USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 775 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 112 HIS : no HD1:sc= 0.383 K(o=1,f=-3.7) USER MOD Set 1.2: A 113 GLN :FLIP amide:sc= 0.624 F(o=-2.3,f=1) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -158:sc= 0.0166 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= -2.47 K(o=-3.2,f=-5!) USER MOD Set 2.3: A 84 THR OG1 : rot -150:sc= -0.705 USER MOD Set 3.1: A 44 SER OG : rot -111:sc= 0.483 USER MOD Set 3.2: A 51 SER OG : rot 77:sc= -0.0607 USER MOD Set 3.3: A 52 THR OG1 : rot 90:sc= 1.11 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 154:sc= -5.67! (180deg=-7.07!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 4:sc= -0.876 USER MOD Single : A 50 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.78) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -1.54 (180deg=-2.78!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -32:sc= 0.328 USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= 0.64 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.7 F(o=-2.9,f=-1.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 94 ASN :FLIP amide:sc= -2.75! C(o=-3.3!,f=-2.8!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.127) USER MOD Single : A 101 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.32) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -113:sc= -2.17 USER MOD Single : A 110 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.0078) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.166 F(o=-0.97,f=-0.17) USER MOD Single : A 118 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.024) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 3.445 -2.171 -5.968 1.00 14.44 N ATOM 66 CA LEU A 27 4.407 -3.150 -6.460 1.00 52.04 C ATOM 67 C LEU A 27 3.721 -4.199 -7.328 1.00 73.55 C ATOM 68 O LEU A 27 4.096 -4.407 -8.483 1.00 13.54 O ATOM 69 CB LEU A 27 5.120 -3.827 -5.289 1.00 22.34 C ATOM 70 CG LEU A 27 5.950 -5.064 -5.633 1.00 65.21 C ATOM 71 CD1 LEU A 27 7.398 -4.871 -5.211 1.00 4.53 C ATOM 72 CD2 LEU A 27 5.362 -6.302 -4.973 1.00 34.20 C ATOM 0 HA LEU A 27 5.142 -2.625 -7.070 1.00 52.04 H new ATOM 0 HB2 LEU A 27 5.775 -3.095 -4.816 1.00 22.34 H new ATOM 0 HB3 LEU A 27 4.372 -4.111 -4.549 1.00 22.34 H new ATOM 0 HG LEU A 27 5.924 -5.205 -6.714 1.00 65.21 H new ATOM 0 HD11 LEU A 27 7.973 -5.762 -5.464 1.00 4.53 H new ATOM 0 HD12 LEU A 27 7.817 -4.009 -5.731 1.00 4.53 H new ATOM 0 HD13 LEU A 27 7.444 -4.703 -4.135 1.00 4.53 H new ATOM 0 HD21 LEU A 27 5.966 -7.172 -5.229 1.00 34.20 H new ATOM 0 HD22 LEU A 27 5.357 -6.170 -3.891 1.00 34.20 H new ATOM 0 HD23 LEU A 27 4.341 -6.452 -5.325 1.00 34.20 H new ATOM 84 N ARG A 28 2.712 -4.857 -6.765 1.00 65.51 N ATOM 85 CA ARG A 28 1.973 -5.885 -7.488 1.00 53.14 C ATOM 86 C ARG A 28 1.430 -5.339 -8.807 1.00 31.15 C ATOM 87 O ARG A 28 1.187 -6.093 -9.749 1.00 22.34 O ATOM 88 CB ARG A 28 0.821 -6.413 -6.631 1.00 24.12 C ATOM 89 CG ARG A 28 0.724 -7.930 -6.609 1.00 54.34 C ATOM 90 CD ARG A 28 -0.715 -8.393 -6.439 1.00 61.30 C ATOM 91 NE ARG A 28 -1.577 -7.912 -7.516 1.00 22.24 N ATOM 92 CZ ARG A 28 -2.844 -8.283 -7.663 1.00 51.44 C ATOM 93 NH1 ARG A 28 -3.395 -9.132 -6.807 1.00 65.43 N ATOM 94 NH2 ARG A 28 -3.564 -7.801 -8.669 1.00 65.21 N ATOM 0 H ARG A 28 2.388 -4.696 -5.811 1.00 65.51 H new ATOM 0 HA ARG A 28 2.659 -6.703 -7.707 1.00 53.14 H new ATOM 0 HB2 ARG A 28 0.943 -6.050 -5.610 1.00 24.12 H new ATOM 0 HB3 ARG A 28 -0.117 -6.003 -7.005 1.00 24.12 H new ATOM 0 HG2 ARG A 28 1.131 -8.335 -7.535 1.00 54.34 H new ATOM 0 HG3 ARG A 28 1.333 -8.323 -5.795 1.00 54.34 H new ATOM 0 HD2 ARG A 28 -0.744 -9.482 -6.411 1.00 61.30 H new ATOM 0 HD3 ARG A 28 -1.099 -8.039 -5.482 1.00 61.30 H new ATOM 0 HE ARG A 28 -1.185 -7.256 -8.191 1.00 22.24 H new ATOM 0 HH11 ARG A 28 -2.846 -9.503 -6.032 1.00 65.43 H new ATOM 0 HH12 ARG A 28 -4.368 -9.414 -6.924 1.00 65.43 H new ATOM 0 HH21 ARG A 28 -3.144 -7.146 -9.329 1.00 65.21 H new ATOM 0 HH22 ARG A 28 -4.537 -8.086 -8.782 1.00 65.21 H new ATOM 108 N ARG A 29 1.243 -4.025 -8.863 1.00 41.14 N ATOM 109 CA ARG A 29 0.728 -3.379 -10.065 1.00 10.31 C ATOM 110 C ARG A 29 1.842 -3.162 -11.086 1.00 0.10 C ATOM 111 O ARG A 29 1.582 -3.006 -12.279 1.00 31.03 O ATOM 112 CB ARG A 29 0.079 -2.040 -9.711 1.00 3.41 C ATOM 113 CG ARG A 29 -1.439 -2.065 -9.765 1.00 53.03 C ATOM 114 CD ARG A 29 -2.029 -2.764 -8.550 1.00 2.53 C ATOM 115 NE ARG A 29 -3.296 -3.422 -8.856 1.00 63.14 N ATOM 116 CZ ARG A 29 -4.459 -2.783 -8.926 1.00 45.12 C ATOM 117 NH1 ARG A 29 -4.514 -1.476 -8.712 1.00 52.24 N ATOM 118 NH2 ARG A 29 -5.568 -3.451 -9.211 1.00 22.31 N ATOM 0 H ARG A 29 1.440 -3.387 -8.092 