USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 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 -72:sc= 0.824 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -2.19 K(o=-1.4,f=-2.1) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -163:sc= 1.1 (180deg=-0.106) USER MOD Set 2.2: A 28 ASN : amide:sc= 0.044 K(o=1.1,f=-4.5) USER MOD Single : A 1 GLY N :NH3+ -169:sc= -0.0257 (180deg=-0.171) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0184 K(o=-0.018,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -7.88! C(o=-7.9!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.315) USER MOD Single : A 31 SER OG : rot 131:sc= -0.729! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -57:sc= 0.939 USER MOD Single : A 48 MET CE :methyl 175:sc= 0 (180deg=-0.0127) USER MOD Single : A 56 THR OG1 : rot -150:sc= -2.19 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 USER MOD Single : A 70 GLN : amide:sc= -2.04 X(o=-2,f=-1.8) USER MOD Single : A 77 ASN : amide:sc= -0.554 K(o=-0.55,f=-2.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.705 K(o=-0.71,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.052 0.613 -1.234 1.00 41.24 N ATOM 2 CA GLY A 1 1.603 1.329 -0.098 1.00 64.54 C ATOM 3 C GLY A 1 2.881 2.067 -0.443 1.00 44.21 C ATOM 4 O GLY A 1 3.211 3.076 0.181 1.00 14.14 O ATOM 0 H1 GLY A 1 0.093 0.282 -1.004 1.00 41.24 H new ATOM 0 H2 GLY A 1 1.011 1.247 -2.057 1.00 41.24 H new ATOM 0 H3 GLY A 1 1.656 -0.204 -1.456 1.00 41.24 H new ATOM 0 HA2 GLY A 1 0.865 2.040 0.272 1.00 64.54 H new ATOM 0 HA3 GLY A 1 1.800 0.625 0.710 1.00 64.54 H new ATOM 8 N ILE A 2 3.604 1.564 -1.438 1.00 71.40 N ATOM 9 CA ILE A 2 4.853 2.183 -1.864 1.00 21.54 C ATOM 10 C ILE A 2 4.660 2.984 -3.146 1.00 44.51 C ATOM 11 O ILE A 2 4.054 2.521 -4.112 1.00 65.15 O ATOM 12 CB ILE A 2 5.954 1.130 -2.090 1.00 63.13 C ATOM 13 CG1 ILE A 2 6.164 0.298 -0.823 1.00 53.12 C ATOM 14 CG2 ILE A 2 7.253 1.803 -2.509 1.00 13.30 C ATOM 15 CD1 ILE A 2 5.347 -0.975 -0.794 1.00 50.31 C ATOM 0 H ILE A 2 3.346 0.729 -1.964 1.00 71.40 H new ATOM 0 HA ILE A 2 5.162 2.854 -1.063 1.00 21.54 H new ATOM 0 HB ILE A 2 5.638 0.463 -2.892 1.00 63.13 H new ATOM 0 HG12 ILE A 2 7.220 0.044 -0.736 1.00 53.12 H new ATOM 0 HG13 ILE A 2 5.909 0.904 0.046 1.00 53.12 H new ATOM 0 HG21 ILE A 2 8.021 1.046 -2.665 1.00 13.30 H new ATOM 0 HG22 ILE A 2 7.094 2.355 -3.435 1.00 13.30 H new ATOM 0 HG23 ILE A 2 7.575 2.491 -1.727 1.00 13.30 H new ATOM 0 HD11 ILE A 2 5.546 -1.514 0.132 1.00 50.31 H new ATOM 0 HD12 ILE A 2 4.287 -0.728 -0.850 1.00 50.31 H new ATOM 0 HD13 ILE A 2 5.619 -1.601 -1.644 1.00 50.31 H new ATOM 27 N PRO A 3 5.189 4.217 -3.158 1.00 41.13 N ATOM 28 CA PRO A 3 5.090 5.109 -4.317 1.00 44.42 C ATOM 29 C PRO A 3 5.935 4.629 -5.492 1.00 43.22 C ATOM 30 O PRO A 3 6.628 3.615 -5.399 1.00 0.05 O ATOM 31 CB PRO A 3 5.623 6.442 -3.785 1.00 11.20 C ATOM 32 CG PRO A 3 6.524 6.068 -2.659 1.00 73.21 C ATOM 33 CD PRO A 3 5.924 4.834 -2.042 1.00 5.52 C ATOM 0 HA PRO A 3 4.072 5.164 -4.703 1.00 44.42 H new ATOM 0 HB2 PRO A 3 6.162 6.990 -4.558 1.00 11.20 H new ATOM 0 HB3 PRO A 3 4.811 7.086 -3.446 1.00 11.20 H new ATOM 0 HG2 PRO A 3 7.535 5.874 -3.016 1.00 73.21 H new ATOM 0 HG3 PRO A 3 6.593 6.875 -1.930 1.00 73.21 H new ATOM 0 HD2 PRO A 3 6.692 4.167 -1.649 1.00 5.52 H new ATOM 0 HD3 PRO A 3 5.262 5.081 -1.212 1.00 5.52 H new ATOM 41 N LEU A 4 5.874 5.363 -6.598 1.00 3.34 N ATOM 42 CA LEU A 4 6.635 5.012 -7.792 1.00 10.40 C ATOM 43 C LEU A 4 7.939 5.801 -7.858 1.00 61.31 C ATOM 44 O LEU A 4 8.462 6.066 -8.941 1.00 32.53 O ATOM 45 CB LEU A 4 5.802 5.277 -9.047 1.00 73.12 C ATOM 46 CG LEU A 4 4.284 5.206 -8.873 1.00 2.53 C ATOM 47 CD1 LEU A 4 3.580 5.588 -10.165 1.00 51.14 C ATOM 48 CD2 LEU A 4 3.863 3.815 -8.424 1.00 70.44 C ATOM 0 H LEU A 4 5.306 6.205 -6.693 1.00 3.34 H new ATOM 0 HA LEU A 4 6.876 3.950 -7.740 1.00 10.40 H new ATOM 0 HB2 LEU A 4 6.058 6.266 -9.427 1.00 73.12 H new ATOM 0 HB3 LEU A 4 6.094 4.557 -9.811 1.00 73.12 H new ATOM 0 HG LEU A 4 3.992 5.918 -8.101 1.00 2.53 H new ATOM 0 HD11 LEU A 4 2.501 5.532 -10.022 1.00 51.14 H new ATOM 0 HD12 LEU A 4 3.856 6.605 -10.443 1.00 51.14 H new ATOM 0 HD13 LEU A 4 3.877 4.902 -10.958 1.00 51.14 H new ATOM 0 HD21 LEU A 4 2.780 3.783 -8.305 1.00 70.44 H new ATOM 0 HD22 LEU A 4 4.168 3.083 -9.172 1.00 70.44 H new ATOM 0 HD23 LEU A 4 4.339 3.580 -7.472 1.00 70.44 H new ATOM 60 N SER A 5 8.461 6.171 -6.693 1.00 34.01 N ATOM 61 CA SER A 5 9.703 6.930 -6.618 1.00 42.33 C ATOM 62 C SER A 5 10.670 6.294 -5.624 1.00 14.45 C ATOM 63 O SER A 5 11.833 6.053 -5.940 1.00 65.22 O ATOM 64 CB SER A 5 9.418 8.378 -6.215 1.00 15.12 C ATOM 65 OG SER A 5 8.402 8.943 -7.026 1.00 65.15 O ATOM 0 H SER A 5 8.042 5.957 -5.788 1.00 34.01 H new ATOM 0 HA SER A 5 10.165 6.920 -7.605 1.00 42.33 H new ATOM 0 HB2 SER A 5 9.115 8.415 -5.169 1.00 15.12 H new ATOM 0 HB3 SER A 5 10.329 8.969 -6.304 1.00 15.12 H new ATOM 0 HG SER A 5 8.237 9.868 -6.747 1.00 65.15 H new ATOM 71 N ASN A 6 10.177 6.026 -4.419 1.00 11.04 N ATOM 72 CA ASN A 6 10.996 5.419 -3.376 1.00 31.31 C ATOM 73 C ASN A 6 11.714 4.179 -3.901 1.00 40.21 C ATOM 74 O ASN A 6 12.857 3.909 -3.532 1.00 45.24 O ATOM 75 CB ASN A 6 10.131 5.048 -2.170 1.00 34.11 C ATOM 76 CG ASN A 6 10.915 4.313 -1.100 1.00 34.21 C ATOM 77 OD1 ASN A 6 10.470 3.288 -0.583 1.00 12.05 O ATOM 78 ND2 ASN A 6 12.088 4.835 -0.763 1.00 63.30 N ATOM 0 H ASN A 6 9.215 6.220 -4.141 1.00 11.04 H new ATOM 0 HA ASN A 6 11.745 6.148 -3.067 1.00 31.31 H new ATOM 0 HB2 ASN A 6 9.700 5.954 -1.743 1.00 34.11 H new ATOM 0 HB3 ASN A 6 9.300 4.425 -2.500 1.00 34.11 H new ATOM 0 HD21 ASN A 6 12.660 4.385 -0.049 1.00 63.30 H new ATOM 0 HD22 ASN A 6 12.417 5.686 -1.218 1.00 63.30 H new ATOM 85 N ILE A 7 11.036 3.430 -4.764 1.00 14.23 N ATOM 86 CA ILE A 7 11.609 2.221 -5.341 1.00 23.24 C ATOM 87 C ILE A 7 12.705 2.558 -6.346 1.00 71.23 C ATOM 88 O ILE A 7 13.789 1.976 -6.316 1.00 13.14 O ATOM 89 CB ILE A 7 10.535 1.365 -6.037 1.00 32.33 C ATOM 90 CG1 ILE A 7 9.631 0.698 -4.998 1.00 31.13 C ATOM 91 CG2 ILE A 7 11.187 0.319 -6.929 1.00 32.23 C ATOM 92 CD1 ILE A 7 8.376 0.093 -5.588 1.00 24.43 C ATOM 0 H ILE A 7 10.089 3.640 -5.079 1.00 14.23 H new ATOM 0 HA ILE A 7 12.038 1.651 -4.517 1.00 23.24 H new ATOM 0 HB ILE A 7 9.922 2.015 -6.661 1.00 32.33 H new ATOM 0 HG12 ILE A 7 10.194 -0.082 -4.485 1.00 31.13 H new ATOM 0 HG13 ILE A 7 9.350 1.435 -4.246 1.00 31.13 H new ATOM 0 HG21 ILE A 7 10.415 -0.278 -7.414 1.00 32.23 H new ATOM 0 HG22 ILE A 7 11.793 0.814 -7.688 1.00 32.23 H new ATOM 0 HG23 ILE A 7 11.821 -0.330 -6.325 1.00 32.23 H new ATOM 0 HD11 ILE A 7 7.784 -0.362 -4.794 1.00 24.43 H new ATOM 0 HD12 ILE A 7 7.791 0.873 -6.076 1.00 24.43 H new ATOM 0 HD13 ILE A 7 8.648 -0.668 -6.319 1.00 24.43 H new ATOM 104 N GLU A 8 12.414 3.502 -7.236 1.00 4.45 N ATOM 105 CA GLU A 8 13.376 3.917 -8.250 1.00 1.41 C ATOM 106 C GLU A 8 14.652 4.450 -7.604 1.00 41.03 C ATOM 107 O GLU A 8 15.758 4.078 -7.994 1.00 44.21 O ATOM 108 CB GLU A 8 12.765 4.988 -9.156 1.00 71.14 C ATOM 109 CG GLU A 8 11.659 4.464 -10.057 1.00 32.12 C ATOM 110 CD GLU A 8 10.934 5.572 -10.796 1.00 65.03 C ATOM 111 OE1 GLU A 8 11.251 6.755 -10.550 1.00 24.43 O ATOM 112 OE2 GLU A 8 10.051 5.257 -11.621 1.00 2.13 O ATOM 0 H GLU A 8 11.521 3.993 -7.275 1.00 4.45 H new ATOM 0 HA GLU A 8 13.631 3.044 -8.851 1.00 1.41 H new ATOM 0 HB2 GLU A 8 12.367 5.792 -8.537 1.00 71.14 H new ATOM 0 HB3 GLU A 8 13.551 5.421 -9.774 1.00 71.14 H new ATOM 0 HG2 GLU A 8 12.084 3.768 -10.780 1.00 32.12 H new ATOM 0 HG3 GLU A 8 10.942 3.903 -9.457 1.00 32.12 H new ATOM 119 N GLU A 9 14.488 5.323 -6.615 1.00 41.35 N ATOM 120 CA GLU A 9 15.627 5.908 -5.917 1.00 14.10 C ATOM 121 C GLU A 9 16.420 4.835 -5.177 1.00 3.33 C ATOM 122 O GLU A 9 17.650 4.871 -5.143 1.00 4.05 O ATOM 123 CB GLU A 9 15.154 6.979 -4.932 1.00 13.12 C ATOM 124 CG GLU A 9 14.261 6.438 -3.827 1.00 41.53 C ATOM 125 CD GLU A 9 13.802 7.519 -2.867 1.00 72.43 C ATOM 126 OE1 GLU A 9 13.219 8.520 -3.334 1.00 65.41 O ATOM 127 OE2 GLU A 9 14.025 7.362 -1.648 1.00 52.04 O ATOM 0 H GLU A 9 13.579 5.640 -6.279 1.00 41.35 H new ATOM 0 HA GLU A 9 16.278 6.370 -6.659 1.00 14.10 H new ATOM 0 HB2 GLU A 9 16.024 7.457 -4.483 1.00 13.12 H new ATOM 0 HB3 GLU A 9 14.613 7.751 -5.480 1.00 13.12 H new ATOM 0 HG2 GLU A 9 13.389 5.958 -4.272 1.00 41.53 H new ATOM 0 HG3 GLU A 9 14.800 5.670 -3.273 1.00 41.53 H new ATOM 134 N ARG A 10 15.707 3.883 -4.585 1.00 21.21 N ATOM 135 CA ARG A 10 16.344 2.801 -3.844 1.00 33.24 C ATOM 136 C ARG A 10 17.122 1.883 -4.782 1.00 4.51 C ATOM 137 O ARG A 10 18.327 1.690 -4.620 1.00 4.32 O ATOM 138 CB ARG A 10 15.295 1.993 -3.078 1.00 33.35 C ATOM 139 CG ARG A 10 15.214 2.344 -1.601 1.00 22.01 C ATOM 140 CD ARG A 10 13.848 2.009 -1.022 1.00 65.32 C ATOM 141 NE ARG A 