H new ATOM 0 HG23 VAL A 26 22.524 1.437 -15.076 1.00 21.13 H new ATOM 414 N LYS A 27 20.546 3.361 -17.127 1.00 2.22 N ATOM 415 CA LYS A 27 19.209 3.404 -17.707 1.00 44.15 C ATOM 416 C LYS A 27 18.309 2.345 -17.079 1.00 41.22 C ATOM 417 O LYS A 27 18.706 1.657 -16.140 1.00 4.52 O ATOM 418 CB LYS A 27 19.282 3.194 -19.222 1.00 12.13 C ATOM 419 CG LYS A 27 20.039 4.289 -19.952 1.00 40.52 C ATOM 420 CD LYS A 27 19.272 5.601 -19.940 1.00 72.02 C ATOM 421 CE LYS A 27 20.077 6.723 -20.577 1.00 53.44 C ATOM 422 NZ LYS A 27 19.527 8.064 -20.234 1.00 1.10 N ATOM 0 H LYS A 27 21.124 2.588 -17.458 1.00 2.22 H new ATOM 0 HA LYS A 27 18.782 4.386 -17.502 1.00 44.15 H new ATOM 0 HB2 LYS A 27 19.760 2.236 -19.425 1.00 12.13 H new ATOM 0 HB3 LYS A 27 18.270 3.136 -19.621 1.00 12.13 H new ATOM 0 HG2 LYS A 27 21.014 4.432 -19.485 1.00 40.52 H new ATOM 0 HG3 LYS A 27 20.221 3.982 -20.982 1.00 40.52 H new ATOM 0 HD2 LYS A 27 18.330 5.478 -20.475 1.00 72.02 H new ATOM 0 HD3 LYS A 27 19.022 5.868 -18.913 1.00 72.02 H new ATOM 0 HE2 LYS A 27 21.113 6.660 -20.245 1.00 53.44 H new ATOM 0 HE3 LYS A 27 20.081 6.598 -21.660 1.00 53.44 H new ATOM 0 HZ1 LYS A 27 20.103 8.802 -20.687 1.00 1.10 H new ATOM 0 HZ2 LYS A 27 18.546 8.134 -20.573 1.00 1.10 H new ATOM 0 HZ3 LYS A 27 19.547 8.194 -19.202 1.00 1.10 H new ATOM 436 N ASN A 28 17.095 2.219 -17.605 1.00 41.25 N ATOM 437 CA ASN A 28 16.139 1.243 -17.096 1.00 72.12 C ATOM 438 C ASN A 28 15.931 0.112 -18.098 1.00 75.43 C ATOM 439 O ASN A 28 15.891 -1.061 -17.726 1.00 1.51 O ATOM 440 CB ASN A 28 14.802 1.920 -16.789 1.00 54.12 C ATOM 441 CG ASN A 28 14.781 2.563 -15.416 1.00 32.22 C ATOM 442 OD1 ASN A 28 15.095 3.744 -15.266 1.00 72.31 O ATOM 443 ND2 ASN A 28 14.410 1.786 -14.405 1.00 32.13 N ATOM 0 H ASN A 28 16.750 2.781 -18.383 1.00 41.25 H new ATOM 0 HA ASN A 28 16.544 0.820 -16.177 1.00 72.12 H new ATOM 0 HB2 ASN A 28 14.600 2.678 -17.545 1.00 54.12 H new ATOM 0 HB3 ASN A 28 14.001 1.183 -16.854 1.00 54.12 H new ATOM 0 HD21 ASN A 28 14.377 2.163 -13.458 1.00 32.13 H new ATOM 0 HD22 ASN A 28 14.158 0.812 -14.576 1.00 32.13 H new ATOM 450 N GLU A 29 15.798 0.472 -19.371 1.00 4.40 N ATOM 451 CA GLU A 29 15.594 -0.513 -20.426 1.00 40.23 C ATOM 452 C GLU A 29 16.832 -1.388 -20.601 1.00 41.31 C ATOM 453 O GLU A 29 16.728 -2.573 -20.915 1.00 42.14 O ATOM 454 CB GLU A 29 15.258 0.184 -21.747 1.00 33.44 C ATOM 455 CG GLU A 29 16.424 0.953 -22.343 1.00 62.24 C ATOM 456 CD GLU A 29 15.977 2.044 -23.296 1.00 52.15 C ATOM 457 OE1 GLU A 29 15.635 3.146 -22.818 1.00 25.15 O ATOM 458 OE2 GLU A 29 15.968 1.797 -24.520 1.00 74.33 O ATOM 0 H GLU A 29 15.828 1.438 -19.696 1.00 4.40 H new ATOM 0 HA GLU A 29 14.758 -1.150 -20.136 1.00 40.23 H new ATOM 0 HB2 GLU A 29 14.920 -0.562 -22.466 1.00 33.44 H new ATOM 0 HB3 GLU A 29 14.426 0.870 -21.585 1.00 33.44 H new ATOM 0 HG2 GLU A 29 17.011 1.396 -21.539 1.00 62.24 H new ATOM 0 HG3 GLU A 29 17.079 0.260 -22.871 1.00 62.24 H new ATOM 465 N ALA A 30 18.003 -0.794 -20.396 1.00 10.54 N ATOM 466 CA ALA A 30 19.261 -1.518 -20.529 1.00 11.22 C ATOM 467 C ALA A 30 19.381 -2.609 -19.470 1.00 51.22 C ATOM 468 O ALA A 30 18.674 -2.590 -18.463 1.00 11.02 O ATOM 469 CB ALA A 30 20.436 -0.556 -20.434 1.00 22.11 C ATOM 0 H ALA A 30 18.107 0.187 -20.137 1.00 10.54 H new ATOM 0 HA ALA A 30 19.275 -1.996 -21.509 1.00 11.22 H new ATOM 0 HB1 ALA A 30 21.369 -1.110 -20.535 1.00 22.11 H new ATOM 0 HB2 ALA A 30 20.366 0.184 -21.231 1.00 22.11 H new ATOM 0 HB3 ALA A 30 20.416 -0.052 -19.468 1.00 22.11 H new ATOM 475 N SER A 31 20.280 -3.559 -19.706 1.00 31.13 N ATOM 476 CA SER A 31 20.489 -4.661 -18.774 1.00 61.31 C ATOM 477 C SER A 31 21.780 -4.468 -17.985 1.00 65.01 C ATOM 478 O SER A 31 22.488 -3.477 -18.164 1.00 3.42 O ATOM 479 CB SER A 31 20.533 -5.992 -19.527 1.00 73.23 C ATOM 480 OG SER A 31 19.654 -5.978 -20.639 1.00 42.02 O ATOM 0 H SER A 31 20.875 -3.588 -20.534 1.00 31.13 H new ATOM 0 HA SER A 31 19.654 -4.675 -18.073 1.00 61.31 H new ATOM 0 HB2 SER A 31 21.550 -6.188 -19.866 1.00 73.23 H new ATOM 0 HB3 SER A 31 20.259 -6.804 -18.853 1.00 73.23 H new ATOM 0 HG SER A 31 19.454 -6.898 -20.910 1.00 42.02 H new ATOM 486 N PHE A 32 22.081 -5.423 -17.111 1.00 51.01 N ATOM 487 CA PHE A 32 23.286 -5.359 -16.293 1.00 3.22 C ATOM 488 C PHE A 32 24.519 -5.733 -17.110 1.00 61.42 C ATOM 489 O PHE A 32 25.635 -5.317 -16.799 1.00 12.35 O ATOM 490 CB PHE A 32 23.159 -6.290 -15.085 1.00 53.24 C ATOM 491 CG PHE A 32 21.896 -6.083 -14.299 1.00 52.43 C ATOM 492 CD1 PHE A 32 21.358 -4.815 -14.149 1.00 54.45 C ATOM 493 CD2 PHE A 32 21.246 -7.156 -13.711 1.00 4.32 C ATOM 494 CE1 PHE A 32 20.196 -4.621 -13.426 1.00 21.10 C ATOM 495 CE2 PHE A 32 20.084 -6.968 -12.986 1.00 61.44 C ATOM 496 CZ PHE A 32 19.558 -5.699 -12.845 1.00 32.42 C ATOM 0 H PHE A 32 21.507 -6.251 -16.951 1.00 51.01 H new ATOM 0 HA PHE A 32 23.402 -4.334 -15.942 1.00 3.22 H new ATOM 0 HB2 PHE A 32 23.199 -7.324 -15.427 1.00 53.24 H new ATOM 0 HB3 PHE A 32 24.015 -6.138 -14.428 1.00 53.24 H new ATOM 0 HD1 PHE A 32 21.852 -3.968 -14.602 1.00 54.45 H new ATOM 0 HD2 PHE A 32 21.652 -8.151 -13.820 1.00 4.32 H new ATOM 0 HE1 PHE A 32 19.788 -3.627 -13.316 1.00 21.10 H new ATOM 0 HE2 PHE A 32 19.588 -7.812 -12.530 1.00 61.44 H new ATOM 0 HZ PHE A 32 18.649 -5.550 -12.281 1.00 32.42 H new ATOM 506 N VAL A 33 24.309 -6.524 -18.158 1.00 42.32 N ATOM 507 CA VAL A 33 25.402 -6.955 -19.022 1.00 21.04 C ATOM 508 C VAL A 33 25.094 -6.663 -20.486 1.00 34.52 C ATOM 509 O VAL A 33 25.972 -6.259 -21.247 1.00 42.33 O ATOM 510 CB VAL A 33 25.686 -8.460 -18.858 1.00 41.00 C ATOM 511 CG1 VAL A 33 26.305 -8.742 -17.497 1.00 51.04 C ATOM 512 CG2 VAL A 33 24.411 -9.266 -19.050 1.00 73.53 C ATOM 0 H VAL A 33 23.392 -6.879 -18.429 1.00 42.32 H new ATOM 0 HA VAL A 