1.00 41.14 H new ATOM 0 HA ARG A 29 -0.023 -4.034 -10.506 1.00 10.31 H new ATOM 0 HB2 ARG A 29 0.394 -1.747 -8.709 1.00 3.41 H new ATOM 0 HB3 ARG A 29 0.446 -1.276 -10.396 1.00 3.41 H new ATOM 0 HG2 ARG A 29 -1.819 -1.045 -9.819 1.00 53.03 H new ATOM 0 HG3 ARG A 29 -1.763 -2.575 -10.672 1.00 53.03 H new ATOM 0 HD2 ARG A 29 -1.319 -3.502 -8.176 1.00 2.53 H new ATOM 0 HD3 ARG A 29 -2.182 -2.037 -7.753 1.00 2.53 H new ATOM 0 HE ARG A 29 -3.288 -4.428 -9.025 1.00 63.14 H new ATOM 0 HH11 ARG A 29 -3.663 -0.959 -8.493 1.00 52.24 H new ATOM 0 HH12 ARG A 29 -5.408 -0.987 -8.766 1.00 52.24 H new ATOM 0 HH21 ARG A 29 -5.529 -4.457 -9.377 1.00 22.31 H new ATOM 0 HH22 ARG A 29 -6.460 -2.959 -9.264 1.00 22.31 H new ATOM 132 N ARG A 30 3.082 -3.152 -10.608 1.00 10.34 N ATOM 133 CA ARG A 30 4.234 -2.952 -11.478 1.00 23.30 C ATOM 134 C ARG A 30 4.693 -4.276 -12.085 1.00 54.44 C ATOM 135 O ARG A 30 5.159 -4.319 -13.224 1.00 73.04 O ATOM 136 CB ARG A 30 5.384 -2.312 -10.698 1.00 61.12 C ATOM 137 CG ARG A 30 5.435 -0.799 -10.820 1.00 41.23 C ATOM 138 CD ARG A 30 6.865 -0.283 -10.782 1.00 24.31 C ATOM 139 NE ARG A 30 7.053 0.876 -11.650 1.00 24.13 N ATOM 140 CZ ARG A 30 7.017 0.815 -12.976 1.00 64.12 C ATOM 141 NH1 ARG A 30 6.800 -0.343 -13.584 1.00 64.21 N ATOM 142 NH2 ARG A 30 7.197 1.914 -13.697 1.00 43.14 N ATOM 0 H ARG A 30 3.314 -3.280 -9.623 1.00 10.34 H new ATOM 0 HA ARG A 30 3.936 -2.284 -12.286 1.00 23.30 H new ATOM 0 HB2 ARG A 30 5.291 -2.580 -9.646 1.00 61.12 H new ATOM 0 HB3 ARG A 30 6.327 -2.728 -11.051 1.00 61.12 H new ATOM 0 HG2 ARG A 30 4.961 -0.492 -11.753 1.00 41.23 H new ATOM 0 HG3 ARG A 30 4.863 -0.348 -10.009 1.00 41.23 H new ATOM 0 HD2 ARG A 30 7.126 -0.015 -9.758 1.00 24.31 H new ATOM 0 HD3 ARG A 30 7.545 -1.078 -11.087 1.00 24.31 H new ATOM 0 HE ARG A 30 7.221 1.783 -11.214 1.00 24.13 H new ATOM 0 HH11 ARG A 30 6.660 -1.190 -13.033 1.00 64.21 H new ATOM 0 HH12 ARG A 30 6.773 -0.387 -14.603 1.00 64.21 H new ATOM 0 HH21 ARG A 30 7.363 2.807 -13.233 1.00 43.14 H new ATOM 0 HH22 ARG A 30 7.169 1.866 -14.715 1.00 43.14 H new ATOM 156 N LEU A 31 4.556 -5.352 -11.318 1.00 5.31 N ATOM 157 CA LEU A 31 4.956 -6.676 -11.781 1.00 22.11 C ATOM 158 C LEU A 31 4.084 -7.132 -12.946 1.00 50.24 C ATOM 159 O LEU A 31 4.578 -7.714 -13.913 1.00 35.34 O ATOM 160 CB LEU A 31 4.866 -7.686 -10.635 1.00 71.13 C ATOM 161 CG LEU A 31 5.433 -7.229 -9.291 1.00 72.23 C ATOM 162 CD1 LEU A 31 5.552 -8.405 -8.334 1.00 12.42 C ATOM 163 CD2 LEU A 31 6.785 -6.557 -9.483 1.00 11.21 C ATOM 0 H LEU A 31 4.171 -5.334 -10.374 1.00 5.31 H new ATOM 0 HA LEU A 31 5.988 -6.617 -12.126 1.00 22.11 H new ATOM 0 HB2 LEU A 31 3.818 -7.952 -10.493 1.00 71.13 H new ATOM 0 HB3 LEU A 31 5.387 -8.595 -10.936 1.00 71.13 H new ATOM 0 HG LEU A 31 4.746 -6.502 -8.857 1.00 72.23 H new ATOM 0 HD11 LEU A 31 5.957 -8.060 -7.383 1.00 12.42 H new ATOM 0 HD12 LEU A 31 4.567 -8.843 -8.171 1.00 12.42 H new ATOM 0 HD13 LEU A 31 6.217 -9.156 -8.761 1.00 12.42 H new ATOM 0 HD21 LEU A 31 7.173 -6.238 -8.516 1.00 11.21 H new ATOM 0 HD22 LEU A 31 7.480 -7.262 -9.939 1.00 11.21 H new ATOM 0 HD23 LEU A 31 6.671 -5.689 -10.132 1.00 11.21 H new ATOM 175 N ARG A 32 2.787 -6.862 -12.848 1.00 54.12 N ATOM 176 CA ARG A 32 1.846 -7.244 -13.895 1.00 60.42 C ATOM 177 C ARG A 32 1.892 -6.254 -15.055 1.00 63.00 C ATOM 178 O ARG A 32 1.516 -6.584 -16.180 1.00 45.54 O ATOM 179 CB ARG A 32 0.426 -7.320 -13.332 1.00 13.33 C ATOM 180 CG ARG A 32 -0.400 -8.456 -13.912 1.00 11.42 C ATOM 181 CD ARG A 32 -1.118 -9.236 -12.822 1.00 64.44 C ATOM 182 NE ARG A 32 -2.008 -10.254 -13.373 1.00 22.21 N ATOM 183 CZ ARG A 32 -1.580 -11.380 -13.934 1.00 54.31 C ATOM 184 NH1 ARG A 32 -0.280 -11.630 -14.018 1.00 73.41 N ATOM 185 NH2 ARG A 32 -2.452 -12.257 -14.413 1.00 53.43 N ATOM 0 H ARG A 32 2.363 -6.380 -12.055 1.00 54.12 H new ATOM 0 HA ARG A 32 2.135 -8.227 -14.267 1.00 60.42 H new ATOM 0 HB2 ARG A 32 0.479 -7.437 -12.250 1.00 13.33 H new ATOM 0 HB3 ARG A 32 -0.083 -6.376 -13.526 1.00 13.33 H new ATOM 0 HG2 ARG A 32 -1.130 -8.054 -14.615 1.00 11.42 H new ATOM 0 HG3 ARG A 32 0.248 -9.128 -14.475 1.00 11.42 H new ATOM 0 HD2 ARG A 32 -0.383 -9.711 -12.172 1.00 64.44 H new ATOM 0 HD3 ARG A 32 -1.694 -8.548 -12.203 1.00 64.44 H new ATOM 0 HE ARG A 32 -3.014 -10.092 -13.325 1.00 22.21 H new ATOM 0 HH11 ARG A 32 0.393 -10.957 -13.652 1.00 73.41 H new ATOM 0 HH12 ARG A 32 0.046 -12.495 -14.449 1.00 73.41 H new ATOM 0 HH21 ARG A 32 -3.452 -12.067 -14.351 1.00 53.43 H new ATOM 0 HH22 ARG A 32 -2.122 -13.121 -14.843 1.00 53.43 H new ATOM 199 N ASP A 33 2.354 -5.041 -14.773 1.00 23.22 N ATOM 200 CA ASP A 33 2.451 -4.003 -15.793 1.00 1.01 C ATOM 