10 13.799 0.651 -0.486 1.00 45.11 N ATOM 142 CZ ARG A 10 12.753 0.155 0.164 1.00 53.00 C ATOM 143 NH1 ARG A 10 11.674 0.901 0.357 1.00 33.10 N ATOM 144 NH2 ARG A 10 12.784 -1.090 0.622 1.00 53.00 N ATOM 0 H ARG A 10 14.688 3.839 -4.604 1.00 21.21 H new ATOM 0 HA ARG A 10 17.043 3.243 -3.134 1.00 33.24 H new ATOM 0 HB2 ARG A 10 14.319 2.155 -3.535 1.00 33.35 H new ATOM 0 HB3 ARG A 10 15.522 0.932 -3.179 1.00 33.35 H new ATOM 0 HG2 ARG A 10 15.985 1.801 -1.054 1.00 22.01 H new ATOM 0 HG3 ARG A 10 15.416 3.407 -1.467 1.00 22.01 H new ATOM 0 HD2 ARG A 10 13.605 2.720 -0.232 1.00 65.32 H new ATOM 0 HD3 ARG A 10 13.089 2.121 -1.796 1.00 65.32 H new ATOM 0 HE ARG A 10 14.613 0.051 -0.618 1.00 45.11 H new ATOM 0 HH11 ARG A 10 11.646 1.858 0.006 1.00 33.10 H new ATOM 0 HH12 ARG A 10 10.872 0.518 0.857 1.00 33.10 H new ATOM 0 HH21 ARG A 10 13.612 -1.667 0.475 1.00 53.00 H new ATOM 0 HH22 ARG A 10 11.980 -1.470 1.121 1.00 53.00 H new ATOM 158 N VAL A 11 16.425 1.320 -5.764 1.00 4.03 N ATOM 159 CA VAL A 11 17.051 0.424 -6.728 1.00 71.44 C ATOM 160 C VAL A 11 18.322 1.037 -7.305 1.00 21.02 C ATOM 161 O VAL A 11 19.413 0.487 -7.155 1.00 45.20 O ATOM 162 CB VAL A 11 16.090 0.082 -7.883 1.00 12.24 C ATOM 163 CG1 VAL A 11 16.760 -0.854 -8.877 1.00 10.13 C ATOM 164 CG2 VAL A 11 14.806 -0.530 -7.343 1.00 22.31 C ATOM 0 H VAL A 11 15.427 1.469 -5.913 1.00 4.03 H new ATOM 0 HA VAL A 11 17.303 -0.490 -6.191 1.00 71.44 H new ATOM 0 HB VAL A 11 15.835 1.004 -8.405 1.00 12.24 H new ATOM 0 HG11 VAL A 11 16.066 -1.084 -9.685 1.00 10.13 H new ATOM 0 HG12 VAL A 11 17.648 -0.374 -9.287 1.00 10.13 H new ATOM 0 HG13 VAL A 11 17.047 -1.776 -8.372 1.00 10.13 H new ATOM 0 HG21 VAL A 11 14.139 -0.766 -8.172 1.00 22.31 H new ATOM 0 HG22 VAL A 11 15.040 -1.443 -6.795 1.00 22.31 H new ATOM 0 HG23 VAL A 11 14.318 0.179 -6.674 1.00 22.31 H new ATOM 174 N LYS A 12 18.174 2.181 -7.965 1.00 31.43 N ATOM 175 CA LYS A 12 19.310 2.872 -8.563 1.00 74.11 C ATOM 176 C LYS A 12 20.443 3.031 -7.554 1.00 54.44 C ATOM 177 O LYS A 12 21.602 2.748 -7.857 1.00 71.00 O ATOM 178 CB LYS A 12 18.880 4.245 -9.085 1.00 1.02 C ATOM 179 CG LYS A 12 17.892 4.176 -10.236 1.00 41.34 C ATOM 180 CD LYS A 12 18.451 3.380 -11.404 1.00 11.03 C ATOM 181 CE LYS A 12 17.706 3.686 -12.694 1.00 70.52 C ATOM 182 NZ LYS A 12 16.237 3.487 -12.547 1.00 44.32 N ATOM 0 H LYS A 12 17.278 2.649 -8.099 1.00 31.43 H new ATOM 0 HA LYS A 12 19.672 2.270 -9.397 1.00 74.11 H new ATOM 0 HB2 LYS A 12 18.434 4.812 -8.268 1.00 1.02 H new ATOM 0 HB3 LYS A 12 19.764 4.795 -9.408 1.00 1.02 H new ATOM 0 HG2 LYS A 12 16.964 3.718 -9.893 1.00 41.34 H new ATOM 0 HG3 LYS A 12 17.646 5.185 -10.567 1.00 41.34 H new ATOM 0 HD2 LYS A 12 19.509 3.611 -11.530 1.00 11.03 H new ATOM 0 HD3 LYS A 12 18.381 2.314 -11.186 1.00 11.03 H new ATOM 0 HE2 LYS A 12 17.905 4.715 -12.993 1.00 70.52 H new ATOM 0 HE3 LYS A 12 18.081 3.044 -13.491 1.00 70.52 H new ATOM 0 HZ1 LYS A 12 15.800 3.421 -13.488 1.00 44.32 H new ATOM 0 HZ2 LYS A 12 16.057 2.609 -12.019 1.00 44.32 H new ATOM 0 HZ3 LYS A 12 15.828 4.292 -12.031 1.00 44.32 H new ATOM 196 N LYS A 13 20.100 3.485 -6.354 1.00 10.44 N ATOM 197 CA LYS A 13 21.087 3.680 -5.298 1.00 42.03 C ATOM 198 C LYS A 13 21.966 2.443 -5.140 1.00 54.11 C ATOM 199 O LYS A 13 23.188 2.519 -5.266 1.00 22.33 O ATOM 200 CB LYS A 13 20.391 3.997 -3.973 1.00 3.32 C ATOM 201 CG LYS A 13 21.350 4.383 -2.860 1.00 30.25 C ATOM 202 CD LYS A 13 20.634 5.112 -1.735 1.00 22.43 C ATOM 203 CE LYS A 13 19.683 4.188 -0.989 1.00 1.33 C ATOM 204 NZ LYS A 13 19.534 4.582 0.440 1.00 64.12 N ATOM 0 H LYS A 13 19.145 3.725 -6.088 1.00 10.44 H new ATOM 0 HA LYS A 13 21.721 4.521 -5.578 1.00 42.03 H new ATOM 0 HB2 LYS A 13 19.683 4.811 -4.130 1.00 3.32 H new ATOM 0 HB3 LYS A 13 19.813 3.128 -3.658 1.00 3.32 H new ATOM 0 HG2 LYS A 13 21.831 3.488 -2.466 1.00 30.25 H new ATOM 0 HG3 LYS A 13 22.139 5.018 -3.262 1.00 30.25 H new ATOM 0 HD2 LYS A 13 21.367 5.520 -1.039 1.00 22.43 H new ATOM 0 HD3 LYS A 13 20.078 5.956 -2.143 1.00 22.43 H new ATOM 0 HE2 LYS A 13 18.707 4.203 -1.474 1.00 1.33 H new ATOM 0 HE3 LYS A 13 20.052 3.164 -1.047 1.00 1.33 H new ATOM 0 HZ1 LYS A 13 18.878 3.928 0.914 1.00 64.12 H new ATOM 0 HZ2 LYS A 13 20.461 4.543 0.909 1.00 64.12 H new ATOM 0 HZ3 LYS A 13 19.158 5.550 0.496 1.00 64.12 H new ATOM 218 N ILE A 14 21.335 1.306 -4.866 1.00 12.34 N ATOM 219 CA ILE A 14 22.060 0.053 -4.693 1.00 54.53 C ATOM 220 C ILE A 14 22.979 -0.217 -5.880 1.00 32.55 C ATOM 221 O ILE A 14 24.188 -0.386 -5.715 1.00 55.52 O ATOM 222 CB ILE A 14 21.096 -1.136 -4.523 1.00 52.30 C ATOM 223 CG1 ILE A 14 20.164 -0.899 -3.333 1.00 11.51 C ATOM 224 CG2 ILE A 14 21.877 -2.429 -4.342 1.00 12.32 C ATOM 225 CD1 ILE A 14 18.696 -1.009 -3.683 1.00 45.01 C ATOM 0 H ILE A 14 20.324 1.227 -4.759 1.00 12.34 H new ATOM 0 HA ILE A 14 22.659 0.156 -3.788 1.00 54.53 H new ATOM 0 HB ILE A 14 20.489 -1.224 -5.424 1.00 52.30 H new ATOM 0 HG12 ILE A 14 20.397 -1.620 -2.550 1.00 11.51 H new ATOM 0 HG13 ILE A 14 20.358 0.092 -2.922 1.00 11.51 H new ATOM 0 HG21 ILE A 14 21.182 -3.260 -4.223 1.00 12.32 H new ATOM 0 HG22 ILE A 14 22.503 -2.602 -5.218 1.00 12.32 H new ATOM 0 HG23 ILE A 14 22.507 -2.353 -3.455 1.00 12.32 H new ATOM 0 HD11 ILE A 14 18.095 -0.829 -2.792 1.00 45.01 H new ATOM 0 HD12 ILE A 14 18.447 -0.269 -4.444 1.00 45.01 H new ATOM 0 HD13 ILE A 14 18.487 -2.008 -4.066 1.00 45.01 H new ATOM 237 N ILE A 15 22.398 -0.257 -7.074 1.00 1.20 N ATOM 238 CA ILE A 15 23.166 -0.504 -8.288 1.00 73.22 C ATOM 239 C ILE A 15 24.336 0.467 -8.406 1.00 73.43 C ATOM 240 O ILE A 15 25.394 0.119 -8.930 1.00 3.12 O ATOM 241 CB ILE A 15 22.284 -0.384 -9.546 1.00 5.15 C ATOM 242 CG1 ILE A 15 21.425 -1.639 -9.715 1.00 2.43 C ATOM 243 CG2 ILE A 15 23.148 -0.156 -10.777 1.00 73.55 C ATOM 244 CD1 ILE A 15 20.044 -1.511 -9.112 1.00 11.34 C ATOM 0 H ILE A 15 21.399 -0.122 -7.227 1.00 1.20 H new ATOM 0 HA ILE A 15 23.548 -1.522 -8.218 1.00 73.22 H new ATOM 0 HB ILE A 15 21.621 0.473 -9.428 1.00 5.15 H new ATOM 0 HG12 ILE A 15 21.329 -1.864 -10.777 1.00 2.43 H new ATOM 0 HG13 ILE A 15 21.937 -2.484 -9.255 1.00 2.43 H new ATOM 0 HG21 ILE A 15 22.512 -0.073 -11.658 1.00 73.55 H new ATOM 0 HG22 ILE A 15 23.720 0.764 -10.655 1.00 73.55 H new ATOM 0 HG23 ILE A 15 23.833 -0.995 -10.902 1.00 73.55 H new ATOM 0 HD11 ILE A 15 19.491 -2.437 -9.269 1.00 11.34 H new ATOM 0 HD12 ILE A 15 20.130 -1.317 -8.043 1.00 11.34 H new ATOM 0 HD13 ILE A 15 19.514 -0.687 -9.589 1.00 11.34 H new ATOM 256 N VAL A 16 24.138 1.686 -7.914 1.00 61.43 N ATOM 257 CA VAL A 16 25.178 2.707 -7.962 1.00 33.24 C ATOM 258 C VAL A 16 26.258 2.440 -6.920 1.00 22.22 C ATOM 259 O VAL A 16 27.411 2.835 -7.092 1.00 13.11 O ATOM 260 CB VAL A 16 24.594 4.113 -7.731 1.00 13.23 C ATOM 261 CG1 VAL A 16 25.709 5.138 -7.591 1.00 11.20 C ATOM 262 CG2 VAL A 16 23.650 4.490 -8.863 1.00 4.41 C ATOM 0 H VAL A 16 23.268 1.990 -7.478 1.00 61.43 H new ATOM 0 HA VAL A 16 25.619 2.664 -8.958 1.00 33.24 H new ATOM 0 HB VAL A 16 24.024 4.103 -6.802 1.00 13.23 H new ATOM 0 HG11 VAL A 16 25.277 6.125 -7.428 1.00 11.20 H new ATOM 0 HG12 VAL A 16 26.341 4.874 -6.743 1.00 11.20 H new ATOM 0 HG13 VAL A 16 26.309 5.150 -8.501 1.00 11.20 H new ATOM 0 HG21 VAL A 16 23.246 5.487 -8.684 1.00 4.41 H new ATOM 0 HG22 VAL A 16 24.194 4.483 -9.808 1.00 4.41 H new ATOM 0 HG23 VAL A 16 22.833 3.771 -8.910 1.00 4.41 H new ATOM 272 N GLU A 17 25.877 1.766 -5.839 1.00 61.21 N ATOM 273 CA GLU A 17 26.815 1.446 -4.769 1.00 14.21 C ATOM 274 C GLU A 17 27.662 0.231 -5.133 1.00 62.31 C ATOM 275 O GLU A 17 28.789 0.084 -4.661 1.00 31.45 O ATOM 276 CB GLU A 17 26.062 1.184 -3.463 1.00 11.12 C ATOM 277 CG GLU A 17 25.623 2.451 -2.749 1.00 14.24 C ATOM 278 CD GLU A 17 26.793 3.307 -2.306 1.00 44.45 C ATOM 279 OE1 GLU A 17 27.388 3.000 -1.252 1.00 73.30 O ATOM 280 OE2 GLU A 17 27.115 4.285 -3.014 1.00 61.30 O ATOM 0 H GLU A 17 24.926 1.431 -5.681 1.00 61.21 H new ATOM 0 HA GLU A 17 27.477 2.301 -4.633 1.00 14.21 H new ATOM 0 HB2 GLU A 17 25.184 0.574 -3.676 1.00 11.12 H new ATOM 0 HB3 GLU A 17 26.699 0.603 -2.796 1.00 11.12 H new ATOM 0 HG2 GLU A 17 24.982 3.033 -3.411 1.00 14.24 H new ATOM 0 HG3 GLU A 17 25.023 2.184 -1.879 1.00 14.24 H new ATOM 287 N GLN A 18 27.111 -0.637 -5.976 1.00 13.05 N ATOM 288 CA GLN A 18 27.815 -1.840 -6.402 1.00 23.21 C ATOM 289 C GLN A 18 28.760 -1.536 -7.560 1.00 21.31 C ATOM 290 O GLN A 18 29.972 -1.728 -7.453 1.00 2.22 O ATOM 291 CB GLN A 18 26.816 -2.923 -6.814 1.00 2.30 C ATOM 292 CG GLN A 18 26.152 -3.617 -5.636 1.00 75.24 C ATOM 293 CD GLN A 18 24.732 -4.054 -5.942 1.00 2.45 C ATOM 294 OE1 GLN A 18 24.365 -5.209 -5.723 1.00 40.52 O ATOM 295 NE2 GLN A 18 23.925 -3.130 -6.449 1.00 53.24 N ATOM 0 H GLN A 18 26.179 -0.529 -6.377 1.00 13.05 H new ATOM 0 HA GLN A 18 28.405 -2.202 -5.560 1.00 23.21 H new ATOM 0 HB2 GLN A 18 26.046 -2.475 -7.443 1.00 2.30 H new ATOM 0 HB3 GLN A 18 27.330 -3.668 -7.421 1.00 2.30 H new ATOM 0 HG2 GLN A 18 26.743 -4.488 -5.352 1.00 75.24 H new ATOM 0 HG3 GLN A 18 26.144 -2.943 -4.779 1.00 75.24 H new ATOM 0 HE21 GLN A 18 24.272 -2.185 -6.614 1.00 53.24 H new ATOM 0 HE22 GLN A 18 22.958 -3.365 -6.673 1.00 53.24 H new ATOM 304 N LEU A 19 28.198 -1.062 -8.666 1.00 63.13 N ATOM 305 CA LEU A 19 28.991 -0.732 -9.846 1.00 12.43 C ATOM 306 C LEU A 19 29.843 0.509 -9.599 1.00 12.30 C ATOM 307 O LEU A 19 30.914 0.666 -10.184 1.00 32.24 O ATOM 308 CB LEU A 19 28.077 -0.505 -11.051 1.00 60.34 C ATOM 309 CG LEU A 19 27.318 -1.732 -11.558 1.00 62.42 C ATOM 310 CD1 LEU A 19 26.530 -1.392 -12.813 1.00 52.32 C ATOM 311 CD2 LEU A 19 28.280 -2.881 -11.826 1.00 32.25 C ATOM 0 H LEU A 19 27.197 -0.897 -8.771 1.00 63.13 H new ATOM 0 HA LEU A 19 29.655 -1.571 -10.054 1.00 12.43 H new ATOM 0 HB2 LEU A 19 27.351 0.265 -10.791 1.00 60.34 H new ATOM 0 HB3 LEU A 19 28.679 -0.111 -11.870 1.00 60.34 H new ATOM 0 HG LEU A 19 26.615 -2.045 -10.786 1.00 62.42 H new ATOM 0 HD11 LEU A 19 25.997 -2.277 -13.159 1.00 52.32 H new ATOM 0 HD12 LEU A 19 25.814 -0.601 -12.590 1.00 52.32 H new ATOM 0 HD13 LEU A 19 27.214 -1.053 -13.591 1.00 52.32 H new ATOM 0 HD21 LEU A 19 27.723 -3.746 -12.186 1.00 32.25 H new ATOM 0 HD22 LEU A 19 29.007 -2.579 -12.580 1.00 32.25 H new ATOM 0 HD23 LEU A 19 28.800 -3.143 -10.904 1.00 32.25 H new ATOM 323 N GLY A 20 29.360 1.389 -8.727 1.00 34.03 N ATOM 324 CA GLY A 20 30.090 2.604 -8.416 1.00 64.31 C ATOM 325 C GLY A 20 30.065 3.603 -9.556 1.00 10.04 C ATOM 326 O GLY A 20 30.849 4.552 -9.577 1.00 24.42 O ATOM 0 H GLY A 20 28.476 1.282 -8.230 1.00 34.03 H new ATOM 0 HA2 GLY A 20 29.662 3.063 -7.525 1.00 64.31 H new ATOM 0 HA3 GLY A 20 31.124 2.353 -8.180 1.00 64.31 H new ATOM 330 N VAL A 21 29.162 3.390 -10.507 1.00 51.05 N ATOM 331 CA VAL A 21 29.038 4.279 -11.656 1.00 54.32 C ATOM 332 C VAL A 21 28.034 5.394 -11.382 1.00 44.02 C ATOM 333 O VAL A 21 27.448 5.463 -10.302 1.00 54.52 O ATOM 334 CB VAL A 21 28.602 3.510 -12.917 1.00 73.31 C ATOM 335 CG1 VAL A 21 29.615 2.429 -13.261 1.00 24.15 C ATOM 336 CG2 VAL A 21 27.217 2.911 -12.723 1.00 72.11 C ATOM 0 H VAL A 21 28.505 2.610 -10.505 1.00 51.05 H new ATOM 0 HA VAL A 21 30.023 4.714 -11.827 1.00 54.32 H new ATOM 0 HB VAL A 21 28.557 4.211 -13.751 1.00 73.31 H new ATOM 0 HG11 VAL A 21 29.290 1.897 -14.155 1.00 24.15 H new ATOM 0 HG12 VAL A 21 30.587 2.887 -13.445 1.00 24.15 H new ATOM 0 HG13 VAL A 21 29.695 1.728 -12.430 1.00 24.15 H new ATOM 0 HG21 VAL A 21 26.925 2.371 -13.624 1.00 72.11 H new ATOM 0 HG22 VAL A 21 27.233 2.224 -11.877 1.00 72.11 H new ATOM 0 HG23 VAL A 21 26.500 3.708 -12.529 1.00 72.11 H new ATOM 346 N ASP A 22 27.842 6.264 -12.367 1.00 40.33 N ATOM 347 CA ASP A 22 26.908 7.376 -12.234 1.00 11.24 C ATOM 348 C ASP A 22 25.469 6.902 -12.413 1.00 22.21 C ATOM 349 O ASP A 22 25.144 6.233 -13.393 1.00 43.14 O ATOM 350 CB ASP A 22 27.230 8.466 -13.257 1.00 11.41 C ATOM 351 CG ASP A 22 28.470 9.258 -12.889 1.00 72.53 C ATOM 352 OD1 ASP A 22 28.858 9.235 -11.702 1.00 41.13 O ATOM 353 OD2 ASP A 22 29.052 9.898 -13.789 1.00 4.44 O ATOM 0 H ASP A 22 28.321 6.221 -13.267 1.00 40.33 H new ATOM 0 HA ASP A 22 27.013 7.788 -11.230 1.00 11.24 H new ATOM 0 HB2 ASP A 22 27.371 8.010 -14.237 1.00 11.41 H new ATOM 0 HB3 ASP A 22 26.381 9.144 -13.340 1.00 11.41 H new ATOM 358 N GLU A 23 24.613 7.252 -11.459 1.00 34.15 N ATOM 359 CA GLU A 23 23.209 6.860 -11.511 1.00 61.32 C ATOM 360 C GLU A 23 22.585 7.249 -12.848 1.00 63.24 C ATOM 361 O GLU A 23 21.658 6.596 -13.326 1.00 62.42 O ATOM 362 CB GLU A 23 22.432 7.510 -10.365 1.00 34.42 C ATOM 363 CG GLU A 23 22.330 9.021 -10.479 1.00 14.43 C ATOM 364 CD GLU A 23 22.006 9.686 -9.155 1.00 32.45 C ATOM 365 OE1 GLU A 23 21.631 8.966 -8.205 1.00 55.44 O ATOM 366 OE2 GLU A 23 22.128 10.926 -9.068 1.00 23.50 O ATOM 0 H GLU A 23 24.866 7.806 -10.641 1.00 34.15 H new ATOM 0 HA GLU A 23 23.157 5.776 -11.407 1.00 61.32 H new ATOM 0 HB2 GLU A 23 21.428 7.088 -10.333 1.00 34.42 H new ATOM 0 HB3 GLU A 23 22.914 7.257 -9.421 1.00 34.42 H new ATOM 0 HG2 GLU A 23 23.272 9.417 -10.859 1.00 14.43 H new ATOM 0 HG3 GLU A 23 21.560 9.275 -11.207 1.00 14.43 H new ATOM 373 N ALA A 24 23.101 8.318 -13.446 1.00 72.24 N ATOM 374 CA ALA A 24 22.596 8.794 -14.728 1.00 62.33 C ATOM 375 C ALA A 24 22.866 7.780 -15.835 1.00 60.11 C ATOM 376 O ALA A 24 21.998 7.506 -16.663 1.00 33.24 O ATOM 377 CB ALA A 24 23.222 10.137 -15.076 1.00 75.51 C ATOM 0 H ALA A 24 23.868 8.871 -13.063 1.00 72.24 H new ATOM 0 HA ALA A 24 21.517 8.920 -14.641 1.00 62.33 H new ATOM 0 HB1 ALA A 24 22.836 10.481 -16.036 1.00 75.51 H new ATOM 0 HB2 ALA A 24 22.974 10.865 -14.304 1.00 75.51 H new ATOM 0 HB3 ALA A 24 24.305 10.028 -15.138 1.00 75.51 H new ATOM 383 N GLU A 25 24.075 7.227 -15.843 1.00 42.54 N ATOM 384 CA GLU A 25 24.458 6.245 -16.850 1.00 44.05 C ATOM 385 C GLU A 25 23.519 5.043 -16.823 1.00 55.14 C ATOM 386 O GLU A 25 22.973 4.644 -17.852 1.00 41.14 O ATOM 387 CB GLU A 25 25.900 5.784 -16.623 1.00 52.41 C ATOM 388 CG GLU A 25 26.932 6.639 -17.340 1.00 31.51 C ATOM 389 CD GLU A 25 28.204 5.875 -17.655 1.00 12.13 C ATOM 390 OE1 GLU A 25 28.834 5.359 -16.709 1.00 25.45 O ATOM 391 OE2 GLU A 25 28.568 5.794 -18.846 1.00 44.42 O ATOM 0 H GLU A 25 24.805 7.442 -15.164 1.00 42.54 H new ATOM 0 HA GLU A 25 24.385 6.720 -17.829 1.00 44.05 H new ATOM 0 HB2 GLU A 25 26.112 5.794 -15.554 1.00 52.41 H new ATOM 0 HB3 GLU A 25 26.000 4.752 -16.958 1.00 52.41 H new ATOM 0 HG2 GLU A 25 26.502 7.020 -18.266 1.00 31.51 H new ATOM 0 HG3 GLU A 25 27.175 7.503 -16.722 1.00 31.51 H new ATOM 398 N VAL A 26 23.335 4.470 -15.638 1.00 75.23 N ATOM 399 CA VAL A 26 22.461 3.314 -15.476 1.00 32.13 C ATOM 400 C VAL A 26 21.087 3.574 -16.082 1.00 55.22 C ATOM 401 O VAL A 26 20.280 4.320 -15.525 1.00 24.51 O ATOM 402 CB VAL A 26 22.292 2.942 -13.991 1.00 3.35 C ATOM 403 CG1 VAL A 26 21.417 1.707 -13.845 1.00 61.20 C ATOM 404 CG2 VAL A 26 23.650 2.724 -13.339 1.00 74.11 C ATOM 0 H VAL A 26 23.779 4.787 -14.776 1.00 75.23 H new ATOM 0 HA VAL A 26 22.935 2.484 -16.000 1.00 32.13 H new ATOM 0 HB VAL A 26 21.798 3.769 -13.481 1.00 3.35 H new ATOM 0 HG11 VAL A 26 21.309 1.460 -12.789 1.00 61.20 H new ATOM 0 HG12 VAL A 26 20.434 1.905 -14.273 1.00 61.20 H new ATOM 0 HG13 VAL A 26 21.879 0.870 -14.368 1.00 61.20 H new ATOM 0 HG21 VAL A 26 23.512 2.462 -12.290 1.00 74.11 H new ATOM 0 HG22 VAL A 26 24.173 1.915 -13.849 1.00 74.11 H new ATOM 0 HG23 VAL A 26 24.239 3.639 -13.410 1.00 74.11 H new ATOM 414 N LYS A 27 20.825 2.955 -17.228 1.00 34.50 N ATOM 415 CA LYS A 27 19.547 3.117 -17.911 1.00 72.53 C ATOM 416 C LYS A 27 18.592 1.981 -17.556 1.00 40.30 C ATOM 417 O LYS A 27 19.008 0.834 -17.402 1.00 33.23 O ATOM 418 CB LYS A 27 19.758 3.164 -19.426 1.00 52.43 C ATOM 419 CG LYS A 27 20.153 4.537 -19.942 1.00 53.24 C ATOM 420 CD LYS A 27 20.221 4.564 -21.460 1.00 63.01 C ATOM 421 CE LYS A 27 20.565 5.952 -21.978 1.00 55.21 C ATOM 422 NZ LYS A 27 21.824 6.473 -21.378 1.00 20.43 N ATOM 0 H LYS A 27 21.481 2.336 -17.704 1.00 34.50 H new ATOM 0 HA LYS A 27 19.104 4.057 -17.582 1.00 72.53 H new ATOM 0 HB2 LYS A 27 20.531 2.446 -19.699 1.00 52.43 H new ATOM 0 HB3 LYS A 27 18.840 2.849 -19.922 1.00 52.43 H new ATOM 0 HG2 LYS A 27 19.432 5.278 -19.596 1.00 53.24 H new ATOM 0 HG3 LYS A 27 21.122 4.817 -19.528 1.00 53.24 H new ATOM 0 HD2 LYS A 27 20.969 3.850 -21.804 1.00 63.01 H new ATOM 0 HD3 LYS A 27 19.264 4.247 -21.874 1.00 63.01 H new ATOM 0 HE2 LYS A 27 20.666 5.920 -23.063 1.00 55.21 H new ATOM 0 HE3 LYS A 27 19.746 6.636 -21.754 1.00 55.21 H new ATOM 0 HZ1 LYS A 27 22.141 7.310 -21.908 1.00 20.43 H new ATOM 0 HZ2 LYS A 27 21.653 6.736 -20.386 1.00 20.43 H new ATOM 0 HZ3 LYS A 27 22.559 5.738 -21.420 1.00 20.43 H new ATOM 436 N ASN A 28 17.310 2.310 -17.429 1.00 64.21 N ATOM 437 CA ASN A 28 16.297 1.317 -17.093 1.00 35.10 C ATOM 438 C ASN A 28 16.190 0.257 -18.185 1.00 53.24 C ATOM 439 O ASN A 28 15.840 -0.891 -17.917 1.00 31.53 O ATOM 440 CB ASN A 28 14.939 1.993 -16.888 1.00 23.31 C ATOM 441 CG ASN A 28 14.586 2.147 -15.421 1.00 41.22 C ATOM 442 OD1 ASN A 28 14.635 3.248 -14.872 1.00 52.12 O ATOM 443 ND2 ASN A 28 14.228 1.041 -14.779 1.00 43.23 N ATOM 0 H ASN A 28 16.949 3.256 -17.554 1.00 64.21 H new ATOM 0 HA ASN A 28 16.597 0.828 -16.166 1.00 35.10 H new ATOM 0 HB2 ASN A 28 14.950 2.975 -17.361 1.00 23.31 H new ATOM 0 HB3 ASN A 28 14.166 1.408 -17.386 1.00 23.31 H new ATOM 0 HD21 ASN A 28 13.980 1.083 -13.791 1.00 43.23 H new ATOM 0 HD22 ASN A 28 14.201 0.150 -15.274 1.00 43.23 H new ATOM 450 N GLU A 29 16.494 0.652 -19.418 1.00 1.54 N ATOM 451 CA GLU A 29 16.432 -0.264 -20.550 1.00 51.33 C ATOM 452 