33 26.285 -6.391 -18.721 1.00 21.04 H new ATOM 0 HB VAL A 33 26.399 -8.763 -19.624 1.00 41.00 H new ATOM 0 HG11 VAL A 33 26.498 -9.810 -17.400 1.00 51.04 H new ATOM 0 HG12 VAL A 33 27.242 -8.193 -17.403 1.00 51.04 H new ATOM 0 HG13 VAL A 33 25.618 -8.425 -16.712 1.00 51.04 H new ATOM 0 HG21 VAL A 33 24.630 -10.327 -18.931 1.00 73.53 H new ATOM 0 HG22 VAL A 33 23.673 -8.962 -18.308 1.00 73.53 H new ATOM 0 HG23 VAL A 33 24.015 -9.087 -20.050 1.00 73.53 H new ATOM 522 N ASP A 34 23.840 -6.871 -20.873 1.00 60.32 N ATOM 523 CA ASP A 34 23.414 -6.629 -22.247 1.00 21.22 C ATOM 524 C ASP A 34 23.816 -5.230 -22.702 1.00 10.33 C ATOM 525 O ASP A 34 24.141 -5.015 -23.870 1.00 24.45 O ATOM 526 CB ASP A 34 21.900 -6.805 -22.372 1.00 51.42 C ATOM 527 CG ASP A 34 21.476 -7.194 -23.775 1.00 23.13 C ATOM 528 OD1 ASP A 34 21.776 -6.432 -24.718 1.00 20.44 O ATOM 529 OD2 ASP A 34 20.844 -8.260 -23.929 1.00 64.35 O ATOM 0 H ASP A 34 23.101 -7.206 -20.255 1.00 60.32 H new ATOM 0 HA ASP A 34 23.911 -7.356 -22.889 1.00 21.22 H new ATOM 0 HB2 ASP A 34 21.567 -7.569 -21.670 1.00 51.42 H new ATOM 0 HB3 ASP A 34 21.405 -5.876 -22.090 1.00 51.42 H new ATOM 534 N ASP A 35 23.790 -4.281 -21.772 1.00 52.13 N ATOM 535 CA ASP A 35 24.151 -2.901 -22.077 1.00 64.54 C ATOM 536 C ASP A 35 25.371 -2.468 -21.269 1.00 55.25 C ATOM 537 O ASP A 35 26.407 -2.111 -21.832 1.00 33.20 O ATOM 538 CB ASP A 35 22.975 -1.968 -21.789 1.00 53.25 C ATOM 539 CG ASP A 35 21.844 -2.137 -22.785 1.00 30.40 C ATOM 540 OD1 ASP A 35 21.231 -3.226 -22.808 1.00 2.43 O ATOM 541 OD2 ASP A 35 21.571 -1.182 -23.541 1.00 1.33 O ATOM 0 H ASP A 35 23.523 -4.442 -20.801 1.00 52.13 H new ATOM 0 HA ASP A 35 24.399 -2.842 -23.137 1.00 64.54 H new ATOM 0 HB2 ASP A 35 22.601 -2.159 -20.783 1.00 53.25 H new ATOM 0 HB3 ASP A 35 23.321 -0.935 -21.809 1.00 53.25 H new ATOM 546 N LEU A 36 25.240 -2.500 -19.948 1.00 13.31 N ATOM 547 CA LEU A 36 26.330 -2.109 -19.061 1.00 45.15 C ATOM 548 C LEU A 36 27.594 -2.905 -19.369 1.00 64.44 C ATOM 549 O LEU A 36 28.707 -2.444 -19.121 1.00 3.15 O ATOM 550 CB LEU A 36 25.926 -2.317 -17.601 1.00 2.51 C ATOM 551 CG LEU A 36 25.254 -1.127 -16.915 1.00 4.43 C ATOM 552 CD1 LEU A 36 24.119 -0.588 -17.771 1.00 35.32 C ATOM 553 CD2 LEU A 36 24.744 -1.524 -15.537 1.00 44.30 C ATOM 0 H LEU A 36 24.390 -2.793 -19.467 1.00 13.31 H new ATOM 0 HA LEU A 36 26.539 -1.052 -19.226 1.00 45.15 H new ATOM 0 HB2 LEU A 36 25.249 -3.170 -17.550 1.00 2.51 H new ATOM 0 HB3 LEU A 36 26.817 -2.583 -17.033 1.00 2.51 H new ATOM 0 HG LEU A 36 25.995 -0.337 -16.792 1.00 4.43 H new ATOM 0 HD11 LEU A 36 23.653 0.258 -17.266 1.00 35.32 H new ATOM 0 HD12 LEU A 36 24.512 -0.264 -18.735 1.00 35.32 H new ATOM 0 HD13 LEU A 36 23.377 -1.371 -17.926 1.00 35.32 H new ATOM 0 HD21 LEU A 36 24.269 -0.665 -15.063 1.00 44.30 H new ATOM 0 HD22 LEU A 36 24.018 -2.331 -15.636 1.00 44.30 H new ATOM 0 HD23 LEU A 36 25.579 -1.861 -14.923 1.00 44.30 H new ATOM 565 N GLY A 37 27.414 -4.105 -19.915 1.00 0.42 N ATOM 566 CA GLY A 37 28.548 -4.945 -20.250 1.00 25.31 C ATOM 567 C GLY A 37 29.254 -5.484 -19.021 1.00 71.12 C ATOM 568 O GLY A 37 30.427 -5.850 -19.081 1.00 43.14 O ATOM 0 H GLY A 37 26.503 -4.509 -20.131 1.00 0.42 H new ATOM 0 HA2 GLY A 37 28.209 -5.778 -20.865 1.00 25.31 H new ATOM 0 HA3 GLY A 37 29.256 -4.373 -20.850 1.00 25.31 H new ATOM 572 N ALA A 38 28.538 -5.532 -17.903 1.00 14.42 N ATOM 573 CA ALA A 38 29.102 -6.030 -16.655 1.00 1.34 C ATOM 574 C ALA A 38 29.323 -7.537 -16.715 1.00 33.40 C ATOM 575 O ALA A 38 29.210 -8.149 -17.778 1.00 15.15 O ATOM 576 CB ALA A 38 28.195 -5.673 -15.486 1.00 24.40 C ATOM 0 H ALA A 38 27.565 -5.232 -17.836 1.00 14.42 H new ATOM 0 HA ALA A 38 30.071 -5.553 -16.507 1.00 1.34 H new ATOM 0 HB1 ALA A 38 28.629 -6.051 -14.560 1.00 24.40 H new ATOM 0 HB2 ALA A 38 28.092 -4.590 -15.423 1.00 24.40 H new ATOM 0 HB3 ALA A 38 27.213 -6.122 -15.637 1.00 24.40 H new ATOM 582 N ASP A 39 29.639 -8.131 -15.569 1.00 54.41 N ATOM 583 CA ASP A 39 29.875 -9.568 -15.492 1.00 11.53 C ATOM 584 C ASP A 39 28.796 -10.251 -14.658 1.00 22.54 C ATOM 585 O ASP A 39 27.988 -9.589 -14.006 1.00 63.53 O ATOM 586 CB ASP A 39 31.254 -9.848 -14.893 1.00 42.40 C ATOM 587 CG ASP A 39 32.320 -8.914 -15.432 1.00 51.23 C ATOM 588 OD1 ASP A 39 32.315 -8.650 -16.653 1.00 45.11 O ATOM 589 OD2 ASP A 39 33.158 -8.446 -14.633 1.00 72.34 O ATOM 0 H ASP A 39 29.738 -7.639 -14.681 1.00 54.41 H new ATOM 0 HA ASP A 39 29.838 -9.973 -16.503 1.00 11.53 H new ATOM 0 HB2 ASP A 39 31.203 -9.749 -13.809 1.00 42.40 H new ATOM 0 HB3 ASP A 39 31.537 -10.879 -15.106 1.00 42.40 H new ATOM 594 N SER A 40 28.789 -11.580 -14.683 1.00 61.45 N ATOM 595 CA SER A 40 27.807 -12.354 -13.934 1.00 34.33 C ATOM 596 C SER A 40 27.790 -11.936 -12.467 1.00 10.43 C ATOM 597 O SER A 40 26.744 -11.950 -11.816 1.00 70.24 O ATOM 598 CB SER A 40 28.111 -13.849 -14.046 1.00 33.54 C ATOM 599 OG SER A 40 28.669 -14.163 -15.310 1.00 24.04 O ATOM 0 H SER A 40 29.453 -12.143 -15.214 1.00 61.45 H new ATOM 0 HA SER A 40 26.824 -12.157 -14.362 1.00 34.33 H new ATOM 0 HB2 SER A 40 28.803 -14.143 -13.257 1.00 33.54 H new ATOM 0 HB3 SER A 40 27.196 -14.422 -13.897 1.00 33.54 H new ATOM 0 HG SER A 40 28.856 -15.124 -15.356 1.00 24.04 H new ATOM 605 N LEU A 41 28.956 -11.563 -11.951 1.00 42.45 N ATOM 606 CA LEU A 41 29.078 -11.139 -10.561 1.00 32.12 C ATOM 607 C LEU A 41 28.188 -9.933 -10.279 1.00 41.41 C ATOM 608 O LEU A 41 27.561 -9.844 -9.223 1.00 60.13 O ATOM 609 CB LEU A 41 30.534 -10.800 -10.236 1.00 33.43 C ATOM 610 CG LEU A 41 30.979 -11.065 -8.797 1.00 63.42 C ATOM 611 CD1 LEU A 41 30.836 -12.541 -8.457 1.00 51.31 C ATOM 612 CD2 LEU A 41 32.415 -10.606 -8.590 1.00 41.34 C ATOM 0 H LEU A 41 29.831 -11.546 -12.475 1.00 42.45 H new ATOM 0 HA LEU A 41 28.753 -11.963 -9.926 1.00 32.12 H new ATOM 0 HB2 LEU A 41 31.177 -11.371 -10.905 1.00 33.43 H new ATOM 0 HB3 LEU A 41 30.699 -9.746 -10.458 1.00 33.43 H new ATOM 0 HG LEU A 41 30.335 -10.495 -8.127 1.00 63.42 H new ATOM 0 HD11 LEU A 41 31.157 -12.710 -7.429 1.00 51.31 H new ATOM 0 HD12 LEU A 41 29.793 -12.840 -8.565 1.00 51.31 H new ATOM 0 HD13 LEU A 41 31.455 -13.132 -9.133 1.00 51.31 H new ATOM 0 HD21 LEU A 41 32.715 -10.802 -7.561 1.00 41.34 H new ATOM 0 HD22 LEU A 41 33.072 -11.149 -9.269 1.00 41.34 H new ATOM 0 HD23 LEU A 41 32.488 -9.537 -8.792 1.00 41.34 H new ATOM 624 N ASP A 42 28.137 -9.007 -11.231 1.00 34.22 N ATOM 625 CA ASP A 42 27.321 -7.807 -11.087 1.00 33.02 C ATOM 626 C ASP A 42 25.847 -8.168 -10.926 1.00 2.32 C ATOM 627 O ASP A 42 25.207 -7.789 -9.944 1.00 43.21 O ATOM 628 CB ASP A 42 27.505 -6.891 -12.298 1.00 31.12 C ATOM 629 CG ASP A 42 26.398 -5.862 -12.419 1.00 5.22 C ATOM 630 OD1 ASP A 42 25.897 -5.403 -11.371 1.00 31.23 O ATOM 631 OD2 ASP A 42 26.035 -5.514 -13.561 1.00 74.04 O ATOM 0 H ASP A 42 28.651 -9.065 -12.110 1.00 34.22 H new ATOM 0 HA ASP A 42 27.648 -7.281 -10.190 1.00 33.02 H new ATOM 0 HB2 ASP A 42 28.465 -6.380 -12.221 1.00 31.12 H new ATOM 0 HB3 ASP A 42 27.537 -7.495 -13.205 1.00 31.12 H new ATOM 636 N THR A 43 25.313 -8.902 -11.897 1.00 2.10 N ATOM 637 CA THR A 43 23.915 -9.312 -11.864 1.00 40.15 C ATOM 638 C THR A 43 23.565 -9.966 -10.533 1.00 32.30 C ATOM 639 O THR A 43 22.612 -9.566 -9.864 1.00 51.44 O ATOM 640 CB THR A 43 23.591 -10.293 -13.007 1.00 14.02 C ATOM 641 OG1 THR A 43 24.456 -11.432 -12.935 1.00 51.32 O ATOM 642 CG2 THR A 43 23.745 -9.617 -14.361 1.00 14.12 C ATOM 0 H THR A 43 25.828 -9.225 -12.716 1.00 2.10 H new ATOM 0 HA THR A 43 23.317 -8.409 -11.989 1.00 40.15 H new ATOM 0 HB THR A 43 22.556 -10.616 -12.896 1.00 14.02 H new ATOM 0 HG1 THR A 43 25.348 -11.147 -12.646 1.00 51.32 H new ATOM 0 HG21 THR A 43 23.511 -10.329 -15.152 1.00 14.12 H new ATOM 0 HG22 THR A 43 23.064 -8.768 -14.424 1.00 14.12 H new ATOM 0 HG23 THR A 43 24.771 -9.268 -14.479 1.00 14.12 H new ATOM 650 N VAL A 44 24.342 -10.976 -10.152 1.00 53.43 N ATOM 651 CA VAL A 44 24.114 -11.685 -8.899 1.00 4.31 C ATOM 652 C VAL A 44 24.104 -10.722 -7.717 1.00 22.02 C ATOM 653 O VAL A 44 23.315 -10.876 -6.785 1.00 62.43 O ATOM 654 CB VAL A 44 25.189 -12.762 -8.660 1.00 43.24 C ATOM 655 CG1 VAL A 44 24.895 -13.537 -7.385 1.00 42.21 C ATOM 656 CG2 VAL A 44 25.278 -13.699 -9.855 1.00 71.13 C ATOM 0 H VAL A 44 25.135 -11.321 -10.694 1.00 53.43 H new ATOM 0 HA VAL A 44 23.139 -12.166 -8.980 1.00 4.31 H new ATOM 0 HB VAL A 44 26.153 -12.268 -8.541 1.00 43.24 H new ATOM 0 HG11 VAL A 44 25.665 -14.293 -7.233 1.00 42.21 H new ATOM 0 HG12 VAL A 44 24.886 -12.852 -6.537 1.00 42.21 H new ATOM 0 HG13 VAL A 44 23.922 -14.022 -7.470 1.00 42.21 H new ATOM 0 HG21 VAL A 44 26.042 -14.454 -9.669 1.00 71.13 H new ATOM 0 HG22 VAL A 44 24.315 -14.187 -10.007 1.00 71.13 H new ATOM 0 HG23 VAL A 44 25.540 -13.128 -10.746 1.00 71.13 H new ATOM 666 N GLU A 45 24.986 -9.728 -7.762 1.00 71.15 N ATOM 667 CA GLU A 45 25.078 -8.740 -6.694 1.00 40.11 C ATOM 668 C GLU A 45 23.765 -7.978 -6.543 1.00 53.33 C ATOM 669 O GLU A 45 23.266 -7.791 -5.433 1.00 32.34 O ATOM 670 CB GLU A 45 26.220 -7.760 -6.972 1.00 71.25 C ATOM 671 CG GLU A 45 27.251 -7.695 -5.859 1.00 23.34 C ATOM 672 CD GLU A 45 26.620 -7.572 -4.485 1.00 40.14 C ATOM 673 OE1 GLU A 45 25.585 -6.882 -4.369 1.00 24.23 O ATOM 674 OE2 GLU A 45 27.160 -8.164 -3.528 1.00 61.31 O ATOM 0 H GLU A 45 25.646 -9.586 -8.526 1.00 71.15 H new ATOM 0 HA GLU A 45 25.281 -9.268 -5.762 1.00 40.11 H new ATOM 0 HB2 GLU A 45 26.716 -8.047 -7.899 1.00 71.25 H new ATOM 0 HB3 GLU A 45 25.804 -6.765 -7.128 1.00 71.25 H new ATOM 0 HG2 GLU A 45 27.871 -8.591 -5.891 1.00 23.34 H new ATOM 0 HG3 GLU A 45 27.911 -6.844 -6.029 1.00 23.34 H new ATOM 681 N LEU A 46 23.210 -7.539 -7.668 1.00 10.34 N ATOM 682 CA LEU A 46 21.954 -6.796 -7.662 1.00 45.31 C ATOM 683 C LEU A 46 20.803 -7.676 -7.185 1.00 43.54 C ATOM 684 O LEU A 46 20.013 -7.273 -6.331 1.00 61.43 O ATOM 685 CB LEU A 46 21.653 -6.255 -9.061 1.00 31.01 C ATOM 686 CG LEU A 46 22.781 -5.474 -9.736 1.00 53.30 C ATOM 687 CD1 LEU A 46 22.303 -4.874 -11.049 1.00 72.24 C ATOM 688 CD2 LEU A 46 23.304 -4.385 -8.810 1.00 61.41 C ATOM 0 H LEU A 46 23.610 -7.685 -8.595 1.00 10.34 H new ATOM 0 HA LEU A 46 22.057 -5.960 -6.970 1.00 45.31 H new ATOM 0 HB2 LEU A 46 21.384 -7.094 -9.703 1.00 31.01 H new ATOM 0 HB3 LEU A 46 20.778 -5.609 -8.998 1.00 31.01 H new ATOM 0 HG LEU A 46 23.597 -6.164 -9.951 1.00 53.30 H new ATOM 0 HD11 LEU A 46 23.119 -4.322 -11.515 1.00 72.24 H new ATOM 0 HD12 LEU A 46 21.977 -5.672 -11.716 1.00 72.24 H new ATOM 0 HD13 LEU A 46 21.470 -4.198 -10.858 1.00 72.24 H new ATOM 0 HD21 LEU A 46 24.106 -3.839 -9.307 1.00 61.41 H new ATOM 0 HD22 LEU A 46 22.495 -3.697 -8.564 1.00 61.41 H new ATOM 0 HD23 LEU A 46 23.686 -4.838 -7.895 1.00 61.41 H new ATOM 700 N VAL A 47 20.716 -8.880 -7.742 1.00 13.41 N ATOM 701 CA VAL A 47 19.663 -9.818 -7.372 1.00 23.25 C ATOM 702 C VAL A 47 19.587 -9.989 -5.859 1.00 21.45 C ATOM 703 O VAL A 47 18.509 -9.917 -5.269 1.00 63.32 O ATOM 704 CB VAL A 47 19.886 -11.196 -8.023 1.00 33.35 C ATOM 705 CG1 VAL A 47 18.761 -12.150 -7.651 1.00 31.42 C ATOM 706 CG2 VAL A 47 20.002 -11.059 -9.533 1.00 40.11 C ATOM 0 H VAL A 47 21.362 -9.228 -8.451 1.00 13.41 H new ATOM 0 HA VAL A 47 18.724 -9.400 -7.735 1.00 23.25 H new ATOM 0 HB VAL A 47 20.821 -11.610 -7.646 1.00 33.35 H new ATOM 0 HG11 VAL A 47 18.935 -13.118 -8.120 1.00 31.42 H new ATOM 0 HG12 VAL A 47 18.730 -12.271 -6.568 1.00 31.42 H new ATOM 0 HG13 VAL A 47 17.811 -11.745 -7.998 1.00 31.42 H new ATOM 0 HG21 VAL A 47 20.159 -12.042 -9.977 1.00 40.11 H new ATOM 0 HG22 VAL A 47 19.085 -10.624 -9.930 1.00 40.11 H new ATOM 0 HG23 VAL A 47 20.845 -10.412 -9.776 1.00 40.11 H new ATOM 716 N MET A 48 20.739 -10.216 -5.236 1.00 30.25 N ATOM 717 CA MET A 48 20.803 -10.396 -3.790 1.00 32.12 C ATOM 718 C MET A 48 20.353 -9.132 -3.064 1.00 52.03 C ATOM 719 O MET A 48 19.501 -9.184 -2.177 1.00 61.15 O ATOM 720 CB MET A 48 22.225 -10.764 -3.363 1.00 31.45 C ATOM 721 CG MET A 48 22.298 -12.024 -2.515 1.00 12.13 C ATOM 722 SD MET A 48 23.352 -11.826 -1.065 1.00 52.43 S ATOM 723 CE MET A 48 22.694 -13.100 0.008 1.00 4.44 C ATOM 0 H MET A 48 21.640 -10.280 -5.709 1.00 30.25 H new ATOM 0 HA MET A 48 20.128 -11.208 -3.520 1.00 32.12 H new ATOM 0 HB2 MET A 48 22.839 -10.899 -4.253 1.00 31.45 H new ATOM 0 HB3 MET A 48 22.654 -9.933 -2.803 1.00 31.45 H new ATOM 0 HG2 MET A 48 21.294 -12.300 -2.194 1.00 12.13 H new ATOM 0 HG3 MET A 48 22.675 -12.846 -3.124 1.00 12.13 H new ATOM 0 HE1 MET A 48 23.244 -13.103 0.949 1.00 4.44 H new ATOM 0 HE2 MET A 48 21.640 -12.902 0.205 1.00 4.44 H new ATOM 0 HE3 MET A 48 22.796 -14.072 -0.476 1.00 4.44 H new ATOM 733 N ALA A 49 20.930 -7.998 -3.447 1.00 5.11 N ATOM 734 CA ALA A 49 20.587 -6.721 -2.834 1.00 1.12 C ATOM 735 C ALA A 49 19.086 -6.461 -2.910 1.00 24.31 C ATOM 736 O ALA A 49 18.529 -5.733 -2.087 1.00 45.24 O ATOM 737 CB ALA A 49 21.355 -5.591 -3.503 1.00 51.32 C ATOM 0 H ALA A 49 21.637 -7.938 -4.179 1.00 5.11 H new ATOM 0 HA ALA A 49 20.869 -6.764 -1.782 1.00 1.12 H new ATOM 0 HB1 ALA A 49 21.089 -4.643 -3.035 1.00 51.32 H new ATOM 0 HB2 ALA A 49 22.426 -5.763 -3.391 1.00 51.32 H new ATOM 0 HB3 ALA A 49 21.102 -5.556 -4.563 1.00 51.32 H new ATOM 743 N LEU A 50 18.437 -7.060 -3.902 1.00 33.54 N ATOM 744 CA LEU A 50 16.999 -6.893 -4.086 1.00 22.54 C ATOM 745 C LEU A 50 16.220 -7.758 -3.100 1.00 70.41 C ATOM 746 O LEU A 50 15.350 -7.267 -2.382 1.00 53.04 O ATOM 747 CB LEU A 50 16.604 -7.251 -5.519 1.00 73.33 C ATOM 748 CG LEU A 50 17.049 -6.269 -6.603 1.00 54.13 C ATOM 749 CD1 LEU A 50 16.918 -6.899 -7.981 1.00 61.31 C ATOM 750 CD2 LEU A 50 16.237 -4.984 -6.524 1.00 5.32 C ATOM 0 H LEU A 50 18.883 -7.665 -4.591 1.00 33.54 H new ATOM 0 HA LEU A 50 16.752 -5.848 -3.898 1.00 22.54 H new ATOM 0 HB2 LEU A 50 17.017 -8.232 -5.754 1.00 73.33 H new ATOM 0 HB3 LEU A 50 15.519 -7.343 -5.563 1.00 73.33 H new ATOM 0 HG LEU A 50 18.098 -6.024 -6.436 1.00 54.13 H new ATOM 0 HD11 LEU A 50 17.239 -6.185 -8.739 1.00 61.31 H new ATOM 0 HD12 LEU A 50 17.543 -7.791 -8.034 1.00 61.31 H new ATOM 0 HD13 LEU A 50 15.878 -7.173 -8.158 1.00 61.31 H new ATOM 0 HD21 LEU A 50 16.567 -4.297 -7.303 1.00 5.32 H new ATOM 0 HD22 LEU A 50 15.180 -5.212 -6.665 1.00 5.32 H new ATOM 0 HD23 LEU A 50 16.381 -4.522 -5.547 1.00 5.32 H new ATOM 762 N GLU A 51 16.541 -9.048 -3.070 1.00 73.23 N ATOM 763 CA GLU A 51 15.871 -9.981 -2.171 1.00 50.43 C ATOM 764 C GLU A 51 16.211 -9.672 -0.716 1.00 33.21 C ATOM 765 O GLU A 51 15.571 -10.184 0.203 1.00 43.34 O ATOM 766 CB GLU A 51 16.268 -11.420 -2.505 1.00 62.12 C ATOM 767 CG GLU A 51 17.733 -11.724 -2.241 1.00 44.02 C ATOM 768 CD GLU A 51 17.936 -13.052 -1.538 1.00 2.12 C ATOM 769 OE1 GLU A 51 17.251 -14.029 -1.907 1.00 12.44 O ATOM 770 OE2 GLU A 51 18.779 -13.115 -0.619 1.00 44.50 O ATOM 0 H GLU A 51 17.260 -9.470 -3.657 1.00 73.23 H new ATOM 0 HA GLU A 51 14.795 -9.868 -2.307 1.00 50.43 H new ATOM 0 HB2 GLU A 51 15.653 -12.103 -1.919 1.00 62.12 H new ATOM 0 HB3 GLU A 51 16.049 -11.614 -3.555 1.00 62.12 H new ATOM 0 HG2 GLU A 51 18.275 -11.731 -3.187 1.00 44.02 H new ATOM 0 HG3 GLU A 51 18.162 -10.927 -1.634 1.00 44.02 H new ATOM 777 N GLU A 52 17.222 -8.833 -0.515 1.00 51.14 N ATOM 778 CA GLU A 52 17.647 -8.458 0.828 1.00 44.31 C ATOM 779 C GLU A 52 17.069 -7.102 1.223 1.00 35.23 C ATOM 780 O GLU A 52 16.511 -6.948 2.309 1.00 55.40 O ATOM 781 CB GLU A 52 19.175 -8.416 0.910 1.00 12.20 C ATOM 782 CG GLU A 52 19.699 -7.919 2.247 1.00 40.33 C ATOM 783 CD GLU A 52 19.048 -8.617 3.425 1.00 54.41 C ATOM 784 OE1 GLU A 52 19.115 -9.862 3.487 1.00 24.12 O ATOM 785 OE2 GLU A 52 18.470 -7.918 4.284 1.00 62.02 O ATOM 0 H GLU A 52 17.762 -8.400 -1.265 1.00 51.14 H new ATOM 0 HA GLU A 52 17.273 -9.210 1.523 1.00 44.31 H new ATOM 0 HB2 GLU A 52 19.568 -9.415 0.724 1.00 12.20 H new ATOM 0 HB3 GLU A 52 19.555 -7.771 0.118 1.00 12.20 H new ATOM 0 HG2 GLU A 52 20.777 -8.072 2.290 1.00 40.33 H new ATOM 0 HG3 GLU A 52 19.526 -6.846 2.325 1.00 40.33 H new ATOM 792 N GLU A 53 17.207 -6.124 0.334 1.00 52.02 N ATOM 793 CA GLU A 53 16.699 -4.781 0.591 1.00 71.54 C ATOM 794 C GLU A 53 15.188 -4.723 0.386 1.00 32.24 C ATOM 795 O GLU A 53 14.445 -4.310 1.277 1.00 2.12 O ATOM 796 CB GLU A 53 17.388 -3.768 -0.325 1.00 52.42 C ATOM 797 CG GLU A 53 17.026 -2.324 -0.017 1.00 22.54 C ATOM 798 CD GLU A 53 17.313 -1.946 1.424 1.00 73.44 C ATOM 799 OE1 GLU A 53 18.502 -1.796 1.773 1.00 60.12 O ATOM 800 OE2 GLU A 53 16.346 -1.801 2.201 1.00 4.35 O ATOM 0 H GLU A 53 17.666 -6.236 -0.570 1.00 52.02 H new ATOM 0 HA GLU A 53 16.918 -4.529 1.629 1.00 71.54 H new ATOM 0 HB2 GLU A 53 18.468 -3.889 -0.240 1.00 52.42 H new ATOM 0 HB3 GLU A 53 17.123 -3.987 -1.359 1.00 52.42 H new ATOM 0 HG2 GLU A 53 17.585 -1.664 -0.680 1.00 22.54 H new ATOM 0 HG3 GLU A 53 15.968 -2.166 -0.227 1.00 22.54 H new ATOM 807 N PHE A 54 14.740 -5.139 -0.793 1.00 74.44 N ATOM 808 CA PHE A 54 13.318 -5.134 -1.116 1.00 54.54 C ATOM 809 C PHE A 54 12.620 -6.355 -0.524 1.00 2.40 C ATOM 810 O PHE A 54 11.399 -6.487 -0.609 1.00 22.43 O ATOM 811 CB PHE A 54 13.118 -5.104 -2.633 1.00 54.21 C ATOM 812 CG PHE A 54 13.172 -3.721 -3.218 1.00 34.41 C ATOM 813 CD1 PHE A 54 12.065 -2.889 -3.166 1.00 31.21 C ATOM 814 CD2 PHE A 54 14.329 -3.254 -3.819 1.00 40.11 C ATOM 815 CE1 PHE A 54 12.112 -1.617 -3.704 1.00 71.10 C ATOM 816 CE2 PHE A 54 14.382 -1.982 -4.359 