201 C ASP A 33 3.748 -4.138 -16.585 1.00 72.23 C ATOM 202 O ASP A 33 3.790 -3.849 -17.781 1.00 74.04 O ATOM 203 CB ASP A 33 2.374 -2.618 -15.149 1.00 52.33 C ATOM 204 CG ASP A 33 0.945 -2.176 -14.894 1.00 43.04 C ATOM 205 OD1 ASP A 33 0.024 -2.983 -15.136 1.00 54.34 O ATOM 206 OD2 ASP A 33 0.750 -1.024 -14.453 1.00 62.22 O ATOM 0 H ASP A 33 2.667 -4.752 -13.846 1.00 23.22 H new ATOM 0 HA ASP A 33 1.613 -4.123 -16.480 1.00 1.01 H new ATOM 0 HB2 ASP A 33 2.922 -2.628 -14.207 1.00 52.33 H new ATOM 0 HB3 ASP A 33 2.866 -1.892 -15.796 1.00 52.33 H new ATOM 211 N LEU A 34 4.804 -4.578 -15.910 1.00 50.31 N ATOM 212 CA LEU A 34 6.103 -4.750 -16.551 1.00 23.24 C ATOM 213 C LEU A 34 5.985 -5.625 -17.794 1.00 24.23 C ATOM 214 O LEU A 34 6.611 -5.352 -18.819 1.00 62.53 O ATOM 215 CB LEU A 34 7.099 -5.369 -15.569 1.00 62.45 C ATOM 216 CG LEU A 34 8.424 -4.625 -15.398 1.00 44.11 C ATOM 217 CD1 LEU A 34 9.394 -5.445 -14.561 1.00 73.22 C ATOM 218 CD2 LEU A 34 9.032 -4.299 -16.755 1.00 2.24 C ATOM 0 H LEU A 34 4.786 -4.822 -14.920 1.00 50.31 H new ATOM 0 HA LEU A 34 6.465 -3.768 -16.855 1.00 23.24 H new ATOM 0 HB2 LEU A 34 6.618 -5.443 -14.593 1.00 62.45 H new ATOM 0 HB3 LEU A 34 7.316 -6.386 -15.895 1.00 62.45 H new ATOM 0 HG LEU A 34 8.227 -3.689 -14.875 1.00 44.11 H new ATOM 0 HD11 LEU A 34 10.331 -4.899 -14.451 1.00 73.22 H new ATOM 0 HD12 LEU A 34 8.962 -5.627 -13.577 1.00 73.22 H new ATOM 0 HD13 LEU A 34 9.585 -6.398 -15.055 1.00 73.22 H new ATOM 0 HD21 LEU A 34 9.974 -3.770 -16.614 1.00 2.24 H new ATOM 0 HD22 LEU A 34 9.214 -5.223 -17.304 1.00 2.24 H new ATOM 0 HD23 LEU A 34 8.344 -3.670 -17.320 1.00 2.24 H new ATOM 230 N ILE A 35 5.179 -6.677 -17.697 1.00 33.11 N ATOM 231 CA ILE A 35 4.976 -7.591 -18.814 1.00 4.42 C ATOM 232 C ILE A 35 4.205 -6.915 -19.943 1.00 72.25 C ATOM 233 O ILE A 35 4.300 -7.320 -21.101 1.00 71.43 O ATOM 234 CB ILE A 35 4.218 -8.857 -18.375 1.00 63.44 C ATOM 235 CG1 ILE A 35 5.030 -9.628 -17.332 1.00 3.33 C ATOM 236 CG2 ILE A 35 3.921 -9.739 -19.579 1.00 74.45 C ATOM 237 CD1 ILE A 35 4.351 -9.714 -15.982 1.00 42.13 C ATOM 0 H ILE A 35 4.655 -6.918 -16.855 1.00 33.11 H new ATOM 0 HA ILE A 35 5.965 -7.877 -19.173 1.00 4.42 H new ATOM 0 HB ILE A 35 3.272 -8.559 -17.924 1.00 63.44 H new ATOM 0 HG12 ILE A 35 5.216 -10.637 -17.701 1.00 3.33 H new ATOM 0 HG13 ILE A 35 6.001 -9.148 -17.212 1.00 3.33 H new ATOM 0 HG21 ILE A 35 3.385 -10.630 -19.254 1.00 74.45 H new ATOM 0 HG22 ILE A 35 3.308 -9.187 -20.292 1.00 74.45 H new ATOM 0 HG23 ILE A 35 4.857 -10.032 -20.055 1.00 74.45 H new ATOM 0 HD11 ILE A 35 4.983 -10.274 -15.292 1.00 42.13 H new ATOM 0 HD12 ILE A 35 4.189 -8.709 -15.592 1.00 42.13 H new ATOM 0 HD13 ILE A 35 3.392 -10.221 -16.089 1.00 42.13 H new ATOM 249 N GLU A 36 3.443 -5.882 -19.598 1.00 22.44 N ATOM 250 CA GLU A 36 2.656 -5.151 -20.583 1.00 12.41 C ATOM 251 C GLU A 36 3.476 -4.025 -21.206 1.00 72.54 C ATOM 252 O GLU A 36 3.259 -3.649 -22.358 1.00 1.32 O ATOM 253 CB GLU A 36 1.393 -4.578 -19.936 1.00 74.30 C ATOM 254 CG GLU A 36 0.345 -4.129 -20.941 1.00 35.11 C ATOM 255 CD GLU A 36 -0.001 -2.659 -20.806 1.00 61.12 C ATOM 256 OE1 GLU A 36 0.932 -1.843 -20.649 1.00 61.23 O ATOM 257 OE2 GLU A 36 -1.202 -2.325 -20.857 1.00 12.45 O ATOM 0 H GLU A 36 3.354 -5.533 -18.644 1.00 22.44 H new ATOM 0 HA GLU A 36 2.368 -5.848 -21.370 1.00 12.41 H new ATOM 0 HB2 GLU A 36 0.957 -5.332 -19.281 1.00 74.30 H new ATOM 0 HB3 GLU A 36 1.669 -3.731 -19.308 1.00 74.30 H new ATOM 0 HG2 GLU A 36 0.709 -4.321 -21.950 1.00 35.11 H new ATOM 0 HG3 GLU A 36 -0.558 -4.725 -20.809 1.00 35.11 H new ATOM 264 N GLY A 37 4.420 -3.492 -20.438 1.00 32.03 N ATOM 265 CA GLY A 37 5.259 -2.415 -20.930 1.00 74.02 C ATOM 266 C GLY A 37 6.382 -2.914 -21.817 1.00 3.13 C ATOM 267 O GLY A 37 7.045 -2.127 -22.492 1.00 72.32 O ATOM 0 H GLY A 37 4.619 -3.787 -19.482 1.00 32.03 H new ATOM 0 HA2 GLY A 37 4.646 -1.707 -21.488 1.00 74.02 H new ATOM 0 HA3 GLY A 37 5.682 -1.873 -20.084 1.00 74.02 H new ATOM 271 N ASN A 38 6.598 -4.225 -21.813 1.00 63.34 N ATOM 272 CA ASN A 38 7.651 -4.828 -22.622 1.00 62.13 C ATOM 273 C ASN A 38 7.165 -6.118 -23.276 1.00 33.45 C ATOM 274 O ASN A 38 6.445 -6.904 -22.661 1.00 14.00 O ATOM 275 CB ASN A 38 8.884 -5.112 -21.762 1.00 21.33 C ATOM 276 CG ASN A 38 10.087 -4.292 -22.185 1.00 13.22 C ATOM 277 OD1 ASN A 38 10.737 -4.592 -23.185 1.00 64.24 O ATOM 278 ND2 ASN A 38 10.388 -3.247 -21.421 1.00 20.41 N ATOM 0 H ASN A 38 6.058 -4.890 -21.259 1.00 63.34 H new ATOM 0 HA ASN A 38 7.919 -4.122 -23.408 1.00 62.13 H new ATOM 0 HB2 ASN A 38 8.652 -4.900 -20.718 1.00 21.33 H new ATOM 0 HB3 ASN A 38 9.130 -6.172 -21.824 1.00 21.33 H new ATOM 0 HD21 