C GLU A 29 17.816 -0.814 -20.881 1.00 60.35 C ATOM 453 O GLU A 29 18.107 -1.139 -22.032 1.00 64.01 O ATOM 454 CB GLU A 29 15.846 0.443 -21.774 1.00 74.45 C ATOM 455 CG GLU A 29 14.482 1.065 -21.523 1.00 64.14 C ATOM 456 CD GLU A 29 13.690 1.268 -22.800 1.00 52.21 C ATOM 457 OE1 GLU A 29 13.556 0.298 -23.575 1.00 42.34 O ATOM 458 OE2 GLU A 29 13.204 2.396 -23.024 1.00 52.40 O ATOM 0 H GLU A 29 16.785 1.600 -19.657 1.00 1.54 H new ATOM 0 HA GLU A 29 15.785 -1.097 -20.276 1.00 51.33 H new ATOM 0 HB2 GLU A 29 16.537 1.221 -22.099 1.00 74.45 H new ATOM 0 HB3 GLU A 29 15.765 -0.273 -22.592 1.00 74.45 H new ATOM 0 HG2 GLU A 29 13.915 0.427 -20.846 1.00 64.14 H new ATOM 0 HG3 GLU A 29 14.611 2.025 -21.023 1.00 64.14 H new ATOM 465 N ALA A 30 18.665 -0.915 -19.864 1.00 60.50 N ATOM 466 CA ALA A 30 20.018 -1.428 -20.046 1.00 14.42 C ATOM 467 C ALA A 30 20.239 -2.696 -19.229 1.00 75.44 C ATOM 468 O ALA A 30 19.757 -2.813 -18.103 1.00 12.34 O ATOM 469 CB ALA A 30 21.039 -0.367 -19.663 1.00 43.03 C ATOM 0 H ALA A 30 18.440 -0.649 -18.905 1.00 60.50 H new ATOM 0 HA ALA A 30 20.147 -1.679 -21.099 1.00 14.42 H new ATOM 0 HB1 ALA A 30 22.045 -0.763 -19.803 1.00 43.03 H new ATOM 0 HB2 ALA A 30 20.904 0.512 -20.293 1.00 43.03 H new ATOM 0 HB3 ALA A 30 20.901 -0.090 -18.618 1.00 43.03 H new ATOM 475 N SER A 31 20.969 -3.646 -19.805 1.00 42.45 N ATOM 476 CA SER A 31 21.250 -4.908 -19.133 1.00 20.45 C ATOM 477 C SER A 31 22.537 -4.816 -18.318 1.00 52.42 C ATOM 478 O SER A 31 23.311 -3.869 -18.464 1.00 74.11 O ATOM 479 CB SER A 31 21.360 -6.042 -20.154 1.00 43.34 C ATOM 480 OG SER A 31 21.326 -7.307 -19.518 1.00 20.31 O ATOM 0 H SER A 31 21.377 -3.565 -20.736 1.00 42.45 H new ATOM 0 HA SER A 31 20.424 -5.120 -18.454 1.00 20.45 H new ATOM 0 HB2 SER A 31 20.542 -5.970 -20.871 1.00 43.34 H new ATOM 0 HB3 SER A 31 22.288 -5.940 -20.717 1.00 43.34 H new ATOM 0 HG SER A 31 20.675 -7.883 -19.970 1.00 20.31 H new ATOM 486 N PHE A 32 22.759 -5.805 -17.460 1.00 30.52 N ATOM 487 CA PHE A 32 23.951 -5.836 -16.621 1.00 21.45 C ATOM 488 C PHE A 32 25.129 -6.451 -17.371 1.00 72.20 C ATOM 489 O PHE A 32 26.286 -6.118 -17.114 1.00 53.30 O ATOM 490 CB PHE A 32 23.679 -6.628 -15.340 1.00 34.11 C ATOM 491 CG PHE A 32 22.391 -6.252 -14.665 1.00 54.30 C ATOM 492 CD1 PHE A 32 21.962 -4.934 -14.647 1.00 74.43 C ATOM 493 CD2 PHE A 32 21.609 -7.215 -14.048 1.00 22.22 C ATOM 494 CE1 PHE A 32 20.777 -4.585 -14.028 1.00 14.45 C ATOM 495 CE2 PHE A 32 20.423 -6.872 -13.427 1.00 3.51 C ATOM 496 CZ PHE A 32 20.007 -5.555 -13.416 1.00 1.54 C ATOM 0 H PHE A 32 22.129 -6.596 -17.327 1.00 30.52 H new ATOM 0 HA PHE A 32 24.206 -4.809 -16.358 1.00 21.45 H new ATOM 0 HB2 PHE A 32 23.659 -7.692 -15.577 1.00 34.11 H new ATOM 0 HB3 PHE A 32 24.503 -6.473 -14.644 1.00 34.11 H new ATOM 0 HD1 PHE A 32 22.561 -4.171 -15.122 1.00 74.43 H new ATOM 0 HD2 PHE A 32 21.930 -8.246 -14.052 1.00 22.22 H new ATOM 0 HE1 PHE A 32 20.453 -3.555 -14.023 1.00 14.45 H new ATOM 0 HE2 PHE A 32 19.822 -7.633 -12.951 1.00 3.51 H new ATOM 0 HZ PHE A 32 19.081 -5.284 -12.930 1.00 1.54 H new ATOM 506 N VAL A 33 24.825 -7.352 -18.300 1.00 64.12 N ATOM 507 CA VAL A 33 25.858 -8.014 -19.089 1.00 74.01 C ATOM 508 C VAL A 33 25.655 -7.764 -20.579 1.00 71.34 C ATOM 509 O VAL A 33 26.618 -7.688 -21.343 1.00 74.31 O ATOM 510 CB VAL A 33 25.873 -9.533 -18.832 1.00 3.52 C ATOM 511 CG1 VAL A 33 26.494 -9.838 -17.477 1.00 34.30 C ATOM 512 CG2 VAL A 33 24.466 -10.103 -18.924 1.00 10.31 C ATOM 0 H VAL A 33 23.873 -7.640 -18.525 1.00 64.12 H new ATOM 0 HA VAL A 33 26.814 -7.591 -18.779 1.00 74.01 H new ATOM 0 HB VAL A 33 26.483 -10.009 -19.600 1.00 3.52 H new ATOM 0 HG11 VAL A 33 26.496 -10.915 -17.312 1.00 34.30 H new ATOM 0 HG12 VAL A 33 27.518 -9.465 -17.454 1.00 34.30 H new ATOM 0 HG13 VAL A 33 25.913 -9.352 -16.693 1.00 34.30 H new ATOM 0 HG21 VAL A 33 24.496 -11.177 -18.740 1.00 10.31 H new ATOM 0 HG22 VAL A 33 23.830 -9.625 -18.179 1.00 10.31 H new ATOM 0 HG23 VAL A 33 24.062 -9.917 -19.919 1.00 10.31 H new ATOM 522 N ASP A 34 24.397 -7.637 -20.986 1.00 52.14 N ATOM 523 CA ASP A 34 24.067 -7.394 -22.386 1.00 11.20 C ATOM 524 C ASP A 34 24.426 -5.967 -22.789 1.00 14.11 C ATOM 525 O ASP A 34 24.706 -5.693 -23.956 1.00 5.22 O ATOM 526 CB ASP A 34 22.579 -7.648 -22.633 1.00 21.11 C ATOM 527 CG ASP A 34 22.326 -8.386 -23.933 1.00 32.23 C ATOM 528 OD1 ASP A 34 23.125 -8.216 -24.877 1.00 62.44 O ATOM 529 OD2 ASP A 34 21.329 -9.134 -24.005 1.00 72.31 O ATOM 0 H ASP A 34 23.589 -7.698 -20.367 1.00 52.14 H new ATOM 0 HA ASP A 34 24.651 -8.083 -22.996 1.00 11.20 H new ATOM 0 HB2 ASP A 34 22.170 -8.226 -21.805 1.00 21.11 H new ATOM 0 HB3 ASP A 34 22.049 -6.696 -22.650 1.00 21.11 H new ATOM 534 N ASP A 35 24.413 -5.062 -21.816 1.00 71.22 N ATOM 535 CA ASP A 35 24.737 -3.663 -22.069 1.00 52.02 C ATOM 536 C ASP A 35 26.028 -3.267 -21.360 1.00 20.32 C ATOM 537 O ASP A 35 27.074 -3.115 -21.992 1.00 4.45 O ATOM 538 CB ASP A 35 23.591 -2.761 -21.609 1.00 55.24 C ATOM 539 CG ASP A 35 23.882 -1.291 -21.840 1.00 23.11 C ATOM 540 OD1 ASP A 35 24.696 -0.721 -21.082 1.00 72.43 O ATOM 541 OD2 ASP A 35 23.298 -0.711 -22.778 1.00 50.33 O ATOM 0 H ASP A 35 24.182 -5.272 -20.845 1.00 71.22 H new ATOM 0 HA ASP A 35 24.880 -3.537 -23.142 1.00 52.02 H new ATOM 0 HB2 ASP A 35 22.680 -3.036 -22.141 1.00 55.24 H new ATOM 0 HB3 ASP A 35 23.404 -2.929 -20.548 1.00 55.24 H new ATOM 546 N LEU A 36 25.947 -3.101 -20.044 1.00 62.53 N ATOM 547 CA LEU A 36 27.109 -2.722 -19.248 1.00 63.21 C ATOM 548 C LEU A 36 28.258 -3.704 -19.459 1.00 13.30 C ATOM 549 O LEU A 36 29.426 -3.349 -19.310 1.00 43.13 O ATOM 550 CB LEU A 36 26.739 -2.664 -17.765 1.00 40.21 C ATOM 551 CG LEU A 36 25.511 -1.824 -17.412 1.00 74.45 C ATOM 552 CD1 LEU A 36 25.052 -2.119 -15.993 1.00 4.04 C ATOM 553 CD2 LEU A 36 25.811 -0.342 -17.581 1.00 62.22 C ATOM 0 H LEU A 36 25.089 -3.223 -19.506 1.00 62.53 H new ATOM 0 HA LEU A 36 27.435 -1.734 -19.574 1.00 63.21 H new ATOM 0 HB2 LEU A 36 26.572 -3.682 -17.413 1.00 40.21 H new ATOM 0 HB3 LEU A 36 27.593 -2.272 -17.213 1.00 40.21 H new ATOM 0 HG LEU A 36 24.704 -2.090 -18.095 1.00 74.45 H new ATOM 0 HD11 LEU A 36 24.177 -1.512 -15.760 1.00 4.04 H new ATOM 0 HD12 LEU A 36 24.795 -3.175 -15.906 1.00 4.04 H new ATOM 0 HD13 LEU A 36 25.854 -1.882 -15.294 1.00 4.04 H new ATOM 0 HD21 LEU A 36 24.926 0.240 -17.325 1.00 62.22 H new ATOM 0 HD22 LEU A 36 26.633 -0.060 -16.923 1.00 62.22 H new ATOM 0 HD23 LEU A 36 26.090 -0.143 -18.616 1.00 62.22 H new ATOM 565 N GLY A 37 27.916 -4.940 -19.809 1.00 22.33 N ATOM 566 CA GLY A 37 28.930 -5.953 -20.037 1.00 31.43 C ATOM 567 C GLY A 37 29.899 -6.075 -18.878 1.00 4.42 C ATOM 568 O GLY A 37 31.114 -6.091 -19.075 1.00 51.40 O ATOM 0 H GLY A 37 26.956 -5.258 -19.939 1.00 22.33 H new ATOM 0 HA2 GLY A 37 28.446 -6.915 -20.205 1.00 31.43 H new ATOM 0 HA3 GLY A 37 29.483 -5.711 -20.945 1.00 31.43 H new ATOM 572 N ALA A 38 29.362 -6.159 -17.665 1.00 41.41 N ATOM 573 CA ALA A 38 30.188 -6.279 -16.470 1.00 61.13 C ATOM 574 C ALA A 38 30.616 -7.725 -16.242 1.00 41.13 C ATOM 575 O ALA A 38 31.734 -8.112 -16.583 1.00 21.35 O ATOM 576 CB ALA A 38 29.440 -5.750 -15.256 1.00 34.53 C ATOM 0 H ALA A 38 28.358 -6.146 -17.484 1.00 41.41 H new ATOM 0 HA ALA A 38 31.087 -5.680 -16.618 1.00 61.13 H new ATOM 0 HB1 ALA A 38 30.069 -5.846 -14.371 1.00 34.53 H new ATOM 0 HB2 ALA A 38 29.190 -4.701 -15.412 1.00 34.53 H new ATOM 0 HB3 ALA A 38 28.524 -6.324 -15.114 1.00 34.53 H new ATOM 582 N ASP A 39 29.721 -8.518 -15.664 1.00 53.23 N ATOM 583 CA ASP A 39 30.006 -9.922 -15.391 1.00 52.41 C ATOM 584 C ASP A 39 28.821 -10.593 -14.702 1.00 45.34 C ATOM 585 O ASP A 39 27.799 -9.958 -14.446 1.00 13.32 O ATOM 586 CB ASP A 39 31.257 -10.050 -14.521 1.00 42.01 C ATOM 587 CG ASP A 39 32.401 -10.730 -15.248 1.00 75.22 C ATOM 588 OD1 ASP A 39 32.462 -10.620 -16.490 1.00 60.35 O ATOM 589 OD2 ASP A 39 33.233 -11.373 -14.575 1.00 63.21 O ATOM 0 H ASP A 39 28.792 -8.213 -15.375 1.00 53.23 H new ATOM 0 HA ASP A 39 30.182 -10.424 -16.343 1.00 52.41 H new ATOM 0 HB2 ASP A 39 31.574 -9.059 -14.198 1.00 42.01 H new ATOM 0 HB3 ASP A 39 31.014 -10.616 -13.622 1.00 42.01 H new ATOM 594 N SER A 40 28.967 -11.880 -14.407 1.00 22.41 N ATOM 595 CA SER A 40 27.908 -12.639 -13.753 1.00 33.15 C ATOM 596 C SER A 40 27.756 -12.214 -12.295 1.00 72.11 C ATOM 597 O SER A 40 26.641 -12.060 -11.794 1.00 22.31 O ATOM 598 CB SER A 40 28.202 -14.138 -13.830 1.00 64.44 C ATOM 599 OG SER A 40 28.355 -14.559 -15.175 1.00 32.00 O ATOM 0 H SER A 40 29.808 -12.419 -14.610 1.00 22.41 H new ATOM 0 HA SER A 40 26.973 -12.432 -14.274 1.00 33.15 H new ATOM 0 HB2 SER A 40 29.109 -14.363 -13.270 1.00 64.44 H new ATOM 0 HB3 SER A 40 27.391 -14.695 -13.361 1.00 64.44 H new ATOM 0 HG SER A 40 28.544 -15.520 -15.197 1.00 32.00 