1.00 20.44 C ATOM 817 CZ PHE A 54 13.272 -1.163 -4.300 1.00 1.41 C ATOM 0 H PHE A 54 15.341 -5.484 -1.541 1.00 74.44 H new ATOM 0 HA PHE A 54 12.876 -4.238 -0.680 1.00 54.54 H new ATOM 0 HB2 PHE A 54 13.884 -5.719 -3.105 1.00 54.21 H new ATOM 0 HB3 PHE A 54 12.155 -5.554 -2.873 1.00 54.21 H new ATOM 0 HD1 PHE A 54 11.156 -3.239 -2.700 1.00 31.21 H new ATOM 0 HD2 PHE A 54 15.200 -3.891 -3.867 1.00 40.11 H new ATOM 0 HE1 PHE A 54 11.242 -0.978 -3.658 1.00 71.10 H new ATOM 0 HE2 PHE A 54 15.290 -1.630 -4.826 1.00 20.44 H new ATOM 0 HZ PHE A 54 13.311 -0.169 -4.719 1.00 1.41 H new ATOM 827 N ASP A 55 13.405 -7.244 0.075 1.00 13.41 N ATOM 828 CA ASP A 55 12.864 -8.454 0.682 1.00 32.05 C ATOM 829 C ASP A 55 11.957 -9.194 -0.296 1.00 32.25 C ATOM 830 O ASP A 55 10.895 -9.692 0.080 1.00 32.11 O ATOM 831 CB ASP A 55 12.089 -8.109 1.955 1.00 33.21 C ATOM 832 CG ASP A 55 13.003 -7.771 3.116 1.00 1.11 C ATOM 833 OD1 ASP A 55 13.631 -8.699 3.667 1.00 23.31 O ATOM 834 OD2 ASP A 55 13.091 -6.578 3.473 1.00 1.33 O ATOM 0 H ASP A 55 14.418 -7.149 0.153 1.00 13.41 H new ATOM 0 HA ASP A 55 13.699 -9.106 0.940 1.00 32.05 H new ATOM 0 HB2 ASP A 55 11.430 -7.264 1.758 1.00 33.21 H new ATOM 0 HB3 ASP A 55 11.454 -8.951 2.230 1.00 33.21 H new ATOM 839 N THR A 56 12.382 -9.262 -1.553 1.00 73.35 N ATOM 840 CA THR A 56 11.608 -9.939 -2.586 1.00 75.21 C ATOM 841 C THR A 56 12.178 -11.321 -2.884 1.00 60.10 C ATOM 842 O THR A 56 13.375 -11.468 -3.127 1.00 61.54 O ATOM 843 CB THR A 56 11.572 -9.119 -3.890 1.00 33.24 C ATOM 844 OG1 THR A 56 10.770 -9.790 -4.868 1.00 52.33 O ATOM 845 CG2 THR A 56 12.976 -8.909 -4.435 1.00 40.52 C ATOM 0 H THR A 56 13.259 -8.856 -1.881 1.00 73.35 H new ATOM 0 HA THR A 56 10.593 -10.043 -2.203 1.00 75.21 H new ATOM 0 HB THR A 56 11.136 -8.145 -3.670 1.00 33.24 H new ATOM 0 HG1 THR A 56 11.092 -9.565 -5.766 1.00 52.33 H new ATOM 0 HG21 THR A 56 12.926 -8.328 -5.356 1.00 40.52 H new ATOM 0 HG22 THR A 56 13.575 -8.373 -3.699 1.00 40.52 H new ATOM 0 HG23 THR A 56 13.435 -9.876 -4.641 1.00 40.52 H new ATOM 853 N GLU A 57 11.313 -12.330 -2.864 1.00 21.44 N ATOM 854 CA GLU A 57 11.733 -13.701 -3.132 1.00 10.22 C ATOM 855 C GLU A 57 12.277 -13.835 -4.551 1.00 25.20 C ATOM 856 O GLU A 57 11.548 -13.654 -5.526 1.00 42.35 O ATOM 857 CB GLU A 57 10.562 -14.665 -2.929 1.00 64.35 C ATOM 858 CG GLU A 57 10.072 -14.734 -1.493 1.00 73.11 C ATOM 859 CD GLU A 57 9.103 -15.878 -1.262 1.00 4.25 C ATOM 860 OE1 GLU A 57 9.571 -17.014 -1.037 1.00 41.10 O ATOM 861 OE2 GLU A 57 7.879 -15.637 -1.305 1.00 71.30 O ATOM 0 H GLU A 57 10.318 -12.224 -2.665 1.00 21.44 H new ATOM 0 HA GLU A 57 12.528 -13.955 -2.431 1.00 10.22 H new ATOM 0 HB2 GLU A 57 9.736 -14.360 -3.572 1.00 64.35 H new ATOM 0 HB3 GLU A 57 10.864 -15.662 -3.249 1.00 64.35 H new ATOM 0 HG2 GLU A 57 10.927 -14.847 -0.826 1.00 73.11 H new ATOM 0 HG3 GLU A 57 9.587 -13.793 -1.233 1.00 73.11 H new ATOM 868 N ILE A 58 13.563 -14.153 -4.657 1.00 61.54 N ATOM 869 CA ILE A 58 14.205 -14.313 -5.956 1.00 42.42 C ATOM 870 C ILE A 58 15.066 -15.571 -5.993 1.00 41.34 C ATOM 871 O ILE A 58 16.291 -15.518 -5.883 1.00 22.10 O ATOM 872 CB ILE A 58 15.081 -13.094 -6.304 1.00 71.42 C ATOM 873 CG1 ILE A 58 14.234 -11.820 -6.326 1.00 45.05 C ATOM 874 CG2 ILE A 58 15.770 -13.303 -7.645 1.00 14.23 C ATOM 875 CD1 ILE A 58 13.198 -11.802 -7.428 1.00 32.31 C ATOM 0 H ILE A 58 14.180 -14.305 -3.859 1.00 61.54 H new ATOM 0 HA ILE A 58 13.408 -14.400 -6.694 1.00 42.42 H new ATOM 0 HB ILE A 58 15.848 -12.984 -5.537 1.00 71.42 H new ATOM 0 HG12 ILE A 58 13.732 -11.711 -5.365 1.00 45.05 H new ATOM 0 HG13 ILE A 58 14.891 -10.958 -6.442 1.00 45.05 H new ATOM 0 HG21 ILE A 58 16.385 -12.434 -7.877 1.00 14.23 H new ATOM 0 HG22 ILE A 58 16.400 -14.191 -7.596 1.00 14.23 H new ATOM 0 HG23 ILE A 58 15.019 -13.434 -8.424 1.00 14.23 H new ATOM 0 HD11 ILE A 58 12.635 -10.870 -7.383 1.00 32.31 H new ATOM 0 HD12 ILE A 58 13.694 -11.880 -8.395 1.00 32.31 H new ATOM 0 HD13 ILE A 58 12.517 -12.644 -7.301 1.00 32.31 H new ATOM 887 N PRO A 59 14.412 -16.731 -6.155 1.00 0.44 N ATOM 888 CA PRO A 59 15.098 -18.025 -6.213 1.00 1.32 C ATOM 889 C PRO A 59 15.911 -18.193 -7.492 1.00 3.32 C ATOM 890 O PRO A 59 15.999 -17.275 -8.308 1.00 32.20 O ATOM 891 CB PRO A 59 13.950 -19.037 -6.172 1.00 44.31 C ATOM 892 CG PRO A 59 12.776 -18.300 -6.717 1.00 51.30 C ATOM 893 CD PRO A 59 12.952 -16.868 -6.293 1.00 4.11 C ATOM 0 HA PRO A 59 15.817 -18.142 -5.402 1.00 1.32 H new ATOM 0 HB2 PRO A 59 14.177 -19.918 -6.772 1.00 44.31 H new ATOM 0 HB3 PRO A 59 13.763 -19.383 -5.155 1.00 44.31 H new ATOM 0 HG2 PRO A 59 12.733 -18.383 -7.803 1.00 51.30 H new ATOM 0 HG3 PRO A 59 11.844 -18.710 -6.329 1.00 51.30 H new ATOM 0 HD2 PRO A 59 12.552 -16.177 -7.035 1.00 4.11 H new ATOM 0 HD3 PRO A 59 12.438 -16.661 -5.354 1.00 4.11 H new ATOM 901 N ASP A 60 16.504 -19.370 -7.660 1.00 50.40 N ATOM 902 CA ASP A 60 17.309 -19.658 -8.841 1.00 62.22 C ATOM 903 C ASP A 60 16.528 -19.361 -10.117 1.00 40.13 C ATOM 904 O ASP A 60 17.027 -18.687 -11.018 1.00 55.10 O ATOM 905 CB ASP A 60 17.759 -21.120 -8.833 1.00 4.11 C ATOM 906 CG ASP A 60 18.721 -21.423 -7.700 1.00 75.34 C ATOM 907 OD1 ASP A 60 19.746 -20.720 -7.589 1.00 23.20 O ATOM 908 OD2 ASP A 60 18.447 -22.364 -6.926 1.00 24.41 O ATOM 0 H ASP A 60 16.442 -20.140 -6.993 1.00 50.40 H new ATOM 0 HA ASP A 60 18.188 -19.014 -8.817 1.00 62.22 H new ATOM 0 HB2 ASP A 60 16.885 -21.766 -8.746 1.00 4.11 H new ATOM 0 HB3 ASP A 60 18.236 -21.356 -9.784 1.00 4.11 H new ATOM 913 N GLU A 61 15.302 -19.869 -10.187 1.00 33.34 N ATOM 914 CA GLU A 61 14.453 -19.659 -11.354 1.00 22.23 C ATOM 915 C GLU A 61 14.330 -18.173 -11.676 1.00 41.24 C ATOM 916 O GLU A 61 14.836 -17.705 -12.696 1.00 72.21 O ATOM 917 CB GLU A 61 13.065 -20.257 -11.117 