ASN A 38 11.186 -2.657 -21.656 1.00 20.41 H new ATOM 0 HD22 ASN A 38 9.821 -3.035 -20.600 1.00 20.41 H new ATOM 285 N ARG A 39 7.565 -6.329 -24.526 1.00 55.42 N ATOM 286 CA ARG A 39 7.168 -7.523 -25.263 1.00 43.11 C ATOM 287 C ARG A 39 7.464 -8.784 -24.456 1.00 40.21 C ATOM 288 O ARG A 39 6.592 -9.633 -24.269 1.00 23.02 O ATOM 289 CB ARG A 39 7.897 -7.582 -26.607 1.00 33.52 C ATOM 290 CG ARG A 39 7.566 -8.821 -27.424 1.00 43.12 C ATOM 291 CD ARG A 39 6.064 -9.033 -27.532 1.00 52.20 C ATOM 292 NE ARG A 39 5.389 -7.878 -28.120 1.00 2.04 N ATOM 293 CZ ARG A 39 5.415 -7.595 -29.416 1.00 52.54 C ATOM 294 NH1 ARG A 39 6.077 -8.377 -30.258 1.00 21.13 N ATOM 295 NH2 ARG A 39 4.776 -6.525 -29.876 1.00 74.40 N ATOM 0 H ARG A 39 8.163 -5.689 -25.049 1.00 55.42 H new ATOM 0 HA ARG A 39 6.094 -7.471 -25.441 1.00 43.11 H new ATOM 0 HB2 ARG A 39 7.643 -6.695 -27.188 1.00 33.52 H new ATOM 0 HB3 ARG A 39 8.972 -7.550 -26.430 1.00 33.52 H new ATOM 0 HG2 ARG A 39 7.994 -8.725 -28.422 1.00 43.12 H new ATOM 0 HG3 ARG A 39 8.026 -9.695 -26.963 1.00 43.12 H new ATOM 0 HD2 ARG A 39 5.865 -9.917 -28.139 1.00 52.20 H new ATOM 0 HD3 ARG A 39 5.653 -9.227 -26.541 1.00 52.20 H new ATOM 0 HE ARG A 39 4.870 -7.256 -27.501 1.00 2.04 H new ATOM 0 HH11 ARG A 39 6.569 -9.200 -29.910 1.00 21.13 H new ATOM 0 HH12 ARG A 39 6.094 -8.155 -31.254 1.00 21.13 H new ATOM 0 HH21 ARG A 39 4.265 -5.920 -29.233 1.00 74.40 H new ATOM 0 HH22 ARG A 39 4.796 -6.308 -30.872 1.00 74.40 H new ATOM 309 N VAL A 40 8.700 -8.898 -23.979 1.00 23.21 N ATOM 310 CA VAL A 40 9.111 -10.055 -23.191 1.00 43.22 C ATOM 311 C VAL A 40 9.549 -9.638 -21.791 1.00 75.22 C ATOM 312 O VAL A 40 10.407 -8.771 -21.630 1.00 74.31 O ATOM 313 CB VAL A 40 10.263 -10.816 -23.872 1.00 64.33 C ATOM 314 CG1 VAL A 40 10.721 -11.978 -23.004 1.00 71.54 C ATOM 315 CG2 VAL A 40 9.840 -11.304 -25.250 1.00 12.42 C ATOM 0 H VAL A 40 9.433 -8.204 -24.124 1.00 23.21 H new ATOM 0 HA VAL A 40 8.245 -10.712 -23.117 1.00 43.22 H new ATOM 0 HB VAL A 40 11.103 -10.132 -23.997 1.00 64.33 H new ATOM 0 HG11 VAL A 40 11.536 -12.505 -23.501 1.00 71.54 H new ATOM 0 HG12 VAL A 40 11.067 -11.599 -22.042 1.00 71.54 H new ATOM 0 HG13 VAL A 40 9.889 -12.664 -22.846 1.00 71.54 H new ATOM 0 HG21 VAL A 40 10.667 -11.840 -25.716 1.00 12.42 H new ATOM 0 HG22 VAL A 40 8.984 -11.972 -25.153 1.00 12.42 H new ATOM 0 HG23 VAL A 40 9.565 -10.450 -25.870 1.00 12.42 H new ATOM 325 N MET A 41 8.952 -10.263 -20.781 1.00 72.03 N ATOM 326 CA MET A 41 9.281 -9.958 -19.394 1.00 23.01 C ATOM 327 C MET A 41 9.530 -11.237 -18.600 1.00 52.03 C ATOM 328 O MET A 41 8.671 -12.117 -18.539 1.00 72.45 O ATOM 329 CB MET A 41 8.154 -9.152 -18.744 1.00 65.12 C ATOM 330 CG MET A 41 8.536 -8.544 -17.405 1.00 44.31 C ATOM 331 SD MET A 41 9.978 -7.467 -17.517 1.00 11.11 S ATOM 332 CE MET A 41 9.626 -6.588 -19.038 1.00 20.10 C ATOM 0 H MET A 41 8.239 -10.983 -20.897 1.00 72.03 H new ATOM 0 HA MET A 41 10.194 -9.363 -19.387 1.00 23.01 H new ATOM 0 HB2 MET A 41 7.851 -8.355 -19.422 1.00 65.12 H new ATOM 0 HB3 MET A 41 7.288 -9.800 -18.606 1.00 65.12 H new ATOM 0 HG2 MET A 41 7.692 -7.975 -17.015 1.00 44.31 H new ATOM 0 HG3 MET A 41 8.739 -9.343 -16.692 1.00 44.31 H new ATOM 0 HE1 MET A 41 10.123 -5.618 -19.021 1.00 20.10 H new ATOM 0 HE2 MET A 41 9.991 -7.168 -19.886 1.00 20.10 H new ATOM 0 HE3 MET A 41 8.550 -6.443 -19.134 1.00 20.10 H new ATOM 342 N ILE A 42 10.709 -11.333 -17.995 1.00 21.31 N ATOM 343 CA ILE A 42 11.069 -12.505 -17.206 1.00 10.44 C ATOM 344 C ILE A 42 11.754 -12.100 -15.904 1.00 34.42 C ATOM 345 O ILE A 42 12.589 -11.197 -15.884 1.00 11.55 O ATOM 346 CB ILE A 42 11.999 -13.448 -17.991 1.00 22.04 C ATOM 347 CG1 ILE A 42 13.177 -12.667 -18.577 1.00 43.02 C ATOM 348 CG2 ILE A 42 11.226 -14.158 -19.092 1.00 62.33 C ATOM 349 CD1 ILE A 42 12.860 -11.994 -19.894 1.00 70.50 C ATOM 0 H ILE A 42 11.431 -10.614 -18.036 1.00 21.31 H new ATOM 0 HA ILE A 42 10.142 -13.031 -16.978 1.00 10.44 H new ATOM 0 HB ILE A 42 12.391 -14.200 -17.307 1.00 22.04 H new ATOM 0 HG12 ILE A 42 13.494 -11.911 -17.859 1.00 43.02 H new ATOM 0 HG13 ILE A 42 14.018 -13.346 -18.718 1.00 43.02 H new ATOM 0 HG21 ILE A 42 11.897 -14.821 -19.638 1.00 62.33 H new ATOM 0 HG22 ILE A 42 10.418 -14.742 -18.651 1.00 62.33 H new ATOM 0 HG23 ILE A 42 10.808 -13.420 -19.777 1.00 62.33 H new ATOM 0 HD11 ILE A 42 13.740 -11.459 -20.250 1.00 70.50 H new ATOM 0 HD12 ILE A 42 12.571 -12.747 -20.627 1.00 70.50 H new ATOM 0 HD13 ILE A 42 12.040 -11.290 -19.755 1.00 70.50 H new ATOM 361 N PHE A 43 11.395 -12.778 -14.819 1.00 33.53 N ATOM 362 CA PHE A 43 11.975 -12.492 -13.512 1.00 11.20 C ATOM 363 C PHE A 43 12.960 -13.583 -13.102 