H new ATOM 605 N LEU A 41 28.884 -12.026 -11.620 1.00 22.01 N ATOM 606 CA LEU A 41 28.879 -11.619 -10.219 1.00 52.41 C ATOM 607 C LEU A 41 28.040 -10.360 -10.021 1.00 43.35 C ATOM 608 O LEU A 41 27.413 -10.177 -8.978 1.00 71.21 O ATOM 609 CB LEU A 41 30.308 -11.374 -9.733 1.00 24.40 C ATOM 610 CG LEU A 41 30.536 -11.503 -8.226 1.00 63.25 C ATOM 611 CD1 LEU A 41 30.512 -12.964 -7.806 1.00 32.41 C ATOM 612 CD2 LEU A 41 31.854 -10.854 -7.829 1.00 11.10 C ATOM 0 H LEU A 41 29.814 -12.149 -12.020 1.00 22.01 H new ATOM 0 HA LEU A 41 28.436 -12.425 -9.634 1.00 52.41 H new ATOM 0 HB2 LEU A 41 30.969 -12.076 -10.242 1.00 24.40 H new ATOM 0 HB3 LEU A 41 30.609 -10.373 -10.041 1.00 24.40 H new ATOM 0 HG LEU A 41 29.728 -10.984 -7.710 1.00 63.25 H new ATOM 0 HD11 LEU A 41 30.676 -13.036 -6.731 1.00 32.41 H new ATOM 0 HD12 LEU A 41 29.544 -13.398 -8.055 1.00 32.41 H new ATOM 0 HD13 LEU A 41 31.299 -13.506 -8.330 1.00 32.41 H new ATOM 0 HD21 LEU A 41 32.000 -10.955 -6.754 1.00 11.10 H new ATOM 0 HD22 LEU A 41 32.674 -11.344 -8.354 1.00 11.10 H new ATOM 0 HD23 LEU A 41 31.834 -9.797 -8.095 1.00 11.10 H new ATOM 624 N ASP A 42 28.033 -9.496 -11.031 1.00 11.24 N ATOM 625 CA ASP A 42 27.269 -8.255 -10.969 1.00 73.34 C ATOM 626 C ASP A 42 25.771 -8.541 -10.924 1.00 70.41 C ATOM 627 O ASP A 42 25.072 -8.107 -10.008 1.00 52.21 O ATOM 628 CB ASP A 42 27.595 -7.370 -12.173 1.00 63.23 C ATOM 629 CG ASP A 42 26.678 -6.167 -12.273 1.00 71.44 C ATOM 630 OD1 ASP A 42 26.120 -5.758 -11.233 1.00 43.25 O ATOM 631 OD2 ASP A 42 26.518 -5.635 -13.391 1.00 61.15 O ATOM 0 H ASP A 42 28.547 -9.632 -11.901 1.00 11.24 H new ATOM 0 HA ASP A 42 27.549 -7.730 -10.055 1.00 73.34 H new ATOM 0 HB2 ASP A 42 28.628 -7.030 -12.101 1.00 63.23 H new ATOM 0 HB3 ASP A 42 27.516 -7.960 -13.086 1.00 63.23 H new ATOM 636 N THR A 43 25.283 -9.275 -11.920 1.00 2.11 N ATOM 637 CA THR A 43 23.869 -9.617 -11.995 1.00 74.23 C ATOM 638 C THR A 43 23.380 -10.227 -10.686 1.00 51.33 C ATOM 639 O THR A 43 22.419 -9.745 -10.086 1.00 73.33 O ATOM 640 CB THR A 43 23.590 -10.605 -13.144 1.00 0.01 C ATOM 641 OG1 THR A 43 24.312 -11.823 -12.929 1.00 2.32 O ATOM 642 CG2 THR A 43 23.988 -10.003 -14.483 1.00 73.54 C ATOM 0 H THR A 43 25.847 -9.644 -12.686 1.00 2.11 H new ATOM 0 HA THR A 43 23.329 -8.689 -12.184 1.00 74.23 H new ATOM 0 HB THR A 43 22.521 -10.816 -13.162 1.00 0.01 H new ATOM 0 HG1 THR A 43 25.269 -11.627 -12.851 1.00 2.32 H new ATOM 0 HG21 THR A 43 23.782 -10.718 -15.279 1.00 73.54 H new ATOM 0 HG22 THR A 43 23.416 -9.092 -14.657 1.00 73.54 H new ATOM 0 HG23 THR A 43 25.052 -9.767 -14.474 1.00 73.54 H new ATOM 650 N VAL A 44 24.048 -11.289 -10.247 1.00 41.35 N ATOM 651 CA VAL A 44 23.683 -11.963 -9.008 1.00 34.33 C ATOM 652 C VAL A 44 23.717 -11.000 -7.827 1.00 4.42 C ATOM 653 O VAL A 44 22.888 -11.082 -6.922 1.00 12.11 O ATOM 654 CB VAL A 44 24.621 -13.149 -8.716 1.00 62.22 C ATOM 655 CG1 VAL A 44 26.065 -12.679 -8.629 1.00 0.22 C ATOM 656 CG2 VAL A 44 24.204 -13.856 -7.436 1.00 33.34 C ATOM 0 H VAL A 44 24.845 -11.701 -10.732 1.00 41.35 H new ATOM 0 HA VAL A 44 22.667 -12.336 -9.139 1.00 34.33 H new ATOM 0 HB VAL A 44 24.544 -13.861 -9.538 1.00 62.22 H new ATOM 0 HG11 VAL A 44 26.713 -13.531 -8.422 1.00 0.22 H new ATOM 0 HG12 VAL A 44 26.357 -12.222 -9.575 1.00 0.22 H new ATOM 0 HG13 VAL A 44 26.162 -11.947 -7.828 1.00 0.22 H new ATOM 0 HG21 VAL A 44 24.878 -14.691 -7.246 1.00 33.34 H new ATOM 0 HG22 VAL A 44 24.249 -13.156 -6.602 1.00 33.34 H new ATOM 0 HG23 VAL A 44 23.185 -14.229 -7.542 1.00 33.34 H new ATOM 666 N GLU A 45 24.683 -10.086 -7.844 1.00 23.34 N ATOM 667 CA GLU A 45 24.826 -9.107 -6.773 1.00 51.41 C ATOM 668 C GLU A 45 23.562 -8.262 -6.637 1.00 3.14 C ATOM 669 O GLU A 45 23.074 -8.028 -5.530 1.00 24.30 O ATOM 670 CB GLU A 45 26.031 -8.202 -7.037 1.00 3.22 C ATOM 671 CG GLU A 45 26.368 -7.282 -5.875 1.00 71.21 C ATOM 672 CD GLU A 45 27.693 -7.627 -5.223 1.00 33.11 C ATOM 673 OE1 GLU A 45 28.737 -7.488 -5.893 1.00 62.04 O ATOM 674 OE2 GLU A 45 27.685 -8.036 -4.043 1.00 43.11 O ATOM 0 H GLU A 45 25.377 -10.004 -8.587 1.00 23.34 H new ATOM 0 HA GLU A 45 24.984 -9.647 -5.840 1.00 51.41 H new ATOM 0 HB2 GLU A 45 26.899 -8.823 -7.261 1.00 3.22 H new ATOM 0 HB3 GLU A 45 25.834 -7.598 -7.922 1.00 3.22 H new ATOM 0 HG2 GLU A 45 26.399 -6.252 -6.229 1.00 71.21 H new ATOM 0 HG3 GLU A 45 25.575 -7.339 -5.130 1.00 71.21 H new ATOM 681 N LEU A 46 23.038 -7.806 -7.769 1.00 34.13 N ATOM 682 CA LEU A 46 21.831 -6.987 -7.777 1.00 52.41 C ATOM 683 C LEU A 46 20.632 -7.778 -7.265 1.00 14.21 C ATOM 684 O LEU A 46 19.903 -7.320 -6.384 1.00 71.34 O ATOM 685 CB LEU A 46 21.550 -6.471 -9.190 1.00 24.31 C ATOM 686 CG LEU A 46 22.711 -5.763 -9.889 1.00 4.34 C ATOM 687 CD1 LEU A 46 22.241 -5.115 -11.182 1.00 30.04 C ATOM 688 CD2 LEU A 46 23.336 -4.725 -8.967 1.00 35.34 C ATOM 0 H LEU A 46 23.430 -7.989 -8.693 1.00 34.13 H new ATOM 0 HA LEU A 46 21.994 -6.139 -7.112 1.00 52.41 H new ATOM 0 HB2 LEU A 46 21.240 -7.314 -9.808 1.00 24.31 H new ATOM 0 HB3 LEU A 46 20.706 -5.782 -9.143 1.00 24.31 H new ATOM 0 HG LEU A 46 23.470 -6.506 -10.134 1.00 4.34 H new ATOM 0 HD11 LEU A 46 23.081 -4.616 -11.665 1.00 30.04 H new ATOM 0 HD12 LEU A 46 21.841 -5.880 -11.848 1.00 30.04 H new ATOM 0 HD13 LEU A 46 21.463 -4.384 -10.961 1.00 30.04 H new ATOM 0 HD21 LEU A 46 24.161 -4.231 -9.481 1.00 35.34 H new ATOM 0 HD22 LEU A 46 22.585 -3.985 -8.691 1.00 35.34 H new ATOM 0 HD23 LEU A 46 23.710 -5.215 -8.068 1.00 35.34 H new ATOM 700 N VAL A 47 20.434 -8.969 -7.821 1.00 12.03 N ATOM 701 CA VAL A 47 19.325 -9.826 -7.418 1.00 42.00 C ATOM 702 C VAL A 47 19.279 -9.989 -5.903 1.00 31.20 C ATOM 703 O VAL A 47 18.213 -9.914 -5.293 1.00 11.12 O ATOM 704 CB VAL A 47 19.426 -11.218 -8.070 1.00 52.44 C ATOM 705 CG1 VAL A 47 18.288 -12.111 -7.601 1.00 72.10 C ATOM 706 CG2 VAL A 47 19.428 -11.096 -9.587 1.00 4.23 C ATOM 0 H VAL A 47 21.027 -9.362 -8.552 1.00 12.03 H new ATOM 0 HA VAL A 47 18.410 -9.340 -7.756 1.00 42.00 H new ATOM 0 HB VAL A 47 20.366 -11.677 -7.763 1.00 52.44 H new ATOM 0 HG11 VAL A 47 18.376 -13.090 -8.072 1.00 72.10 H new ATOM 0 HG12 VAL A 47 18.337 -12.224 -6.518 1.00 72.10 H new ATOM 0 HG13 VAL A 47 17.335 -11.660 -7.876 1.00 72.10 H new ATOM 0 HG21 VAL A 47 19.500 -12.089 -10.032 1.00 4.23 H new ATOM 0 HG22 VAL A 47 18.505 -10.617 -9.915 1.00 4.23 H new ATOM 0 HG23 VAL A 47 20.280 -10.494 -9.903 1.00 4.23 H new ATOM 716 N MET A 48 20.443 -10.213 -5.302 1.00 12.44 N ATOM 717 CA MET A 48 20.535 -10.385 -3.856 1.00 43.34 C ATOM 718 C MET A 48 20.203 -9.084 -3.132 1.00 33.33 C ATOM 719 O MET A 48 19.515 -9.090 -2.111 1.00 24.21 O ATOM 720 CB MET A 48 21.938 -10.856 -3.466 1.00 54.51 C ATOM 721 CG MET A 48 22.366 -12.135 -4.166 1.00 40.25 C ATOM 722 SD MET A 48 24.155 -12.259 -4.352 1.00 22.42 S ATOM 723 CE MET A 48 24.668 -12.351 -2.638 1.00 34.00 C ATOM 0 H MET A 48 21.335 -10.280 -5.793 1.00 12.44 H new ATOM 0 HA MET A 48 19.809 -11.142 -3.558 1.00 43.34 H new ATOM 0 HB2 MET A 48 22.654 -10.068 -3.697 1.00 54.51 H new ATOM 0 HB3 MET A 48 21.973 -11.012 -2.388 1.00 54.51 H new ATOM 0 HG2 MET A 48 22.003 -12.993 -3.600 1.00 40.25 H new ATOM 0 HG3 MET A 48 21.898 -12.180 -5.149 1.00 40.25 H new ATOM 0 HE1 MET A 48 25.744 -12.521 -2.589 1.00 34.00 H new ATOM 0 HE2 MET A 48 24.425 -11.415 -2.135 1.00 34.00 H new ATOM 0 HE3 MET A 48 24.148 -13.173 -2.146 1.00 34.00 H new ATOM 733 N ALA A 49 20.695 -7.972 -3.666 1.00 42.41 N ATOM 734 CA ALA A 49 20.448 -6.664 -3.071 1.00 25.22 C ATOM 735 C ALA A 49 18.954 -6.369 -2.994 1.00 44.13 C ATOM 736 O ALA A 49 18.496 -5.662 -2.096 1.00 40.40 O ATOM 737 CB ALA A 49 21.163 -5.580 -3.864 1.00 12.11 C ATOM 0 H ALA A 49 21.267 -7.950 -4.510 1.00 42.41 H new ATOM 0 HA ALA A 49 20.842 -6.674 -2.055 1.00 25.22 H new ATOM 0 HB1 ALA A 49 20.970 -4.609 -3.409 1.00 12.11 H new ATOM 0 HB2 ALA A 49 22.235 -5.775 -3.862 1.00 12.11 H new ATOM 0 HB3 ALA A 49 20.797 -5.579 -4.891 1.00 12.11 H new ATOM 743 N LEU A 50 18.199 -6.914 -3.942 1.00 3.24 N ATOM 744 CA LEU A 50 16.756 -6.708 -3.982 1.00 74.10 C ATOM 745 C LEU A 50 16.049 -7.606 -2.971 1.00 42.22 C ATOM 746 O LEU A 50 15.340 -7.124 -2.089 1.00 12.12 O ATOM 747 CB LEU A 50 16.220 -6.984 -5.388 1.00 63.41 C ATOM 748 CG LEU A 50 16.648 -5.998 -6.475 1.00 42.30 C ATOM 749 CD1 LEU A 50 16.275 -6.525 -7.852 1.00 15.13 C ATOM 750 CD2 LEU A 50 16.018 -4.634 -6.235 1.00 51.41 C ATOM 0 H LEU A 50 18.562 -7.501 -4.693 1.00 3.24 H new ATOM 0 HA LEU A 50 16.555 -5.669 -3.721 1.00 74.10 H new ATOM 0 HB2 LEU A 50 16.537 -7.983 -5.686 1.00 63.41 H new ATOM 0 HB3 LEU A 50 15.131 -6.995 -5.344 1.00 63.41 H new ATOM 0 HG LEU A 50 17.732 -5.888 -6.433 1.00 42.30 H new ATOM 0 HD11 LEU A 50 16.588 -5.809 -8.612 1.00 15.13 H new ATOM 0 HD12 LEU A 50 16.774 -7.479 -8.024 1.00 15.13 H