1.00 71.50 C ATOM 918 CG GLU A 61 13.006 -21.761 -11.327 1.00 62.15 C ATOM 919 CD GLU A 61 13.533 -22.538 -10.137 1.00 3.14 C ATOM 920 OE1 GLU A 61 12.804 -22.643 -9.128 1.00 4.32 O ATOM 921 OE2 GLU A 61 14.674 -23.040 -10.213 1.00 32.40 O ATOM 0 H GLU A 61 14.874 -20.429 -9.450 1.00 33.34 H new ATOM 0 HA GLU A 61 14.916 -20.161 -12.204 1.00 22.23 H new ATOM 0 HB2 GLU A 61 12.749 -20.028 -10.099 1.00 71.50 H new ATOM 0 HB3 GLU A 61 12.352 -19.777 -11.788 1.00 71.50 H new ATOM 0 HG2 GLU A 61 11.975 -22.057 -11.521 1.00 62.15 H new ATOM 0 HG3 GLU A 61 13.585 -22.023 -12.212 1.00 62.15 H new ATOM 928 N GLU A 62 13.654 -17.437 -10.800 1.00 1.23 N ATOM 929 CA GLU A 62 13.463 -16.004 -10.992 1.00 64.02 C ATOM 930 C GLU A 62 14.803 -15.298 -11.181 1.00 53.54 C ATOM 931 O GLU A 62 14.876 -14.241 -11.809 1.00 20.24 O ATOM 932 CB GLU A 62 12.720 -15.401 -9.798 1.00 43.13 C ATOM 933 CG GLU A 62 11.245 -15.763 -9.753 1.00 64.31 C ATOM 934 CD GLU A 62 10.985 -17.058 -9.008 1.00 24.11 C ATOM 935 OE1 GLU A 62 11.306 -18.133 -9.556 1.00 32.32 O ATOM 936 OE2 GLU A 62 10.461 -16.995 -7.876 1.00 24.31 O ATOM 0 H GLU A 62 13.229 -17.809 -9.950 1.00 1.23 H new ATOM 0 HA GLU A 62 12.865 -15.860 -11.892 1.00 64.02 H new ATOM 0 HB2 GLU A 62 13.196 -15.737 -8.877 1.00 43.13 H new ATOM 0 HB3 GLU A 62 12.818 -14.316 -9.830 1.00 43.13 H new ATOM 0 HG2 GLU A 62 10.691 -14.955 -9.275 1.00 64.31 H new ATOM 0 HG3 GLU A 62 10.865 -15.851 -10.771 1.00 64.31 H new ATOM 943 N ALA A 63 15.859 -15.889 -10.634 1.00 4.32 N ATOM 944 CA ALA A 63 17.196 -15.318 -10.743 1.00 1.21 C ATOM 945 C ALA A 63 17.743 -15.467 -12.159 1.00 13.43 C ATOM 946 O ALA A 63 18.545 -14.651 -12.612 1.00 72.23 O ATOM 947 CB ALA A 63 18.134 -15.975 -9.741 1.00 41.12 C ATOM 0 H ALA A 63 15.815 -16.763 -10.111 1.00 4.32 H new ATOM 0 HA ALA A 63 17.129 -14.254 -10.518 1.00 1.21 H new ATOM 0 HB1 ALA A 63 19.129 -15.539 -9.834 1.00 41.12 H new ATOM 0 HB2 ALA A 63 17.759 -15.812 -8.731 1.00 41.12 H new ATOM 0 HB3 ALA A 63 18.187 -17.045 -9.940 1.00 41.12 H new ATOM 953 N GLU A 64 17.303 -16.513 -12.851 1.00 24.12 N ATOM 954 CA GLU A 64 17.751 -16.768 -14.215 1.00 21.31 C ATOM 955 C GLU A 64 17.040 -15.848 -15.202 1.00 54.42 C ATOM 956 O GLU A 64 17.617 -15.430 -16.206 1.00 52.33 O ATOM 957 CB GLU A 64 17.501 -18.230 -14.592 1.00 50.14 C ATOM 958 CG GLU A 64 18.615 -19.169 -14.162 1.00 44.14 C ATOM 959 CD GLU A 64 18.148 -20.605 -14.027 1.00 64.21 C ATOM 960 OE1 GLU A 64 18.116 -21.318 -15.052 1.00 33.13 O ATOM 961 OE2 GLU A 64 17.816 -21.016 -12.896 1.00 32.05 O ATOM 0 H GLU A 64 16.638 -17.197 -12.490 1.00 24.12 H new ATOM 0 HA GLU A 64 18.821 -16.566 -14.263 1.00 21.31 H new ATOM 0 HB2 GLU A 64 16.566 -18.558 -14.139 1.00 50.14 H new ATOM 0 HB3 GLU A 64 17.374 -18.301 -15.672 1.00 50.14 H new ATOM 0 HG2 GLU A 64 19.426 -19.121 -14.889 1.00 44.14 H new ATOM 0 HG3 GLU A 64 19.021 -18.832 -13.208 1.00 44.14 H new ATOM 968 N LYS A 65 15.782 -15.536 -14.910 1.00 15.30 N ATOM 969 CA LYS A 65 14.989 -14.664 -15.770 1.00 23.43 C ATOM 970 C LYS A 65 15.280 -13.197 -15.473 1.00 44.32 C ATOM 971 O LYS A 65 15.239 -12.353 -16.369 1.00 54.11 O ATOM 972 CB LYS A 65 13.497 -14.947 -15.581 1.00 62.53 C ATOM 973 CG LYS A 65 12.920 -14.347 -14.311 1.00 73.02 C ATOM 974 CD LYS A 65 11.428 -14.613 -14.197 1.00 22.45 C ATOM 975 CE LYS A 65 10.617 -13.576 -14.957 1.00 74.02 C ATOM 976 NZ LYS A 65 9.198 -13.997 -15.127 1.00 43.02 N ATOM 0 H LYS A 65 15.289 -15.874 -14.084 1.00 15.30 H new ATOM 0 HA LYS A 65 15.263 -14.869 -16.805 1.00 23.43 H new ATOM 0 HB2 LYS A 65 12.950 -14.556 -16.439 1.00 62.53 H new ATOM 0 HB3 LYS A 65 13.339 -16.025 -15.568 1.00 62.53 H new ATOM 0 HG2 LYS A 65 13.432 -14.765 -13.444 1.00 73.02 H new ATOM 0 HG3 LYS A 65 13.101 -13.272 -14.300 1.00 73.02 H new ATOM 0 HD2 LYS A 65 11.204 -15.607 -14.585 1.00 22.45 H new ATOM 0 HD3 LYS A 65 11.136 -14.607 -13.147 1.00 22.45 H new ATOM 0 HE2 LYS A 65 10.653 -12.626 -14.424 1.00 74.02 H new ATOM 0 HE3 LYS A 65 11.066 -13.410 -15.936 1.00 74.02 H new ATOM 0 HZ1 LYS A 65 8.678 -13.263 -15.650 1.00 43.02 H new ATOM 0 HZ2 LYS A 65 9.162 -14.891 -15.657 1.00 43.02 H new ATOM 0 HZ3 LYS A 65 8.761 -14.131 -14.193 1.00 43.02 H new ATOM 990 N ILE A 66 15.576 -12.900 -14.212 1.00 42.14 N ATOM 991 CA ILE A 66 15.877 -11.535 -13.800 1.00 12.42 C ATOM 992 C ILE A 66 17.368 -11.240 -13.919 1.00 23.13 C ATOM 993 O ILE A 66 18.119 -11.376 -12.952 1.00 31.21 O ATOM 994 CB ILE A 66 15.427 -11.273 -12.350 1.00 42.53 C ATOM 995 CG1 ILE A 66 13.918 -11.483 -12.216 1.00 14.34 C ATOM 996 CG2 ILE A 66 15.812 -9.864 -11.923 1.00 14.10 C ATOM 997 CD1 ILE A 66 13.096 -10.483 -12.999 1.00 1.23 C ATOM 0 H ILE A 66 15.614 -13.586 -13.458 1.00 42.14 H new ATOM 0 HA ILE A 66 15.325 -10.875 -14.469 1.00 12.42 H new ATOM 0 HB ILE A 66 15.933 -11.981 -11.694 1.00 42.53 H new ATOM 0 HG12 ILE A 66 13.668 -12.489 -12.553 1.00 14.34 H new ATOM 0 HG13 ILE A 66 13.643 -11.422 -11.163 1.00 14.34 H new ATOM 0 HG21 ILE A 66 15.488 -9.693 -10.896 1.00 14.10 H new ATOM 0 HG22 ILE A 66 16.894 -9.748 -11.986 1.00 14.10 H new ATOM 0 HG23 ILE A 66 15.331 -9.140 -12.581 1.00 14.10 H new ATOM 0 HD11 ILE A 66 12.036 -10.693 -12.857 1.00 1.23 H new ATOM 0 HD12 ILE A 66 13.317 -9.475 -12.647 1.00 1.23 H new ATOM 0 HD13 ILE A 66 13.342 -10.559 -14.058 1.00 1.23 H new ATOM 1009 N THR A 67 17.793 -10.834 -15.111 1.00 55.53 N ATOM 1010 CA THR A 67 19.194 -10.519 -15.357 1.00 40.44 C ATOM 1011 C THR A 67 19.343 -9.156 -16.024 1.00 15.20 C ATOM 1012 O THR A 67 20.344 -8.882 -16.686 1.00 5.14 O ATOM 1013 CB THR A 67 19.863 -11.587 -16.244 1.00 15.53 C ATOM 1014 OG1 THR A 67 19.315 -11.538 -17.566 1.00 20.51 O ATOM 1015 CG2 THR A 67 19.666 -12.977 -15.658 1.00 15.51 C ATOM 0 H THR A 67 17.186 -10.716 -15.922 1.00 55.53 H new ATOM 0 HA THR A 67 19.688 -10.501 -14.386 1.00 40.44 H new ATOM 0 HB THR A 67 20.932 -11.376 -16.286 1.00 15.53 H new ATOM 0 HG1 THR A 67 19.746 -12.218 -18.124 1.00 20.51 H new ATOM 0 HG21 THR A 67 20.147 -13.714 -16.301 1.00 15.51 H new ATOM 0 HG22 THR A 67 20.110 -13.019 -14.663 1.00 15.51 H new ATOM 0 HG23 THR A 67 18.600 -13.195 -15.589 1.00 15.51 H new ATOM 1023 N THR A 68 18.339 -8.302 -15.845 1.00 70.25 N ATOM 1024 CA THR A 68 18.358 -6.967 -16.430 1.00 72.31 C ATOM 1025 C THR A 68 17.764 -5.940 -15.474 1.00 12.34 C ATOM 1026 O THR A 68 17.207 -6.293 -14.434 1.00 70.31 O ATOM 1027 CB THR A 68 17.580 -6.925 -17.759 1.00 11.01 C ATOM 1028 OG1 THR A 68 16.172 -6.984 -17.504 1.00 50.44 O ATOM 1029 CG2 THR A 68 17.986 -8.081 -18.661 1.00 11.23 C ATOM 0 H THR A 68 17.503 -8.512 -15.300 1.00 70.25 H new ATOM 0 HA THR A 68 19.402 -6.720 -16.621 1.00 72.31 H new ATOM 0 HB THR A 68 17.819 -5.989 -18.265 1.00 11.01 H new ATOM 0 HG1 THR A 68 15.684 -6.955 -18.353 1.00 50.44 H new ATOM 0 HG21 THR A 68 17.423 -8.030 -19.593 1.00 11.23 H new ATOM 0 HG22 THR A 68 19.052 -8.017 -18.877 1.00 11.23 H new ATOM 0 HG23 THR A 68 17.773 -9.025 -18.160 1.00 11.23 H new ATOM 1037 N VAL A 69 17.885 -4.665 -15.831 1.00 62.35 N ATOM 1038 CA VAL A 69 17.358 -3.586 -15.005 1.00 43.33 C ATOM 1039 C VAL A 69 15.834 -3.572 -15.025 1.00 31.50 C ATOM 1040 O VAL A 69 15.189 -3.755 -13.993 1.00 21.31 O ATOM 1041 CB VAL A 69 17.879 -2.214 -15.475 1.00 73.20 C ATOM 1042 CG1 VAL A 69 17.294 -1.100 -14.621 1.00 11.22 C ATOM 1043 CG2 VAL A 69 19.399 -2.182 -15.441 1.00 2.43 C ATOM 0 H VAL A 69 18.344 -4.354 -16.687 1.00 62.35 H new ATOM 0 HA VAL A 69 17.703 -3.769 -13.987 1.00 43.33 H new ATOM 0 HB VAL A 69 17.558 -2.056 -16.505 1.00 73.20 H new ATOM 0 HG11 VAL A 69 17.673 -0.139 -14.968 1.00 11.22 H new ATOM 0 HG12 VAL A 69 16.207 -1.112 -14.702 1.00 11.22 H new ATOM 0 HG13 VAL A 69 17.582 -1.250 -13.580 1.00 11.22 H new ATOM 0 HG21 VAL A 69 19.750 -1.206 -15.776 1.00 2.43 H new ATOM 0 HG22 VAL A 69 19.744 -2.362 -14.423 1.00 2.43 H new ATOM 0 HG23 VAL A 69 19.794 -2.955 -16.100 1.00 2.43 H new ATOM 1053 N GLN A 70 15.265 -3.355 -16.206 1.00 73.43 N ATOM 1054 CA GLN A 70 13.815 -3.318 -16.360 1.00 22.31 C ATOM 1055 C GLN A 70 13.168 -4.541 -15.717 1.00 42.31 C ATOM 1056 O GLN A 70 12.107 -4.442 -15.102 1.00 0.11 O ATOM 1057 CB GLN A 70 13.440 -3.247 -17.841 1.00 72.51 C ATOM 1058 CG GLN A 70 11.953 -3.426 -18.101 1.00 72.41 C ATOM 1059 CD GLN A 70 11.092 -2.667 -17.111 1.00 73.11 C ATOM 1060 OE1 GLN A 70 10.112 -3.198 -16.587 1.00 61.54 O ATOM 1061 NE2 GLN A 70 11.453 -1.417 -16.849 1.00 2.41 N ATOM 0 H GLN A 70 15.785 -3.202 -17.070 1.00 73.43 H new ATOM 0 HA GLN A 70 13.444 -2.426 -15.856 1.00 22.31 H new ATOM 0 HB2 GLN A 70 13.757 -2.284 -18.242 1.00 72.51 H new ATOM 0 HB3 GLN A 70 13.990 -4.015 -18.384 1.00 72.51 H new ATOM 0 HG2 GLN A 70 11.722 -3.089 -19.111 1.00 72.41 H new ATOM 0 HG3 GLN A 70 11.705 -4.486 -18.054 1.00 72.41 H new ATOM 0 HE21 GLN A 70 12.272 -1.016 -17.306 1.00 2.41 H new ATOM 0 HE22 GLN A 70 10.911 -0.857 -16.191 1.00 2.41 H new ATOM 1070 N ALA A 71 13.815 -5.693 -15.865 1.00 15.54 N ATOM 1071 CA ALA A 71 13.303 -6.934 -15.297 1.00 52.31 C ATOM 1072 C ALA A 71 13.313 -6.886 -13.773 1.00 2.20 C ATOM 1073 O ALA A 71 12.323 -7.223 -13.125 1.00 73.23 O ATOM 1074 CB ALA A 71 14.118 -8.118 -15.795 1.00 44.44 C ATOM 0 H ALA A 71 14.694 -5.792 -16.373 1.00 15.54 H new ATOM 0 HA ALA A 71 12.270 -7.055 -15.624 1.00 52.31 H new ATOM 0 HB1 ALA A 71 13.725 -9.038 -15.363 1.00 44.44 H new ATOM 0 HB2 ALA A 71 14.055 -8.172 -16.882 1.00 44.44 H new ATOM 0 HB3 ALA A 71 15.159 -7.994 -15.498 1.00 44.44 H new ATOM 1080 N ALA A 72 14.439 -6.465 -13.206 1.00 64.25 N ATOM 1081 CA ALA A 72 14.578 -6.372 -11.758 1.00 73.14 C ATOM 1082 C ALA A 72 13.606 -5.350 -11.179 1.00 0.33 C ATOM 1083 O ALA A 72 12.820 -5.664 -10.285 1.00 30.34 O ATOM 1084 CB ALA A 72 16.009 -6.013 -11.387 1.00 13.21 C ATOM 0 H ALA A 72 15.269 -6.183 -13.728 1.00 64.25 H new ATOM 0 HA ALA A 72 14.338 -7.346 -11.331 1.00 73.14 H new ATOM 0 HB1 ALA A 72 16.098 -5.947 -10.303 1.00 13.21 H new ATOM 0 HB2 ALA A 72 16.685 -6.782 -11.761 1.00 13.21 H new ATOM 0 HB3 ALA A 72 16.270 -5.053 -11.832 1.00 13.21 H new ATOM 1090 N ILE A 73 13.666 -4.126 -11.693 1.00 10.14 N ATOM 1091 CA ILE A 73 12.791 -3.058 -11.226 1.00 33.15 C ATOM 1092 C ILE A 73 11.324 -3.462 -11.334 1.00 63.12 C ATOM 1093 O ILE A 73 10.506 -3.103 -10.487 1.00 43.33 O ATOM 1094 CB ILE A 73 13.014 -1.759 -12.021 1.00 52.44 C ATOM 1095 CG1 ILE A 73 12.234 -0.605 -11.386 1.00 61.52 C ATOM 1096 CG2 ILE A 73 12.600 -1.949 -13.473 1.00 11.20 C ATOM 1097 CD1 ILE A 73 13.073 0.261 -10.474 1.00 4.05 C ATOM 0 H ILE A 73 14.311 -3.849 -12.433 1.00 10.14 H new ATOM 0 HA ILE A 73 13.040 -2.881 -10.180 1.00 33.15 H new ATOM 0 HB ILE A 73 14.075 -1.513 -11.995 1.00 52.44 H new ATOM 0 HG12 ILE A 73 11.812 0.016 -12.176 1.00 61.52 H new ATOM 0 HG13 ILE A 73 11.397 -1.012 -10.819 1.00 61.52 H new ATOM 0 HG21 ILE A 73 12.764 -1.022 -14.022 1.00 11.20 H new ATOM 0 HG22 ILE A 73 13.195 -2.745 -13.920 1.00 11.20 H new ATOM 0 HG23 ILE A 73 11.544 -2.216 -13.518 1.00 11.20 H new ATOM 0 HD11 ILE A 73 12.456 1.058 -10.060 1.00 4.05 H new ATOM 0 HD12 ILE A 73 13.474 -0.347 -9.663 1.00 4.05 H new ATOM 0 HD13 ILE A 73 13.895 0.697 -11.041 1.00 4.05 H new ATOM 1109 N ASP A 74 10.999 -4.213 -12.381 1.00 4.21 N ATOM 1110 CA ASP A 74 9.632 -4.669 -12.600 1.00 34.15 C ATOM 1111 C ASP A 74 9.227 -5.697 -11.548 1.00 21.15 C ATOM 1112 O ASP A 74 8.085 -5.713 -11.088 1.00 31.50 O ATOM 1113 CB ASP A 74 9.489 -5.270 -13.999 1.00 2.22 C ATOM 1114 CG ASP A 74 8.053 -5.620 -14.335 1.00 50.22 C ATOM 1115 OD1 ASP A 74 7.148 -4.855 -13.941 