1.00 71.12 C ATOM 364 O PHE A 43 12.783 -14.753 -13.442 1.00 53.10 O ATOM 365 CB PHE A 43 10.873 -12.361 -12.459 1.00 34.34 C ATOM 366 CG PHE A 43 9.979 -11.174 -12.670 1.00 73.11 C ATOM 367 CD1 PHE A 43 9.143 -11.107 -13.773 1.00 15.10 C ATOM 368 CD2 PHE A 43 9.973 -10.123 -11.766 1.00 23.41 C ATOM 369 CE1 PHE A 43 8.317 -10.016 -13.970 1.00 4.30 C ATOM 370 CE2 PHE A 43 9.151 -9.030 -11.957 1.00 62.04 C ATOM 371 CZ PHE A 43 8.323 -8.975 -13.062 1.00 53.04 C ATOM 0 H PHE A 43 10.705 -13.529 -14.819 1.00 33.53 H new ATOM 0 HA PHE A 43 12.515 -11.548 -13.581 1.00 11.20 H new ATOM 0 HB2 PHE A 43 10.267 -13.267 -12.464 1.00 34.34 H new ATOM 0 HB3 PHE A 43 11.331 -12.290 -11.473 1.00 34.34 H new ATOM 0 HD1 PHE A 43 9.137 -11.917 -14.487 1.00 15.10 H new ATOM 0 HD2 PHE A 43 10.619 -10.160 -10.902 1.00 23.41 H new ATOM 0 HE1 PHE A 43 7.668 -9.978 -14.832 1.00 4.30 H new ATOM 0 HE2 PHE A 43 9.155 -8.219 -11.244 1.00 62.04 H new ATOM 0 HZ PHE A 43 7.682 -8.120 -13.215 1.00 53.04 H new ATOM 381 N SER A 44 13.998 -13.191 -12.371 1.00 41.23 N ATOM 382 CA SER A 44 15.015 -14.134 -11.919 1.00 33.04 C ATOM 383 C SER A 44 15.616 -13.687 -10.590 1.00 21.32 C ATOM 384 O SER A 44 15.085 -12.801 -9.920 1.00 62.24 O ATOM 385 CB SER A 44 16.117 -14.272 -12.970 1.00 55.30 C ATOM 386 OG SER A 44 16.318 -15.629 -13.324 1.00 13.21 O ATOM 0 H SER A 44 14.157 -12.227 -12.079 1.00 41.23 H new ATOM 0 HA SER A 44 14.538 -15.104 -11.775 1.00 33.04 H new ATOM 0 HB2 SER A 44 15.852 -13.697 -13.857 1.00 55.30 H new ATOM 0 HB3 SER A 44 17.046 -13.852 -12.584 1.00 55.30 H new ATOM 0 HG SER A 44 17.194 -15.926 -12.999 1.00 13.21 H new ATOM 392 N LYS A 45 16.729 -14.309 -10.213 1.00 54.00 N ATOM 393 CA LYS A 45 17.406 -13.977 -8.966 1.00 14.42 C ATOM 394 C LYS A 45 18.919 -14.094 -9.119 1.00 41.42 C ATOM 395 O LYS A 45 19.427 -14.284 -10.225 1.00 32.24 O ATOM 396 CB LYS A 45 16.925 -14.896 -7.840 1.00 53.30 C ATOM 397 CG LYS A 45 15.704 -14.370 -7.105 1.00 70.44 C ATOM 398 CD LYS A 45 15.822 -14.582 -5.606 1.00 22.05 C ATOM 399 CE LYS A 45 14.463 -14.516 -4.924 1.00 4.42 C ATOM 400 NZ LYS A 45 14.582 -14.587 -3.441 1.00 72.25 N ATOM 0 H LYS A 45 17.181 -15.046 -10.754 1.00 54.00 H new ATOM 0 HA LYS A 45 17.163 -12.945 -8.714 1.00 14.42 H new ATOM 0 HB2 LYS A 45 16.694 -15.876 -8.256 1.00 53.30 H new ATOM 0 HB3 LYS A 45 17.736 -15.037 -7.126 1.00 53.30 H new ATOM 0 HG2 LYS A 45 15.582 -13.307 -7.315 1.00 70.44 H new ATOM 0 HG3 LYS A 45 14.811 -14.873 -7.475 1.00 70.44 H new ATOM 0 HD2 LYS A 45 16.282 -15.550 -5.410 1.00 22.05 H new ATOM 0 HD3 LYS A 45 16.481 -13.824 -5.181 1.00 22.05 H new ATOM 0 HE2 LYS A 45 13.961 -13.590 -5.204 1.00 4.42 H new ATOM 0 HE3 LYS A 45 13.839 -15.337 -5.278 1.00 4.42 H new ATOM 0 HZ1 LYS A 45 13.680 -14.910 -3.035 1.00 72.25 H new ATOM 0 HZ2 LYS A 45 15.336 -15.256 -3.185 1.00 72.25 H new ATOM 0 HZ3 LYS A 45 14.813 -13.645 -3.066 1.00 72.25 H new ATOM 414 N SER A 46 19.633 -13.979 -8.004 1.00 71.44 N ATOM 415 CA SER A 46 21.088 -14.070 -8.017 1.00 63.31 C ATOM 416 C SER A 46 21.541 -15.521 -8.151 1.00 45.42 C ATOM 417 O SER A 46 22.348 -15.853 -9.021 1.00 64.31 O ATOM 418 CB SER A 46 21.670 -13.459 -6.740 1.00 14.30 C ATOM 419 OG SER A 46 21.747 -12.047 -6.840 1.00 31.24 O ATOM 0 H SER A 46 19.228 -13.823 -7.081 1.00 71.44 H new ATOM 0 HA SER A 46 21.454 -13.512 -8.879 1.00 63.31 H new ATOM 0 HB2 SER A 46 21.050 -13.733 -5.886 1.00 14.30 H new ATOM 0 HB3 SER A 46 22.663 -13.869 -6.557 1.00 14.30 H new ATOM 0 HG SER A 46 22.120 -11.680 -6.011 1.00 31.24 H new ATOM 425 N TYR A 47 21.017 -16.380 -7.286 1.00 34.42 N ATOM 426 CA TYR A 47 21.368 -17.796 -7.305 1.00 51.21 C ATOM 427 C TYR A 47 20.117 -18.667 -7.332 1.00 33.21 C ATOM 428 O TYR A 47 19.809 -19.361 -6.362 1.00 14.21 O ATOM 429 CB TYR A 47 22.222 -18.147 -6.085 1.00 50.24 C ATOM 430 CG TYR A 47 21.960 -17.263 -4.887 1.00 4.11 C ATOM 431 CD1 TYR A 47 20.686 -17.156 -4.344 1.00 22.22 C ATOM 432 CD2 TYR A 47 22.987 -16.535 -4.299 1.00 30.51 C ATOM 433 CE1 TYR A 47 20.443 -16.349 -3.249 1.00 55.42 C ATOM 434 CE2 TYR A 47 22.753 -15.727 -3.203 1.00 12.40 C ATOM 435 CZ TYR A 47 21.478 -15.637 -2.682 1.00 44.42 C ATOM 436 OH TYR A 47 21.240 -14.832 -1.592 1.00 31.22 O ATOM 0 H TYR A 47 20.347 -16.122 -6.562 1.00 34.42 H new ATOM 0 HA TYR A 47 21.943 -17.990 -8.211 1.00 51.21 H new ATOM 0 HB2 TYR A 47 22.035 -19.185 -5.808 1.00 50.24 H new ATOM 0 HB3 TYR A 47 23.275 -18.074 -6.356 1.00 50.24 H new ATOM 0 HD1 TYR A 47 19.872 -17.713 -4.785 1.00 22.22 H new ATOM 0 HD2 TYR A 47 23.985 -16.602 -4.706 1.00 30.51 H new ATOM 0 HE1 TYR A 47 19.446 -16.276 -2.839 1.00 55.42 H new ATOM 0 HE2 TYR A 47 23.563 -15.169 -2.757 1.00 12.40 H new ATOM 0 HH TYR A 47 22.076 -14.402 -1.314 1.00 31.22 H new ATOM 446 N CYS A 48 19.399 -18.627 -8.450 1.00 2.13 N ATOM 447 CA CYS A 48 18.180 -19.413 -8.605 1.00 1.12 C ATOM 448 C CYS A 48 18.083 -19.992 -10.012 1.00 15.34 C ATOM 449 O CYS A 48 17.659 -19.325 -10.956 1.00 64.21 O ATOM 450 CB CYS A 48 16.952 -18.550 -8.308 1.00 63.41 C ATOM 451 SG CYS A 48 16.814 -18.033 -6.581 1.00 20.11 S ATOM 0 H CYS A 48 19.640 -18.059 -9.262 1.00 2.13 H new ATOM 0 HA CYS A 48 18.215 -20.239 -7.894 1.00 1.12 H new ATOM 0 HB2 CYS A 48 16.983 -17.663 -8.940 1.00 63.41 H new ATOM 0 HB3 CYS A 48 16.055 -19.106 -8.583 1.00 63.41 H new ATOM 0 HG CYS A 48 17.857 -18.442 -5.921 1.00 20.11 H new ATOM 457 N PRO A 49 18.484 -21.263 -10.158 1.00 20.43 N ATOM 458 CA PRO A 49 18.452 -21.960 -11.448 1.00 32.43 C ATOM 459 C PRO A 49 17.030 -22.253 -11.913 1.00 52.22 C ATOM 460 O PRO A 49 16.073 -22.098 -11.153 1.00 41.43 O ATOM 461 CB PRO A 49 19.200 -23.265 -11.164 1.00 5.24 C ATOM 462 CG PRO A 49 19.036 -23.486 -9.700 1.00 54.30 C ATOM 463 CD PRO A 49 18.999 -22.119 -9.076 1.00 3.34 C ATOM 0 HA PRO A 49 18.895 -21.363 -12.245 1.00 32.43 H new ATOM 0 HB2 PRO A 49 18.784 -24.093 -11.738 1.00 5.24 H new ATOM 0 HB3 PRO A 49 20.252 -23.185 -11.437 1.00 5.24 H new ATOM 0 HG2 PRO A 49 18.119 -24.036 -9.489 1.00 54.30 H new ATOM 0 HG3 PRO A 49 19.861 -24.075 -9.300 1.00 54.30 H new ATOM 0 HD2 PRO A 49 18.350 -22.094 -8.201 1.00 3.34 H new ATOM 0 HD3 PRO A 49 19.988 -21.800 -8.748 1.00 3.34 H new ATOM 471 N HIS A 50 16.898 -22.678 -13.166 1.00 0.54 N ATOM 472 CA HIS A 50 15.591 -22.993 -13.732 1.00 71.23 C ATOM 473 C HIS A 50 14.842 -21.720 -14.112 1.00 32.03 C ATOM 474 O HIS A 50 14.344 -21.591 -15.230 1.00 53.43 O ATOM 475 CB HIS A 50 14.764 -23.808 -12.738 1.00 23.21 C ATOM 476 CG HIS A 50 15.547 -24.879 -12.042 1.00 3.31 C ATOM 477 ND1 HIS A 50 15.493 -25.086 -10.680 1.00 22.13 N ATOM 478 CD2 HIS A 50 16.406 -25.804 -12.529 1.00 21.42 C ATOM 479 CE1 HIS A 50 16.287 -26.093 -10.359 1.00 12.33 C ATOM 480 NE2 HIS A 50 16.852 -26.547 -11.462 1.00 54.52 N ATOM 0 H HIS A 50 17.679 -22.812 -13.808 1.00 0.54 H new ATOM 0 HA HIS A 50 15.747 -23.585 -14.634 1.00 71.23 H new ATOM 0 HB2 HIS A 50 14.342 -23.135 -11.992 1.00 23.21 H new ATOM 0 HB3 HIS A 50 13.926 -24.266 -13.264 1.00 23.21 H new ATOM 0 HD2 HIS A 50 16.689 -25.934 -13.563 1.00 21.42 H new ATOM 0 HE1 HIS A 50 16.446 -26.479 -9.363 1.00 12.33 H new ATOM 0 HE2 HIS A 50 17.512 -27.323 -11.514 1.00 54.52 H new ATOM 488 N SER A 51 14.766 -20.781 -13.173 1.00 73.33 N ATOM 489 CA SER A 51 14.073 -19.519 -13.408 1.00 74.44 C ATOM 490 C SER A 51 14.902 -18.603 -14.303 1.00 14.31 C ATOM 491 O SER A 51 14.363 -17.747 -15.006 1.00 2.15 O ATOM 492 CB SER A 51 13.775 -18.822 -12.079 1.00 63.24 C ATOM 493 OG SER A 51 13.764 -17.414 -12.235 1.00 41.10 O ATOM 0 H SER A 51 15.176 -20.870 -12.243 1.00 73.33 H new ATOM 0 HA SER A 51 13.132 -19.737 -13.914 1.00 74.44 H new ATOM 0 HB2 SER A 51 12.810 -19.157 -11.697 1.00 63.24 H new ATOM 0 HB3 SER A 51 14.525 -19.104 -11.340 1.00 63.24 H new ATOM 0 HG SER A 51 12.924 -17.138 -12.658 1.00 41.10 H new ATOM 499 N THR A 52 16.218 -18.789 -14.272 1.00 13.14 N ATOM 500 CA THR A 52 17.123 -17.979 -15.078 1.00 3.21 C ATOM 501 C THR A 52 17.268 -18.551 -16.483 1.00 5.24 C ATOM 502 O THR A 52 17.196 -17.820 -17.472 1.00 21.55 O ATOM 503 CB THR A 52 18.517 -17.880 -14.429 1.00 70.52 C ATOM 504 OG1 THR A 52 18.450 -17.077 -13.245 1.00 21.31 O ATOM 505 CG2 THR A 52 19.524 -17.280 -15.398 1.00 51.24 C ATOM 0 H THR A 52 16.681 -19.493 -13.697 1.00 13.14 H new ATOM 0 HA THR A 52 16.687 -16.982 -15.138 1.00 3.21 H new ATOM 0 HB THR A 52 18.844 -18.886 -14.167 1.00 70.52 H new ATOM 0 HG1 THR A 52 18.248 -17.647 -12.474 1.00 21.31 H new ATOM 0 HG21 THR A 52 20.500 -17.220 -14.917 1.00 51.24 H new ATOM 0 HG22 THR A 52 19.594 -17.909 -16.285 1.00 51.24 H new ATOM 0 HG23 THR A 52 19.200 -16.280 -15.687 1.00 51.24 H new ATOM 513 N ARG A 53 17.474 -19.861 -16.566 1.00 24.45 N ATOM 514 CA ARG A 53 17.631 -20.531 -17.850 1.00 73.01 C ATOM 515 C ARG A 53 16.478 -20.184 -18.789 1.00 32.05 C ATOM 516 O ARG A 53 16.690 -19.867 -19.959 1.00 30.11 O ATOM 517 CB ARG A 53 17.704 -22.047 -17.655 1.00 41.31 C ATOM 518 CG ARG A 53 16.993 -22.836 -18.742 1.00 22.33 C ATOM 519 CD ARG A 53 17.655 -22.639 -20.096 1.00 73.31 C ATOM 520 NE ARG A 53 18.047 -23.908 -20.703 1.00 70.14 N ATOM 521 CZ ARG A 53 17.186 -24.756 -21.255 1.00 11.15 C ATOM 522 NH1 ARG A 53 15.891 -24.472 -21.275 1.00 0.02 N ATOM 523 NH2 ARG A 53 17.620 -25.891 -21.787 1.00 72.33 N ATOM 0 H ARG A 53 17.536 -20.480 -15.758 1.00 