new ATOM 0 HD13 LEU A 50 15.195 -6.665 -7.908 1.00 15.13 H new ATOM 0 HD21 LEU A 50 16.334 -3.945 -7.018 1.00 51.41 H new ATOM 0 HD22 LEU A 50 14.932 -4.727 -6.249 1.00 51.41 H new ATOM 0 HD23 LEU A 50 16.336 -4.252 -5.265 1.00 51.41 H new ATOM 762 N GLU A 51 16.251 -8.913 -3.106 1.00 14.01 N ATOM 763 CA GLU A 51 15.633 -9.877 -2.203 1.00 25.32 C ATOM 764 C GLU A 51 16.061 -9.623 -0.760 1.00 42.23 C ATOM 765 O GLU A 51 15.408 -10.074 0.180 1.00 62.32 O ATOM 766 CB GLU A 51 16.006 -11.304 -2.613 1.00 13.25 C ATOM 767 CG GLU A 51 17.493 -11.598 -2.509 1.00 34.50 C ATOM 768 CD GLU A 51 17.781 -12.890 -1.769 1.00 23.02 C ATOM 769 OE1 GLU A 51 16.932 -13.805 -1.819 1.00 41.54 O ATOM 770 OE2 GLU A 51 18.855 -12.986 -1.139 1.00 62.41 O ATOM 0 H GLU A 51 16.837 -9.328 -3.831 1.00 14.01 H new ATOM 0 HA GLU A 51 14.552 -9.758 -2.270 1.00 25.32 H new ATOM 0 HB2 GLU A 51 15.460 -12.008 -1.985 1.00 13.25 H new ATOM 0 HB3 GLU A 51 15.681 -11.475 -3.639 1.00 13.25 H new ATOM 0 HG2 GLU A 51 17.920 -11.654 -3.511 1.00 34.50 H new ATOM 0 HG3 GLU A 51 17.988 -10.772 -1.998 1.00 34.50 H new ATOM 777 N GLU A 52 17.163 -8.897 -0.595 1.00 14.00 N ATOM 778 CA GLU A 52 17.678 -8.584 0.733 1.00 42.25 C ATOM 779 C GLU A 52 17.133 -7.247 1.227 1.00 51.15 C ATOM 780 O GLU A 52 16.457 -7.182 2.253 1.00 61.22 O ATOM 781 CB GLU A 52 19.208 -8.548 0.715 1.00 52.15 C ATOM 782 CG GLU A 52 19.828 -8.348 2.087 1.00 21.11 C ATOM 783 CD GLU A 52 21.325 -8.589 2.091 1.00 22.24 C ATOM 784 OE1 GLU A 52 21.853 -9.065 1.065 1.00 60.22 O ATOM 785 OE2 GLU A 52 21.969 -8.301 3.122 1.00 31.12 O ATOM 0 H GLU A 52 17.715 -8.515 -1.363 1.00 14.00 H new ATOM 0 HA GLU A 52 17.348 -9.366 1.417 1.00 42.25 H new ATOM 0 HB2 GLU A 52 19.580 -9.480 0.290 1.00 52.15 H new ATOM 0 HB3 GLU A 52 19.536 -7.744 0.056 1.00 52.15 H new ATOM 0 HG2 GLU A 52 19.626 -7.333 2.428 1.00 21.11 H new ATOM 0 HG3 GLU A 52 19.353 -9.024 2.798 1.00 21.11 H new ATOM 792 N GLU A 53 17.433 -6.183 0.488 1.00 12.11 N ATOM 793 CA GLU A 53 16.974 -4.847 0.852 1.00 30.40 C ATOM 794 C GLU A 53 15.451 -4.763 0.803 1.00 21.33 C ATOM 795 O GLU A 53 14.803 -4.448 1.802 1.00 63.33 O ATOM 796 CB GLU A 53 17.584 -3.802 -0.084 1.00 53.21 C ATOM 797 CG GLU A 53 17.281 -2.370 0.323 1.00 12.34 C ATOM 798 CD GLU A 53 18.352 -1.779 1.219 1.00 44.11 C ATOM 799 OE1 GLU A 53 19.048 -2.558 1.903 1.00 4.15 O ATOM 800 OE2 GLU A 53 18.495 -0.539 1.235 1.00 1.45 O ATOM 0 H GLU A 53 17.991 -6.220 -0.365 1.00 12.11 H new ATOM 0 HA GLU A 53 17.299 -4.644 1.872 1.00 30.40 H new ATOM 0 HB2 GLU A 53 18.665 -3.941 -0.115 1.00 53.21 H new ATOM 0 HB3 GLU A 53 17.212 -3.970 -1.095 1.00 53.21 H new ATOM 0 HG2 GLU A 53 17.181 -1.755 -0.572 1.00 12.34 H new ATOM 0 HG3 GLU A 53 16.322 -2.338 0.840 1.00 12.34 H new ATOM 807 N PHE A 54 14.886 -5.047 -0.366 1.00 11.24 N ATOM 808 CA PHE A 54 13.440 -5.002 -0.546 1.00 75.02 C ATOM 809 C PHE A 54 12.773 -6.216 0.096 1.00 44.44 C ATOM 810 O PHE A 54 11.547 -6.304 0.156 1.00 30.40 O ATOM 811 CB PHE A 54 13.092 -4.943 -2.035 1.00 72.21 C ATOM 812 CG PHE A 54 13.094 -3.550 -2.597 1.00 33.15 C ATOM 813 CD1 PHE A 54 11.974 -2.742 -2.483 1.00 51.15 C ATOM 814 CD2 PHE A 54 14.215 -3.048 -3.237 1.00 24.42 C ATOM 815 CE1 PHE A 54 11.973 -1.460 -3.000 1.00 11.01 C ATOM 816 CE2 PHE A 54 14.220 -1.767 -3.755 1.00 4.01 C ATOM 817 CZ PHE A 54 13.098 -0.971 -3.635 1.00 72.43 C ATOM 0 H PHE A 54 15.407 -5.311 -1.202 1.00 11.24 H new ATOM 0 HA PHE A 54 13.066 -4.103 -0.056 1.00 75.02 H new ATOM 0 HB2 PHE A 54 13.805 -5.551 -2.591 1.00 72.21 H new ATOM 0 HB3 PHE A 54 12.108 -5.386 -2.188 1.00 72.21 H new ATOM 0 HD1 PHE A 54 11.093 -3.118 -1.985 1.00 51.15 H new ATOM 0 HD2 PHE A 54 15.096 -3.665 -3.332 1.00 24.42 H new ATOM 0 HE1 PHE A 54 11.093 -0.841 -2.907 1.00 11.01 H new ATOM 0 HE2 PHE A 54 15.100 -1.389 -4.253 1.00 4.01 H new ATOM 0 HZ PHE A 54 13.100 0.032 -4.037 1.00 72.43 H new ATOM 827 N ASP A 55 13.591 -7.148 0.573 1.00 54.14 N ATOM 828 CA ASP A 55 13.082 -8.357 1.211 1.00 50.34 C ATOM 829 C ASP A 55 12.244 -9.175 0.234 1.00 73.24 C ATOM 830 O ASP A 55 11.351 -9.921 0.637 1.00 20.35 O ATOM 831 CB ASP A 55 12.248 -7.997 2.441 1.00 74.20 C ATOM 832 CG ASP A 55 12.027 -9.184 3.358 1.00 61.21 C ATOM 833 OD1 ASP A 55 12.975 -9.976 3.542 1.00 42.52 O ATOM 834 OD2 ASP A 55 10.906 -9.322 3.891 1.00 70.40 O ATOM 0 H ASP A 55 14.608 -7.090 0.530 1.00 54.14 H new ATOM 0 HA ASP A 55 13.934 -8.960 1.524 1.00 50.34 H new ATOM 0 HB2 ASP A 55 12.747 -7.202 2.995 1.00 74.20 H new ATOM 0 HB3 ASP A 55 11.283 -7.605 2.120 1.00 74.20 H new ATOM 839 N THR A 56 12.536 -9.030 -1.055 1.00 51.13 N ATOM 840 CA THR A 56 11.808 -9.753 -2.090 1.00 62.32 C ATOM 841 C THR A 56 12.295 -11.194 -2.199 1.00 54.15 C ATOM 842 O THR A 56 13.259 -11.584 -1.542 1.00 35.13 O ATOM 843 CB THR A 56 11.954 -9.069 -3.462 1.00 41.34 C ATOM 844 OG1 THR A 56 13.238 -8.443 -3.563 1.00 50.35 O ATOM 845 CG2 THR A 56 10.861 -8.031 -3.669 1.00 32.34 C ATOM 0 H THR A 56 13.272 -8.418 -1.407 1.00 51.13 H new ATOM 0 HA THR A 56 10.757 -9.748 -1.800 1.00 62.32 H new ATOM 0 HB THR A 56 11.860 -9.832 -4.235 1.00 41.34 H new ATOM 0 HG1 THR A 56 13.175 -7.661 -4.150 1.00 50.35 H new ATOM 0 HG21 THR A 56 10.985 -7.562 -4.645 1.00 32.34 H new ATOM 0 HG22 THR A 56 9.886 -8.515 -3.621 1.00 32.34 H new ATOM 0 HG23 THR A 56 10.928 -7.272 -2.890 1.00 32.34 H new ATOM 853 N GLU A 57 11.622 -11.979 -3.035 1.00 34.23 N ATOM 854 CA GLU A 57 11.987 -13.377 -3.229 1.00 72.40 C ATOM 855 C GLU A 57 12.403 -13.635 -4.674 1.00 65.22 C ATOM 856 O GLU A 57 11.579 -13.997 -5.514 1.00 34.02 O ATOM 857 CB GLU A 57 10.817 -14.290 -2.853 1.00 44.04 C ATOM 858 CG GLU A 57 11.248 -15.674 -2.397 1.00 15.12 C ATOM 859 CD GLU A 57 10.071 -16.599 -2.150 1.00 43.42 C ATOM 860 OE1 GLU A 57 9.579 -17.206 -3.124 1.00 22.02 O ATOM 861 OE2 GLU A 57 9.643 -16.715 -0.983 1.00 4.34 O ATOM 0 H GLU A 57 10.822 -11.671 -3.588 1.00 34.23 H new ATOM 0 HA GLU A 57 12.834 -13.598 -2.580 1.00 72.40 H new ATOM 0 HB2 GLU A 57 10.240 -13.818 -2.058 1.00 44.04 H new ATOM 0 HB3 GLU A 57 10.154 -14.390 -3.712 1.00 44.04 H new ATOM 0 HG2 GLU A 57 11.900 -16.115 -3.151 1.00 15.12 H new ATOM 0 HG3 GLU A 57 11.834 -15.585 -1.482 1.00 15.12 H new ATOM 868 N ILE A 58 13.688 -13.446 -4.956 1.00 40.30 N ATOM 869 CA ILE A 58 14.214 -13.658 -6.299 1.00 4.14 C ATOM 870 C ILE A 58 15.251 -14.777 -6.312 1.00 53.53 C ATOM 871 O ILE A 58 16.457 -14.538 -6.363 1.00 45.15 O ATOM 872 CB ILE A 58 14.853 -12.375 -6.862 1.00 40.23 C ATOM 873 CG1 ILE A 58 13.905 -11.187 -6.685 1.00 2.14 C ATOM 874 CG2 ILE A 58 15.209 -12.561 -8.330 1.00 13.23 C ATOM 875 CD1 ILE A 58 14.297 -10.266 -5.550 1.00 54.02 C ATOM 0 H ILE A 58 14.384 -13.147 -4.273 1.00 40.30 H new ATOM 0 HA ILE A 58 13.370 -13.940 -6.928 1.00 4.14 H new ATOM 0 HB ILE A 58 15.770 -12.170 -6.309 1.00 40.23 H new ATOM 0 HG12 ILE A 58 13.875 -10.615 -7.612 1.00 2.14 H new ATOM 0 HG13 ILE A 58 12.896 -11.560 -6.508 1.00 2.14 H new ATOM 0 HG21 ILE A 58 15.660 -11.646 -8.714 1.00 13.23 H new ATOM 0 HG22 ILE A 58 15.916 -13.384 -8.431 1.00 13.23 H new ATOM 0 HG23 ILE A 58 14.306 -12.787 -8.898 1.00 13.23 H new ATOM 0 HD11 ILE A 58 13.581 -9.447 -5.483 1.00 54.02 H new ATOM 0 HD12 ILE A 58 14.300 -10.824 -4.613 1.00 54.02 H new ATOM 0 HD13 ILE A 58 15.293 -9.864 -5.735 1.00 54.02 H new ATOM 887 N PRO A 59 14.771 -16.028 -6.267 1.00 71.23 N ATOM 888 CA PRO A 59 15.639 -17.210 -6.276 1.00 12.51 C ATOM 889 C PRO A 59 16.324 -17.416 -7.623 1.00 13.14 C ATOM 890 O PRO A 59 16.280 -16.545 -8.492 1.00 32.21 O ATOM 891 CB PRO A 59 14.673 -18.361 -5.985 1.00 23.21 C ATOM 892 CG PRO A 59 13.346 -17.870 -6.451 1.00 64.14 C ATOM 893 CD PRO A 59 13.344 -16.387 -6.205 1.00 50.32 C ATOM 0 HA PRO A 59 16.452 -17.125 -5.555 1.00 12.51 H new ATOM 0 HB2 PRO A 59 14.967 -19.268 -6.513 1.00 23.21 H new ATOM 0 HB3 PRO A 59 14.655 -18.603 -4.922 1.00 23.21 H new ATOM 0 HG2 PRO A 59 13.198 -18.090 -7.508 1.00 64.14 H new ATOM 0 HG3 PRO A 59 12.537 -18.357 -5.907 1.00 64.14 H new ATOM 0 HD2 PRO A 59 12.763 -15.856 -6.959 1.00 50.32 H new ATOM 0 HD3 PRO A 59 12.910 -16.141 -5.236 1.00 50.32 H new ATOM 901 N ASP A 60 16.955 -18.573 -7.789 1.00 3.34 N ATOM 902 CA ASP A 60 17.648 -18.894 -9.031 1.00 4.02 C ATOM 903 C ASP A 60 16.724 -18.713 -10.231 1.00 65.11 C ATOM 904 O ASP A 60 17.096 -18.086 -11.222 1.00 53.15 O ATOM 905 CB ASP A 60 18.176 -20.329 -8.989 1.00 72.01 C ATOM 906 CG ASP A 60 19.032 -20.596 -7.767 1.00 33.05 C ATOM 907 OD1 ASP A 60 19.839 -19.715 -7.405 1.00 25.54 O ATOM 908 OD2 ASP A 60 18.894 -21.686 -7.172 1.00 43.02 O ATOM 0 H ASP A 60 17.001 -19.304 -7.079 1.00 3.34 H new ATOM 0 HA ASP A 60 18.489 -18.209 -9.137 1.00 4.02 H new ATOM 0 HB2 ASP A 60 17.335 -21.023 -8.998 1.00 72.01 H new ATOM 0 HB3 ASP A 60 18.761 -20.524 -9.888 1.00 