1.00 44.41 O ATOM 1116 OD2 ASP A 74 7.833 -6.659 -14.992 1.00 24.31 O ATOM 0 H ASP A 74 11.664 -4.519 -13.091 1.00 4.21 H new ATOM 0 HA ASP A 74 8.970 -3.807 -12.514 1.00 34.15 H new ATOM 0 HB2 ASP A 74 9.869 -4.562 -14.736 1.00 2.22 H new ATOM 0 HB3 ASP A 74 10.105 -6.167 -14.071 1.00 2.22 H new ATOM 1121 N TYR A 75 10.170 -6.554 -11.172 1.00 1.44 N ATOM 1122 CA TYR A 75 9.911 -7.587 -10.177 1.00 21.45 C ATOM 1123 C TYR A 75 9.609 -6.969 -8.815 1.00 21.32 C ATOM 1124 O TYR A 75 8.513 -7.128 -8.277 1.00 22.31 O ATOM 1125 CB TYR A 75 11.110 -8.531 -10.066 1.00 42.43 C ATOM 1126 CG TYR A 75 10.777 -9.862 -9.433 1.00 31.34 C ATOM 1127 CD1 TYR A 75 10.323 -9.936 -8.121 1.00 64.25 C ATOM 1128 CD2 TYR A 75 10.915 -11.047 -10.146 1.00 14.12 C ATOM 1129 CE1 TYR A 75 10.019 -11.151 -7.538 1.00 55.15 C ATOM 1130 CE2 TYR A 75 10.611 -12.266 -9.571 1.00 54.04 C ATOM 1131 CZ TYR A 75 10.163 -12.313 -8.267 1.00 45.24 C ATOM 1132 OH TYR A 75 9.859 -13.525 -7.691 1.00 4.42 O ATOM 0 H TYR A 75 11.121 -6.553 -11.542 1.00 1.44 H new ATOM 0 HA TYR A 75 9.038 -8.155 -10.500 1.00 21.45 H new ATOM 0 HB2 TYR A 75 11.519 -8.704 -11.062 1.00 42.43 H new ATOM 0 HB3 TYR A 75 11.891 -8.045 -9.481 1.00 42.43 H new ATOM 0 HD1 TYR A 75 10.206 -9.028 -7.548 1.00 64.25 H new ATOM 0 HD2 TYR A 75 11.266 -11.014 -11.167 1.00 14.12 H new ATOM 0 HE1 TYR A 75 9.670 -11.191 -6.517 1.00 55.15 H new ATOM 0 HE2 TYR A 75 10.724 -13.177 -10.139 1.00 54.04 H new ATOM 0 HH TYR A 75 10.464 -13.690 -6.938 1.00 4.42 H new ATOM 1142 N VAL A 76 10.590 -6.262 -8.262 1.00 70.34 N ATOM 1143 CA VAL A 76 10.431 -5.618 -6.964 1.00 55.24 C ATOM 1144 C VAL A 76 9.203 -4.714 -6.947 1.00 32.14 C ATOM 1145 O VAL A 76 8.454 -4.687 -5.971 1.00 52.11 O ATOM 1146 CB VAL A 76 11.673 -4.785 -6.595 1.00 34.32 C ATOM 1147 CG1 VAL A 76 12.861 -5.693 -6.318 1.00 20.34 C ATOM 1148 CG2 VAL A 76 11.996 -3.792 -7.701 1.00 23.32 C ATOM 0 H VAL A 76 11.503 -6.121 -8.693 1.00 70.34 H new ATOM 0 HA VAL A 76 10.304 -6.413 -6.229 1.00 55.24 H new ATOM 0 HB VAL A 76 11.456 -4.223 -5.686 1.00 34.32 H new ATOM 0 HG11 VAL A 76 13.729 -5.087 -6.059 1.00 20.34 H new ATOM 0 HG12 VAL A 76 12.624 -6.360 -5.489 1.00 20.34 H new ATOM 0 HG13 VAL A 76 13.083 -6.283 -7.207 1.00 20.34 H new ATOM 0 HG21 VAL A 76 12.876 -3.212 -7.424 1.00 23.32 H new ATOM 0 HG22 VAL A 76 12.194 -4.331 -8.628 1.00 23.32 H new ATOM 0 HG23 VAL A 76 11.150 -3.120 -7.846 1.00 23.32 H new ATOM 1158 N ASN A 77 9.003 -3.976 -8.033 1.00 52.53 N ATOM 1159 CA ASN A 77 7.865 -3.070 -8.143 1.00 1.41 C ATOM 1160 C ASN A 77 6.557 -3.848 -8.236 1.00 35.51 C ATOM 1161 O ASN A 77 5.503 -3.364 -7.823 1.00 1.04 O ATOM 1162 CB ASN A 77 8.022 -2.166 -9.368 1.00 20.31 C ATOM 1163 CG ASN A 77 7.027 -1.022 -9.373 1.00 43.34 C ATOM 1164 OD1 ASN A 77 5.817 -1.237 -9.442 1.00 41.33 O ATOM 1165 ND2 ASN A 77 7.535 0.203 -9.301 1.00 12.32 N ATOM 0 H ASN A 77 9.614 -3.987 -8.850 1.00 52.53 H new ATOM 0 HA ASN A 77 7.837 -2.452 -7.245 1.00 1.41 H new ATOM 0 HB2 ASN A 77 9.035 -1.763 -9.392 1.00 20.31 H new ATOM 0 HB3 ASN A 77 7.894 -2.760 -10.273 1.00 20.31 H new ATOM 0 HD21 ASN A 77 6.915 1.013 -9.301 1.00 12.32 H new ATOM 0 HD22 ASN A 77 8.545 0.334 -9.245 1.00 12.32 H new ATOM 1172 N SER A 78 6.632 -5.058 -8.781 1.00 32.51 N ATOM 1173 CA SER A 78 5.453 -5.904 -8.931 1.00 42.22 C ATOM 1174 C SER A 78 5.128 -6.619 -7.624 1.00 35.43 C ATOM 1175 O SER A 78 3.963 -6.870 -7.313 1.00 15.21 O ATOM 1176 CB SER A 78 5.673 -6.929 -10.046 1.00 3.35 C ATOM 1177 OG SER A 78 4.708 -7.964 -9.984 1.00 55.14 O ATOM 0 H SER A 78 7.497 -5.475 -9.126 1.00 32.51 H new ATOM 0 HA SER A 78 4.610 -5.266 -9.195 1.00 42.22 H new ATOM 0 HB2 SER A 78 5.618 -6.434 -11.016 1.00 3.35 H new ATOM 0 HB3 SER A 78 6.673 -7.354 -9.961 1.00 3.35 H new ATOM 0 HG SER A 78 4.869 -8.605 -10.707 1.00 55.14 H new ATOM 1183 N HIS A 79 6.166 -6.946 -6.861 1.00 31.32 N ATOM 1184 CA HIS A 79 5.992 -7.633 -5.586 1.00 13.13 C ATOM 1185 C HIS A 79 5.903 -6.632 -4.438 1.00 35.25 C ATOM 1186 O HIS A 79 6.720 -6.655 -3.518 1.00 61.01 O ATOM 1187 CB HIS A 79 7.148 -8.604 -5.343 1.00 53.40 C ATOM 1188 CG HIS A 79 7.066 -9.851 -6.169 1.00 1.35 C ATOM 1189 ND1 HIS A 79 6.876 -9.838 -7.534 1.00 75.11 N ATOM 1190 CD2 HIS A 79 7.152 -11.154 -5.814 1.00 60.21 C ATOM 1191 CE1 HIS A 79 6.846 -11.080 -7.984 1.00 0.02 C ATOM 1192 NE2 HIS A 79 7.012 -11.898 -6.960 1.00 41.20 N ATOM 0 H HIS A 79 7.136 -6.746 -7.103 1.00 31.32 H new ATOM 0 HA HIS A 79 5.059 -8.195 -5.629 1.00 13.13 H new ATOM 0 HB2 HIS A 79 8.089 -8.097 -5.558 1.00 53.40 H new ATOM 0 HB3 HIS A 79 7.167 -8.877 -4.288 1.00 53.40 H new ATOM 0 HD2 HIS A 79 7.303 -11.537 -4.816 1.00 60.21 H new ATOM 0 HE1 HIS A 79 6.709 -11.376 -9.014 1.00 0.02 H new ATOM 0 HE2 HIS A 79 7.033 -12.916 -7.012 1.00 41.20 H new ATOM 1200 N GLN A 80 4.905 -5.756 -4.499 1.00 44.40 N ATOM 1201 CA GLN A 80 4.711 -4.746 -3.465 1.00 24.22 C ATOM 1202 C GLN A 80 3.473 -5.054 -2.629 1.00 42.23 C ATOM 1203 O GLN A 80 2.921 -4.172 -1.971 1.00 55.31 O ATOM 1204 CB GLN A 80 4.584 -3.358 -4.095 1.00 22.13 C ATOM 1205 CG GLN A 80 3.656 -3.319 -5.298 1.00 13.32 C ATOM 1206 CD GLN A 80 3.425 -1.911 -5.811 1.00 33.01 C ATOM 1207 OE1 GLN A 80 4.480 -1.285 -6.319 1.00 70.45 O flip ATOM 1208 NE2 GLN A 80 2.310 -1.391 -5.751 1.00 20.23 N flip ATOM 0 H GLN A 80 4.219 -5.725 -5.253 1.00 44.40 H new ATOM 0 HA GLN A 80 5.582 -4.761 -2.810 1.00 24.22 H new ATOM 0 HB2 GLN A 80 4.220 -2.659 -3.343 1.00 22.13 H new ATOM 0 HB3 GLN A 80 5.573 -3.014 -4.398 1.00 22.13 H new ATOM 0 HG2 GLN A 80 4.078 -3.928 -6.097 1.00 13.32 H new ATOM 0 HG3 GLN A 80 2.699 -3.765 -5.028 1.00 13.32 H new ATOM 0 HE21 GLN A 80 1.527 -1.909 -5.353 1.00 20.23 H new ATOM 0 HE22 GLN A 80 2.170 -0.443 -6.100 1.00 20.23 H new TER 1217 GLN A 80