24.45 H new ATOM 0 HA ARG A 53 18.562 -20.185 -18.300 1.00 73.01 H new ATOM 0 HB2 ARG A 53 18.750 -22.351 -17.623 1.00 41.31 H new ATOM 0 HB3 ARG A 53 17.268 -22.302 -16.689 1.00 41.31 H new ATOM 0 HG2 ARG A 53 16.996 -23.895 -18.485 1.00 22.33 H new ATOM 0 HG3 ARG A 53 15.950 -22.524 -18.797 1.00 22.33 H new ATOM 0 HD2 ARG A 53 16.969 -22.115 -20.762 1.00 73.31 H new ATOM 0 HD3 ARG A 53 18.534 -22.005 -19.981 1.00 73.31 H new ATOM 0 HE ARG A 53 19.036 -24.157 -20.703 1.00 70.14 H new ATOM 0 HH11 ARG A 53 15.554 -23.601 -20.866 1.00 0.02 H new ATOM 0 HH12 ARG A 53 15.232 -25.125 -21.699 1.00 0.02 H new ATOM 0 HH21 ARG A 53 18.615 -26.113 -21.772 1.00 72.33 H new ATOM 0 HH22 ARG A 53 16.958 -26.542 -22.211 1.00 72.33 H new ATOM 537 N VAL A 54 15.257 -20.246 -18.266 1.00 43.40 N ATOM 538 CA VAL A 54 14.072 -19.937 -19.055 1.00 54.04 C ATOM 539 C VAL A 54 14.234 -18.616 -19.798 1.00 55.21 C ATOM 540 O VAL A 54 13.632 -18.404 -20.851 1.00 20.41 O ATOM 541 CB VAL A 54 12.812 -19.865 -18.171 1.00 42.41 C ATOM 542 CG1 VAL A 54 12.819 -18.594 -17.335 1.00 22.15 C ATOM 543 CG2 VAL A 54 11.557 -19.943 -19.027 1.00 15.34 C ATOM 0 H VAL A 54 15.064 -20.508 -17.299 1.00 43.40 H new ATOM 0 HA VAL A 54 13.955 -20.744 -19.778 1.00 54.04 H new ATOM 0 HB VAL A 54 12.815 -20.718 -17.492 1.00 42.41 H new ATOM 0 HG11 VAL A 54 11.922 -18.560 -16.717 1.00 22.15 H new ATOM 0 HG12 VAL A 54 13.701 -18.584 -16.695 1.00 22.15 H new ATOM 0 HG13 VAL A 54 12.839 -17.726 -17.993 1.00 22.15 H new ATOM 0 HG21 VAL A 54 10.676 -19.891 -18.387 1.00 15.34 H new ATOM 0 HG22 VAL A 54 11.544 -19.111 -19.731 1.00 15.34 H new ATOM 0 HG23 VAL A 54 11.550 -20.884 -19.578 1.00 15.34 H new ATOM 553 N LYS A 55 15.053 -17.728 -19.243 1.00 75.55 N ATOM 554 CA LYS A 55 15.297 -16.427 -19.854 1.00 11.54 C ATOM 555 C LYS A 55 16.213 -16.558 -21.067 1.00 34.01 C ATOM 556 O LYS A 55 15.982 -15.929 -22.100 1.00 33.44 O ATOM 557 CB LYS A 55 15.921 -15.472 -18.833 1.00 53.51 C ATOM 558 CG LYS A 55 15.206 -15.463 -17.493 1.00 22.54 C ATOM 559 CD LYS A 55 16.026 -14.753 -16.428 1.00 62.32 C ATOM 560 CE LYS A 55 16.284 -13.301 -16.799 1.00 74.45 C ATOM 561 NZ LYS A 55 17.607 -13.124 -17.458 1.00 4.13 N ATOM 0 H LYS A 55 15.559 -17.886 -18.371 1.00 75.55 H new ATOM 0 HA LYS A 55 14.340 -16.024 -20.185 1.00 11.54 H new ATOM 0 HB2 LYS A 55 16.963 -15.750 -18.677 1.00 53.51 H new ATOM 0 HB3 LYS A 55 15.919 -14.462 -19.244 1.00 53.51 H new ATOM 0 HG2 LYS A 55 14.240 -14.970 -17.598 1.00 22.54 H new ATOM 0 HG3 LYS A 55 15.008 -16.488 -17.178 1.00 22.54 H new ATOM 0 HD2 LYS A 55 15.502 -14.798 -15.473 1.00 62.32 H new ATOM 0 HD3 LYS A 55 16.976 -15.270 -16.294 1.00 62.32 H new ATOM 0 HE2 LYS A 55 15.496 -12.951 -17.466 1.00 74.45 H new ATOM 0 HE3 LYS A 55 16.240 -12.683 -15.902 1.00 74.45 H new ATOM 0 HZ1 LYS A 55 17.542 -12.369 -18.170 1.00 4.13 H new ATOM 0 HZ2 LYS A 55 18.319 -12.866 -16.745 1.00 4.13 H new ATOM 0 HZ3 LYS A 55 17.886 -14.013 -17.920 1.00 4.13 H new ATOM 575 N GLU A 56 17.249 -17.379 -20.935 1.00 32.22 N ATOM 576 CA GLU A 56 18.198 -17.593 -22.022 1.00 54.33 C ATOM 577 C GLU A 56 17.471 -17.955 -23.314 1.00 24.22 C ATOM 578 O GLU A 56 17.909 -17.597 -24.408 1.00 21.35 O ATOM 579 CB GLU A 56 19.189 -18.698 -21.654 1.00 2.23 C ATOM 580 CG GLU A 56 20.592 -18.460 -22.189 1.00 10.30 C ATOM 581 CD GLU A 56 21.031 -19.529 -23.170 1.00 61.41 C ATOM 582 OE1 GLU A 56 20.192 -19.965 -23.985 1.00 63.45 O ATOM 583 OE2 GLU A 56 22.213 -19.929 -23.122 1.00 74.14 O ATOM 0 H GLU A 56 17.453 -17.907 -20.087 1.00 32.22 H new ATOM 0 HA GLU A 56 18.745 -16.664 -22.181 1.00 54.33 H new ATOM 0 HB2 GLU A 56 19.233 -18.788 -20.569 1.00 2.23 H new ATOM 0 HB3 GLU A 56 18.819 -19.649 -22.038 1.00 2.23 H new ATOM 0 HG2 GLU A 56 20.630 -17.486 -22.677 1.00 10.30 H new ATOM 0 HG3 GLU A 56 21.294 -18.427 -21.356 1.00 10.30 H new ATOM 590 N LEU A 57 16.359 -18.670 -23.180 1.00 54.21 N ATOM 591 CA LEU A 57 15.570 -19.082 -24.336 1.00 24.43 C ATOM 592 C LEU A 57 15.271 -17.895 -25.243 1.00 41.34 C ATOM 593 O LEU A 57 15.614 -17.902 -26.426 1.00 54.34 O ATOM 594 CB LEU A 57 14.262 -19.733 -23.880 1.00 4.54 C ATOM 595 CG LEU A 57 14.227 -21.261 -23.909 1.00 11.42 C ATOM 596 CD1 LEU A 57 15.397 -21.837 -23.125 1.00 40.41 C ATOM 597 CD2 LEU A 57 12.907 -21.775 -23.354 1.00 12.22 C ATOM 0 H LEU A 57 15.983 -18.976 -22.282 1.00 54.21 H new ATOM 0 HA LEU A 57 16.153 -19.809 -24.902 1.00 24.43 H new ATOM 0 HB2 LEU A 57 14.051 -19.404 -22.862 1.00 4.54 H new ATOM 0 HB3 LEU A 57 13.455 -19.359 -24.510 1.00 4.54 H new ATOM 0 HG LEU A 57 14.314 -21.587 -24.945 1.00 11.42 H new ATOM 0 HD11 LEU A 57 15.355 -22.926 -23.157 1.00 40.41 