72.01 H new ATOM 913 N GLU A 61 15.520 -19.268 -10.134 1.00 3.14 N ATOM 914 CA GLU A 61 14.545 -19.169 -11.213 1.00 13.22 C ATOM 915 C GLU A 61 14.308 -17.712 -11.600 1.00 51.11 C ATOM 916 O GLU A 61 14.679 -17.282 -12.692 1.00 15.33 O ATOM 917 CB GLU A 61 13.223 -19.819 -10.797 1.00 3.42 C ATOM 918 CG GLU A 61 12.346 -20.220 -11.971 1.00 1.41 C ATOM 919 CD GLU A 61 10.887 -19.867 -11.756 1.00 70.50 C ATOM 920 OE1 GLU A 61 10.381 -20.089 -10.636 1.00 4.41 O ATOM 921 OE2 GLU A 61 10.251 -19.370 -12.709 1.00 32.31 O ATOM 0 H GLU A 61 15.197 -19.790 -9.320 1.00 3.14 H new ATOM 0 HA GLU A 61 14.945 -19.697 -12.079 1.00 13.22 H new ATOM 0 HB2 GLU A 61 13.436 -20.702 -10.195 1.00 3.42 H new ATOM 0 HB3 GLU A 61 12.671 -19.126 -10.162 1.00 3.42 H new ATOM 0 HG2 GLU A 61 12.706 -19.727 -12.874 1.00 1.41 H new ATOM 0 HG3 GLU A 61 12.436 -21.294 -12.137 1.00 1.41 H new ATOM 928 N GLU A 62 13.688 -16.959 -10.697 1.00 54.11 N ATOM 929 CA GLU A 62 13.400 -15.551 -10.945 1.00 41.02 C ATOM 930 C GLU A 62 14.658 -14.808 -11.385 1.00 4.15 C ATOM 931 O GLU A 62 14.605 -13.930 -12.245 1.00 51.11 O ATOM 932 CB GLU A 62 12.821 -14.897 -9.689 1.00 53.11 C ATOM 933 CG GLU A 62 11.359 -15.234 -9.446 1.00 41.34 C ATOM 934 CD GLU A 62 11.128 -16.719 -9.250 1.00 74.41 C ATOM 935 OE1 GLU A 62 11.017 -17.442 -10.262 1.00 72.12 O ATOM 936 OE2 GLU A 62 11.058 -17.159 -8.083 1.00 75.11 O ATOM 0 H GLU A 62 13.376 -17.300 -9.788 1.00 54.11 H new ATOM 0 HA GLU A 62 12.665 -15.493 -11.748 1.00 41.02 H new ATOM 0 HB2 GLU A 62 13.406 -15.210 -8.824 1.00 53.11 H new ATOM 0 HB3 GLU A 62 12.927 -13.815 -9.771 1.00 53.11 H new ATOM 0 HG2 GLU A 62 11.007 -14.696 -8.566 1.00 41.34 H new ATOM 0 HG3 GLU A 62 10.764 -14.886 -10.291 1.00 41.34 H new ATOM 943 N ALA A 63 15.790 -15.167 -10.786 1.00 54.32 N ATOM 944 CA ALA A 63 17.062 -14.536 -11.116 1.00 14.10 C ATOM 945 C ALA A 63 17.336 -14.604 -12.614 1.00 60.14 C ATOM 946 O ALA A 63 17.711 -13.608 -13.231 1.00 44.23 O ATOM 947 CB ALA A 63 18.193 -15.193 -10.340 1.00 4.22 C ATOM 0 H ALA A 63 15.851 -15.891 -10.070 1.00 54.32 H new ATOM 0 HA ALA A 63 17.003 -13.485 -10.832 1.00 14.10 H new ATOM 0 HB1 ALA A 63 19.137 -14.712 -10.596 1.00 4.22 H new ATOM 0 HB2 ALA A 63 18.010 -15.087 -9.271 1.00 4.22 H new ATOM 0 HB3 ALA A 63 18.244 -16.251 -10.596 1.00 4.22 H new ATOM 953 N GLU A 64 17.147 -15.786 -13.193 1.00 53.10 N ATOM 954 CA GLU A 64 17.376 -15.983 -14.620 1.00 11.35 C ATOM 955 C GLU A 64 16.564 -14.988 -15.443 1.00 52.45 C ATOM 956 O GLU A 64 16.929 -14.653 -16.571 1.00 10.24 O ATOM 957 CB GLU A 64 17.013 -17.413 -15.024 1.00 51.04 C ATOM 958 CG GLU A 64 17.939 -18.465 -14.438 1.00 32.23 C ATOM 959 CD GLU A 64 17.315 -19.847 -14.422 1.00 23.43 C ATOM 960 OE1 GLU A 64 16.850 -20.300 -15.489 1.00 12.23 O ATOM 961 OE2 GLU A 64 17.292 -20.476 -13.343 1.00 64.22 O ATOM 0 H GLU A 64 16.836 -16.621 -12.696 1.00 53.10 H new ATOM 0 HA GLU A 64 18.434 -15.815 -14.819 1.00 11.35 H new ATOM 0 HB2 GLU A 64 15.992 -17.623 -14.707 1.00 51.04 H new ATOM 0 HB3 GLU A 64 17.031 -17.490 -16.111 1.00 51.04 H new ATOM 0 HG2 GLU A 64 18.862 -18.494 -15.017 1.00 32.23 H new ATOM 0 HG3 GLU A 64 18.209 -18.180 -13.421 1.00 32.23 H new ATOM 968 N LYS A 65 15.459 -14.518 -14.873 1.00 24.41 N ATOM 969 CA LYS A 65 14.594 -13.561 -15.552 1.00 62.10 C ATOM 970 C LYS A 65 15.144 -12.144 -15.423 1.00 61.24 C ATOM 971 O LYS A 65 15.205 -11.401 -16.403 1.00 52.13 O ATOM 972 CB LYS A 65 13.178 -13.624 -14.976 1.00 31.24 C ATOM 973 CG LYS A 65 12.689 -15.039 -14.718 1.00 14.22 C ATOM 974 CD LYS A 65 11.181 -15.145 -14.874 1.00 11.50 C ATOM 975 CE LYS A 65 10.796 -15.607 -16.271 1.00 43.10 C ATOM 976 NZ LYS A 65 9.444 -15.122 -16.663 1.00 32.20 N ATOM 0 H LYS A 65 15.142 -14.785 -13.941 1.00 24.41 H new ATOM 0 HA LYS A 65 14.562 -13.825 -16.609 1.00 62.10 H new ATOM 0 HB2 LYS A 65 13.149 -13.063 -14.042 1.00 31.24 H new ATOM 0 HB3 LYS A 65 12.492 -13.131 -15.665 1.00 31.24 H new ATOM 0 HG2 LYS A 65 13.176 -15.725 -15.410 1.00 14.22 H new ATOM 0 HG3 LYS A 65 12.974 -15.346 -13.712 1.00 14.22 H new ATOM 0 HD2 LYS A 65 10.786 -15.844 -14.137 1.00 11.50 H new ATOM 0 HD3 LYS A 65 10.724 -14.176 -14.671 1.00 11.50 H new ATOM 0 HE2 LYS A 65 11.533 -15.247 -16.989 1.00 43.10 H new ATOM 0 HE3 LYS A 65 10.817 -16.696 -16.312 1.00 43.10 H new ATOM 0 HZ1 LYS A 65 9.219 -15.458 -17.621 1.00 32.20 H new ATOM 0 HZ2 LYS A 65 8.737 -15.486 -15.993 1.00 32.20 H new ATOM 0 HZ3 LYS A 65 9.431 -14.082 -16.649 1.00 32.20 H new ATOM 990 N ILE A 66 15.544 -11.778 -14.211 1.00 4.43 N ATOM 991 CA ILE A 66 16.092 -10.451 -13.956 1.00 15.20 C ATOM 992 C ILE A 66 17.521 -10.337 -14.475 1.00 52.40 C ATOM 993 O ILE A 66 18.473 -10.725 -13.797 1.00 72.34 O ATOM 994 CB ILE A 66 16.075 -10.114 -12.453 1.00 54.23 C ATOM 995 CG1 ILE A 66 14.696 -10.409 -11.858 1.00 4.53 C ATOM 996 CG2 ILE A 66 16.452 -8.657 -12.233 1.00 2.40 C ATOM 997 CD1 ILE A 66 13.573 -9.651 -12.530 1.00 1.41 C ATOM 0 H ILE A 66 15.499 -12.381 -13.390 1.00 4.43 H new ATOM 0 HA ILE A 66 15.458 -9.741 -14.486 1.00 15.20 H new ATOM 0 HB ILE A 66 16.810 -10.740 -11.947 1.00 54.23 H new ATOM 0 HG12 ILE A 66 14.498 -11.478 -11.934 1.00 4.53 H new ATOM 0 HG13 ILE A 66 14.707 -10.161 -10.797 1.00 4.53 H new ATOM 0 HG21 ILE A 66 16.436 -8.434 -11.166 1.00 2.40 H new ATOM 0 HG22 ILE A 66 17.453 -8.477 -12.626 1.00 2.40 H new ATOM 0 HG23 ILE A 66 15.738 -8.015 -12.749 1.00 2.40 H new ATOM 0 HD11 ILE A 66 12.626 -9.909 -12.057 1.00 1.41 H new ATOM 0 HD12 ILE A 66 13.747 -8.580 -12.432 1.00 1.41 H new ATOM 0 HD13 ILE A 66 13.535 -9.917 -13.586 1.00 1.41 H new ATOM 1009 N THR A 67 17.665 -9.799 -15.682 1.00 41.23 N ATOM 1010 CA THR A 67 18.978 -9.632 -16.293 1.00 31.21 C ATOM 1011 C THR A 67 19.292 -8.159 -16.528 1.00 72.24 C ATOM 1012 O THR A 67 20.455 -7.772 -16.648 1.00 31.35 O ATOM 1013 CB THR A 67 19.074 -10.386 -17.632 1.00 63.44 C ATOM 1014 OG1 THR A 67 18.031 -9.956 -18.513 1.00 55.02 O ATOM 1015 CG2 THR A 67 18.975 -11.889 -17.416 1.00 14.11 C ATOM 0 H THR A 67 16.888 -9.471 -16.256 1.00 41.23 H new ATOM 0 HA THR A 67 19.706 -10.049 -15.597 1.00 31.21 H new ATOM 0 HB THR A 67 20.042 -10.162 -18.080 1.00 63.44 H new ATOM 0 HG1 THR A 67 18.101 -10.439 -19.363 1.00 55.02 H new ATOM 0 HG21 THR A 67 19.045 -12.400 -18.376 1.00 14.11 H new ATOM 0 HG22 THR A 67 19.788 -12.218 -16.769 1.00 14.11 H new ATOM 0 HG23 THR A 67 18.020 -12.127 -16.947 1.00 14.11 H new ATOM 1023 N THR A 68 18.247 -7.339 -16.594 1.00 63.31 N ATOM 1024 CA THR A 68 18.412 -5.908 -16.816 1.00 33.32 C ATOM 1025 C THR A 68 17.728 -5.100 -15.719 1.00 40.21 C ATOM 1026 O THR A 68 17.176 -5.661 -14.773 1.00 30.14 O ATOM 1027 CB THR A 68 17.843 -5.482 -18.182 1.00 74.43 C ATOM 1028 OG1 THR A 68 16.411 -5.469 -18.134 1.00 45.12 O ATOM 1029 CG2 THR A 68 18.309 -6.426 -19.281 1.00 2.14 C ATOM 0 H THR A 68 17.278 -7.642 -16.497 1.00 63.31 H new ATOM 0 HA THR A 68 19.483 -5.707 -16.799 1.00 33.32 H new ATOM 0 HB THR A 68 18.208 -4.480 -18.406 1.00 74.43 H new ATOM 0 HG1 THR A 68 16.057 -5.195 -19.006 1.00 45.12 H new ATOM 0 HG21 THR A 68 17.894 -6.105 -20.237 1.00 2.14 H new ATOM 0 HG22 THR A 68 19.398 -6.412 -19.335 1.00 2.14 H new ATOM 0 HG23 THR A 68 17.969 -7.438 -19.060 1.00 2.14 H new ATOM 1037 N VAL A 69 17.768 -3.778 -15.853 1.00 14.14 N ATOM 1038 CA VAL A 69 17.150 -2.892 -14.873 1.00 51.34 C ATOM 1039 C VAL A 69 15.629 -2.971 -14.943 1.00 0.02 C ATOM 1040 O VAL A 69 14.960 -3.133 -13.923 1.00 74.50 O ATOM 1041 CB VAL A 69 17.587 -1.430 -15.085 1.00 10.02 C ATOM 1042 CG1 VAL A 69 17.015 -0.538 -13.993 1.00 24.30 C ATOM 1043 CG2 VAL A 69 19.104 -1.329 -15.127 1.00 43.12 C ATOM 0 H VAL A 69 18.221 -3.297 -16.630 1.00 14.14 H new ATOM 0 HA VAL A 69 17.483 -3.225 -13.890 1.00 51.34 H new ATOM 0 HB VAL A 69 17.196 -1.087 -16.043 1.00 10.02 H new ATOM 0 HG11 VAL A 69 17.334 0.491 -14.159 1.00 24.30 H new ATOM 0 HG12 VAL A 69 15.926 -0.588 -14.015 1.00 24.30 H new ATOM 0 HG13 VAL A 69 17.374 -0.877 -13.021 1.00 24.30 H new ATOM 0 HG21 VAL A 69 19.395 -0.290 -15.277 1.00 43.12 H new ATOM 0 HG22 VAL A 69 19.519 -1.690 -14.186 1.00 43.12 H new ATOM 0 HG23 VAL A 69 19.486 -1.935 -15.948 1.00 43.12 H new ATOM 1053 N GLN A 70 15.091 -2.856 -16.152 1.00 54.44 N ATOM 1054 CA GLN A 70 13.648 -2.914 -16.355 1.00 33.25 C ATOM 1055 C GLN A 70 13.056 -4.157 -15.698 1.00 0.02 C ATOM 1056 O GLN A 70 12.035 -4.084 -15.015 1.00 54.45 O ATOM 1057 CB GLN A 70 13.320 -2.907 -17.849 1.00 21.43 C ATOM 1058 CG GLN A 70 11.962 -2.305 -18.171 1.00 42.40 C ATOM 1059 CD GLN A 70 10.883 -2.746 -17.203 1.00 32.45 C ATOM 1060 OE1 GLN A 70 10.263 -3.795 -17.382 1.00 25.44 O ATOM 1061 NE2 GLN A 70 10.652 -1.946 -16.168 1.00 75.33 N ATOM 0 H GLN A 70 15.632 -2.722 -17.006 1.00 54.44 H new ATOM 0 HA GLN A 70 13.206 -2.033 -15.890 1.00 33.25 H new ATOM 0 HB2 GLN A 70 14.091 -2.348 -18.379 1.00 21.43 H new ATOM 0 HB3 GLN A 70 13.353 -3.930 -18.225 1.00 21.43 H new ATOM 0 HG2 GLN A 70 12.038 -1.218 -18.154 1.00 42.40 H new ATOM 0 HG3 GLN A 70 11.674 -2.588 -19.183 1.00 42.40 H new ATOM 0 HE21 GLN A 70 11.189 -1.086 -16.058 1.00 75.33 H new ATOM 0 HE22 GLN A 70 9.937 -2.192 -15.483 1.00 75.33 H new ATOM 1070 N ALA A 71 13.705 -5.298 -15.909 1.00 53.51 N ATOM 1071 CA ALA A 71 13.244 -6.556 -15.336 1.00 74.03 C ATOM 1072 C ALA A 71 13.229 -6.493 -13.813 1.00 31.03 C ATOM 1073 O ALA A 71 12.277 -6.938 -13.173 1.00 35.01 O ATOM 1074 CB ALA A 71 14.121 -7.705 -15.811 1.00 4.25 C ATOM 0 H ALA A 71 14.552 -5.376 -16.473 1.00 53.51 H new ATOM 0 HA ALA A 71 12.223 -6.729 -15.676 1.00 74.03 H new ATOM 0 HB1 ALA A 71 13.765 -8.639 -15.375 1.00 4.25 H new ATOM 0 HB2 ALA A 71 14.076 -7.772 -16.898 1.00 4.25 H new ATOM 0 HB3 ALA A 71 15.151 -7.529 -15.501 1.00 4.25 H new ATOM 1080 N ALA A 72 14.291 -5.938 -13.238 1.00 31.22 N ATOM 1081 CA ALA A 72 14.399 -5.816 -11.789 1.00 71.13 C ATOM 1082 C ALA A 72 13.363 -4.840 -11.242 1.00 4.41 C ATOM 1083 O ALA A 72 12.520 -5.209 -10.424 1.00 51.23 O ATOM 1084 CB ALA A 72 15.802 -5.374 -11.400 1.00 53.11 C ATOM 0 H ALA A 72 15.089 -5.566 -13.753 1.00 31.22 H new ATOM 0 HA ALA A 72 14.204 -6.795 -11.351 1.00 71.13 H new ATOM 0 HB1 ALA A 72 15.868 -5.287 -10.316 1.00 53.11 H new ATOM 0 HB2 ALA A 72 16.526 -6.110 -11.750 1.00 53.11 H new ATOM 0 HB3 ALA A 72 16.018 -4.408 -11.855 1.00 53.11 H new ATOM 1090 N ILE A 73 13.434 -3.593 -11.697 1.00 73.31 N ATOM 1091 CA ILE A 73 12.502 -2.565 -11.253 1.00 13.44 C ATOM 1092 C ILE A 73 11.058 -3.034 -11.391 1.00 75.23 C ATOM 1093 O ILE A 73 10.188 -2.640 -10.613 1.00 65.42 O ATOM 1094 CB ILE A 73 12.684 -1.258 -12.048 1.00 75.41 C ATOM 1095 CG1 ILE A 73 11.890 -0.124 -11.396 1.00 62.03 C ATOM 1096 CG2 ILE A 73 12.249 -1.454 -13.493 1.00 43.51 C ATOM 1097 CD1 ILE A 73 12.577 0.478 -10.191 1.00 12.35 C ATOM 0 H ILE A 73 14.127 -3.271 -12.372 1.00 73.31 H new ATOM 0 HA ILE A 73 12.720 -2.375 -10.202 1.00 13.44 H new ATOM 0 HB ILE A 73 13.740 -0.988 -12.039 1.00 75.41 H new ATOM 0 HG12 ILE A 73 11.717 0.659 -12.134 1.00 62.03 H new ATOM 0 HG13 ILE A 73 10.912 -0.501 -11.096 1.00 62.03 H new ATOM 0 HG21 ILE A 73 12.383 -0.522 -14.043 1.00 43.51 H new ATOM 0 HG22 ILE A 73 12.853 -2.236 -13.952 1.00 43.51 H new ATOM 0 HG23 ILE A 73 11.199 -1.744 -13.521 1.00 43.51 H new ATOM 0 HD11 ILE A 73 11.958 1.275 -9.780 1.00 12.35 H new ATOM 0 HD12 ILE A 73 12.726 -0.292 -9.435 1.00 12.35 H new ATOM 0 HD13 ILE A 73 13.543 0.886 -10.489 1.00 12.35 H new ATOM 1109 N ASP A 74 10.809 -3.879 -12.386 1.00 20.23 N ATOM 1110 CA ASP A 74 9.470 -4.406 -12.625 1.00 43.21 C ATOM 1111 C ASP A 74 9.085 -5.418 -11.551 1.00 73.53 C ATOM 1112 O ASP A 74 8.026 -5.309 -10.932 1.00 71.34 O ATOM 1113 CB ASP A 74 9.395 -5.056 -14.007 1.00 55.35 C ATOM 1114 CG ASP A 74 7.979 -5.439 -14.390 1.00 75.11 C ATOM 1115 OD1 ASP A 74 7.044 -4.693 -14.030 1.00 54.04 O ATOM 1116 OD2 ASP A 74 7.805 -6.485 -15.050 1.00 42.20 O ATOM 0 H ASP A 74 11.517 -4.214 -13.040 1.00 20.23 H new ATOM 0 HA ASP A 74 8.766 -3.575 -12.584 1.00 43.21 H new ATOM 0 HB2 ASP A 74 9.796 -4.368 -14.751 1.00 55.35 H new ATOM 0 HB3 ASP A 74 10.026 -5.945 -14.022 1.00 55.35 H new ATOM 1121 N TYR A 75 9.950 -6.403 -11.337 1.00 34.54 N ATOM 1122 CA TYR A 75 9.698 -7.438 -10.340 1.00 50.13 C ATOM 1123 C TYR A 75 9.366 -6.820 -8.985 1.00 61.14 C ATOM 1124 O TYR A 75 8.322 -7.105 -8.399 1.00 20.42 O ATOM 1125 CB TYR A 75 10.914 -8.357 -10.210 1.00 50.33 C ATOM 1126 CG TYR A 75 10.638 -9.619 -9.426 1.00 33.34 C ATOM 1127 CD1 TYR A 75 10.484 -9.584 -8.045 1.00 51.53 C ATOM 1128 CD2 TYR A 75 10.530 -10.848 -10.065 1.00 75.22 C ATOM 1129 CE1 TYR A 75 10.232 -10.735 -7.325 1.00 3.24 C ATOM 1130 CE2 TYR A 75 10.276 -12.004 -9.353 1.00 25.44 C ATOM 1131 CZ TYR A 75 10.129 -11.943 -7.983 1.00 2.44 C ATOM 1132 OH TYR A 75 9.877 -13.091 -7.268 1.00 61.54 O ATOM 0 H TYR A 75 10.831 -6.507 -11.840 1.00 34.54 H new ATOM 0 HA TYR A 75 8.841 -8.025 -10.671 1.00 50.13 H new ATOM 0 HB2 TYR A 75 11.263 -8.627 -11.207 1.00 50.33 H new ATOM 0 HB3 TYR A 75 11.723 -7.809 -9.727 1.00 50.33 H new ATOM 0 HD1 TYR A 75 10.563 -8.640 -7.526 1.00 51.53 H new ATOM 0 HD2 TYR A 75 10.647 -10.900 -11.137 1.00 75.22 H new ATOM 0 HE1 TYR A 75 10.116 -10.690 -6.252 1.00 3.24 H new ATOM 0 HE2 TYR A 75 10.193 -12.951 -9.866 1.00 25.44 H new ATOM 0 HH TYR A 75 10.676 -13.341 -6.759 1.00 61.54 H new ATOM 1142 N VAL A 76 10.263 -5.971 -8.494 1.00 52.30 N ATOM 1143 CA VAL A 76 10.066 -5.310 -7.209 1.00 42.13 C ATOM 1144 C VAL A 76 8.792 -4.472 -7.211 1.00 63.44 C ATOM 1145 O VAL A 76 7.958 -4.590 -6.315 1.00 24.52 O ATOM 1146 CB VAL A 76 11.261 -4.406 -6.855 1.00 5.44 C ATOM 1147 CG1 VAL A 76 11.027 -3.709 -5.523 1.00 42.40 C ATOM 1148 CG2 VAL A 76 12.550 -5.214 -6.823 1.00 53.02 C ATOM 0 H VAL A 76 11.133 -5.725 -8.966 1.00 52.30 H new ATOM 0 HA VAL A 76 9.979 -6.096 -6.459 1.00 42.13 H new ATOM 0 HB VAL A 76 11.357 -3.642 -7.627 1.00 5.44 H new ATOM 0 HG11 VAL A 76 11.882 -3.074 -5.289 1.00 42.40 H new ATOM 0 HG12 VAL A 76 10.127 -3.097 -5.586 1.00 42.40 H new ATOM 0 HG13 VAL A 76 10.904 -4.456 -4.738 1.00 42.40 H new ATOM 0 HG21 VAL A 76 13.384 -4.559 -6.571 1.00 53.02 H new ATOM 0 HG22 VAL A 76 12.468 -6.001 -6.073 1.00 53.02 H new ATOM 0 HG23 VAL A 76 12.723 -5.662 -7.802 1.00 53.02 H new ATOM 1158 N ASN A 77 8.649 -3.626 -8.226 1.00 52.01 N ATOM 1159 CA ASN A 77 7.476 -2.768 -8.345 1.00 52.44 C ATOM 1160 C ASN A 77 6.194 -3.596 -8.351 1.00 43.53 C ATOM 1161 O ASN A 77 5.130 -3.114 -7.963 1.00 41.10 O ATOM 1162 CB ASN A 77 7.560 -1.928 -9.622 1.00 31.31 C ATOM 1163 CG ASN A 77 6.377 -0.993 -9.778 1.00 13.44 C ATOM 1164 OD1 ASN A 77 5.245 -1.433 -9.977 1.00 34.41 O ATOM 1165 ND2 ASN A 77 6.634 0.307 -9.687 1.00 64.03 N ATOM 0 H ASN A 77 9.330 -3.516 -8.977 1.00 52.01 H new ATOM 0 HA ASN A 77 7.454 -2.103 -7.481 1.00 52.44 H new ATOM 0 HB2 ASN A 77 8.481 -1.345 -9.610 1.00 31.31 H new ATOM 0 HB3 ASN A 77 7.613 -2.590 -10.486 1.00 31.31 H new ATOM 0 HD21 ASN A 77 5.877 0.984 -9.783 1.00 64.03 H new ATOM 0 HD22 ASN A 77 7.588 0.628 -9.521 1.00 64.03 H new ATOM 1172 N SER A 78 6.305 -4.844 -8.794 1.00 52.11 N ATOM 1173 CA SER A 78 5.155 -5.738 -8.854 1.00 32.52 C ATOM 1174 C SER A 78 4.977 -6.483 -7.534 1.00 73.22 C ATOM 1175 O SER A 78 3.860 -6.830 -7.150 1.00 35.34 O ATOM 1176 CB SER A 78 5.319 -6.739 -9.999 1.00 63.31 C ATOM 1177 OG SER A 78 4.103 -7.417 -10.263 1.00 51.43 O ATOM 0 H SER A 78 7.179 -5.259 -9.117 1.00 52.11 H new ATOM 0 HA SER A 78 4.266 -5.134 -9.034 1.00 32.52 H new ATOM 0 HB2 SER A 78 5.650 -6.218 -10.897 1.00 63.31 H new ATOM 0 HB3 SER A 78 6.094 -7.462 -9.746 1.00 63.31 H new ATOM 0 HG SER A 78 4.234 -8.050 -11.000 1.00 51.43 H new ATOM 1183 N HIS A 79 6.087 -6.726 -6.844 1.00 52.33 N ATOM 1184 CA HIS A 79 6.055 -7.429 -5.567 1.00 12.12 C ATOM 1185 C HIS A 79 5.894 -6.447 -4.410 1.00 63.01 C ATOM 1186 O HIS A 79 6.707 -6.425 -3.486 1.00 35.42 O ATOM 1187 CB HIS A 79 7.331 -8.250 -5.381 1.00 31.24 C ATOM 1188 CG HIS A 79 7.290 -9.583 -6.062 1.00 31.41 C ATOM 1189 ND1 HIS A 79 7.029 -9.733 -7.408 1.00 21.13 N ATOM 1190 CD2 HIS A 79 7.480 -10.832 -5.576 1.00 23.21 C ATOM 1191 CE1 HIS A 79 7.059 -11.016 -7.720 1.00 20.44 C ATOM 1192 NE2 HIS A 79 7.331 -11.705 -6.626 1.00 3.13 N ATOM 0 H HIS A 79 7.020 -6.446 -7.148 1.00 52.33 H new ATOM 0 HA HIS A 79 5.197 -8.101 -5.572 1.00 12.12 H new ATOM 0 HB2 HIS A 79 8.178 -7.681 -5.764 1.00 31.24 H new ATOM 0 HB3 HIS A 79 7.504 -8.401 -4.315 1.00 31.24 H new ATOM 0 HD2 HIS A 79 7.707 -11.094 -4.553 1.00 23.21 H new ATOM 0 HE1 HIS A 79 6.890 -11.431 -8.702 1.00 20.44 H new ATOM 0 HE2 HIS A 79 7.416 -12.720 -6.570 1.00 3.13 H new ATOM 1200 N GLN A 80 4.843 -5.637 -4.470 1.00 14.53 N ATOM 1201 CA GLN A 80 4.578 -4.652 -3.428 1.00 14.24 C ATOM 1202 C GLN A 80 4.365 -5.331 -2.078 1.00 42.35 C ATOM 1203 O GLN A 80 3.546 -4.890 -1.272 1.00 14.21 O ATOM 1204 CB GLN A 80 3.350 -3.813 -3.789 1.00 22.42 C ATOM 1205 CG GLN A 80 3.483 -3.081 -5.114 1.00 55.13 C ATOM 1206 CD GLN A 80 4.307 -1.814 -5.001 1.00 64.01 C ATOM 1207 OE1 GLN A 80 4.750 -1.443 -3.914 1.00 11.33 O ATOM 1208 NE2 GLN A 80 4.519 -1.143 -6.127 1.00 41.40 N ATOM 0 H GLN A 80 4.161 -5.643 -5.229 1.00 14.53 H new ATOM 0 HA GLN A 80 5.447 -3.998 -3.353 1.00 14.24 H new ATOM 0 HB2 GLN A 80 2.475 -4.462 -3.828 1.00 22.42 H new ATOM 0 HB3 GLN A 80 3.172 -3.085 -2.997 1.00 22.42 H new ATOM 0 HG2 GLN A 80 3.943 -3.744 -5.847 1.00 55.13 H new ATOM 0 HG3 GLN A 80 2.490 -2.832 -5.488 1.00 55.13 H new ATOM 0 HE21 GLN A 80 4.133 -1.487 -7.006 1.00 41.40 H new ATOM 0 HE22 GLN A 80 5.068 -0.284 -6.113 1.00 41.40 H new TER 1217 GLN A 80