H new ATOM 0 HD12 LEU A 57 16.334 -21.497 -23.566 1.00 40.41 H new ATOM 0 HD13 LEU A 57 15.341 -21.502 -22.089 1.00 40.41 H new ATOM 0 HD21 LEU A 57 12.900 -22.865 -23.382 1.00 12.22 H new ATOM 0 HD22 LEU A 57 12.790 -21.438 -22.324 1.00 12.22 H new ATOM 0 HD23 LEU A 57 12.084 -21.391 -23.957 1.00 12.22 H new ATOM 609 N PHE A 58 14.633 -16.873 -24.683 1.00 32.43 N ATOM 610 CA PHE A 58 14.289 -15.677 -25.441 1.00 51.41 C ATOM 611 C PHE A 58 15.496 -15.158 -26.217 1.00 73.40 C ATOM 612 O PHE A 58 15.409 -14.892 -27.417 1.00 32.45 O ATOM 613 CB PHE A 58 13.765 -14.586 -24.505 1.00 32.34 C ATOM 614 CG PHE A 58 12.425 -14.904 -23.904 1.00 25.14 C ATOM 615 CD1 PHE A 58 11.262 -14.726 -24.637 1.00 43.11 C ATOM 616 CD2 PHE A 58 12.328 -15.381 -22.607 1.00 61.22 C ATOM 617 CE1 PHE A 58 10.029 -15.017 -24.087 1.00 2.13 C ATOM 618 CE2 PHE A 58 11.097 -15.675 -22.052 1.00 34.45 C ATOM 619 CZ PHE A 58 9.946 -15.494 -22.793 1.00 52.13 C ATOM 0 H PHE A 58 14.344 -16.850 -23.705 1.00 32.43 H new ATOM 0 HA PHE A 58 13.507 -15.942 -26.153 1.00 51.41 H new ATOM 0 HB2 PHE A 58 14.486 -14.430 -23.703 1.00 32.34 H new ATOM 0 HB3 PHE A 58 13.694 -13.649 -25.057 1.00 32.34 H new ATOM 0 HD1 PHE A 58 11.321 -14.356 -25.650 1.00 43.11 H new ATOM 0 HD2 PHE A 58 13.225 -15.525 -22.023 1.00 61.22 H new ATOM 0 HE1 PHE A 58 9.130 -14.872 -24.668 1.00 2.13 H new ATOM 0 HE2 PHE A 58 11.035 -16.046 -21.040 1.00 34.45 H new ATOM 0 HZ PHE A 58 8.983 -15.725 -22.362 1.00 52.13 H new ATOM 629 N SER A 59 16.622 -15.019 -25.525 1.00 13.15 N ATOM 630 CA SER A 59 17.846 -14.528 -26.147 1.00 73.42 C ATOM 631 C SER A 59 18.178 -15.334 -27.400 1.00 44.42 C ATOM 632 O SER A 59 18.414 -14.769 -28.469 1.00 22.41 O ATOM 633 CB SER A 59 19.010 -14.601 -25.157 1.00 72.31 C ATOM 634 OG SER A 59 19.782 -13.412 -25.189 1.00 34.43 O ATOM 0 H SER A 59 16.712 -15.239 -24.533 1.00 13.15 H new ATOM 0 HA SER A 59 17.688 -13.489 -26.435 1.00 73.42 H new ATOM 0 HB2 SER A 59 18.625 -14.762 -24.150 1.00 72.31 H new ATOM 0 HB3 SER A 59 19.643 -15.456 -25.397 1.00 72.31 H new ATOM 0 HG SER A 59 20.519 -13.483 -24.546 1.00 34.43 H new ATOM 640 N SER A 60 18.195 -16.655 -27.259 1.00 74.14 N ATOM 641 CA SER A 60 18.502 -17.539 -28.378 1.00 53.20 C ATOM 642 C SER A 60 17.348 -17.572 -29.376 1.00 22.31 C ATOM 643 O SER A 60 17.468 -18.142 -30.462 1.00 55.10 O ATOM 644 CB SER A 60 18.797 -18.953 -27.873 1.00 14.50 C ATOM 645 OG SER A 60 19.043 -19.838 -28.951 1.00 42.25 O ATOM 0 H SER A 60 18.000 -17.137 -26.382 1.00 74.14 H new ATOM 0 HA SER A 60 19.386 -17.151 -28.884 1.00 53.20 H new ATOM 0 HB2 SER A 60 19.662 -18.933 -27.210 1.00 14.50 H new ATOM 0 HB3 SER A 60 17.954 -19.316 -27.285 1.00 14.50 H new ATOM 0 HG SER A 60 18.506 -19.568 -29.725 1.00 42.25 H new ATOM 651 N LEU A 61 16.232 -16.959 -29.000 1.00 71.04 N ATOM 652 CA LEU A 61 15.055 -16.918 -29.862 1.00 1.15 C ATOM 653 C LEU A 61 15.082 -15.688 -30.763 1.00 52.03 C ATOM 654 O LEU A 61 14.085 -15.351 -31.401 1.00 4.12 O ATOM 655 CB LEU A 61 13.780 -16.916 -29.016 1.00 13.24 C ATOM 656 CG LEU A 61 12.644 -17.811 -29.513 1.00 30.33 C ATOM 657 CD1 LEU A 61 12.472 -17.669 -31.017 1.00 70.11 C ATOM 658 CD2 LEU A 61 12.906 -19.263 -29.138 1.00 55.41 C ATOM 0 H LEU A 61 16.116 -16.484 -28.105 1.00 71.04 H new ATOM 0 HA LEU A 61 15.065 -17.807 -30.492 1.00 1.15 H new ATOM 0 HB2 LEU A 61 14.040 -17.222 -28.002 1.00 13.24 H new ATOM 0 HB3 LEU A 61 13.410 -15.893 -28.955 1.00 13.24 H new ATOM 0 HG LEU A 61 11.719 -17.494 -29.031 1.00 30.33 H new ATOM 0 HD11 LEU A 61 11.659 -18.313 -31.353 1.00 70.11 H new ATOM 0 HD12 LEU A 61 12.238 -16.633 -31.260 1.00 70.11 H new ATOM 0 HD13 LEU A 61 13.396 -17.959 -31.518 1.00 70.11 H new ATOM 0 HD21 LEU A 61 12.088 -19.886 -29.500 1.00 55.41 H new ATOM 0 HD22 LEU A 61 13.841 -19.593 -29.592 1.00 55.41 H new ATOM 0 HD23 LEU A 61 12.978 -19.352 -28.054 1.00 55.41 H new ATOM 670 N GLY A 62 16.233 -15.023 -30.812 1.00 54.12 N ATOM 671 CA GLY A 62 16.369 -13.839 -31.641 1.00 13.01 C ATOM 672 C GLY A 62 15.484 -12.700 -31.175 1.00 54.41 C ATOM 673 O GLY A 62 15.324 -11.700 -31.876 1.00 71.52 O ATOM 0 H GLY A 62 17.072 -15.283 -30.293 1.00 54.12 H new ATOM 0 HA2 GLY A 62 17.409 -13.513 -31.635 1.00 13.01 H new ATOM 0 HA3 GLY A 62 16.120 -14.090 -32.672 1.00 13.01 H new ATOM 677 N VAL A 63 14.905 -12.850 -29.988 1.00 53.34 N ATOM 678 CA VAL A 63 14.030 -11.826 -29.429 1.00 74.24 C ATOM 679 C VAL A 63 14.658 -11.177 -28.201 1.00 74.44 C ATOM 680 O VAL A 63 15.351 -11.834 -27.425 1.00 4.22 O ATOM 681 CB VAL A 63 12.657 -12.410 -29.043 1.00 42.32 C ATOM 682 CG1 VAL A 63 12.698 -12.982 -27.634 1.00 52.13 C ATOM 683 CG2 VAL A 63 11.574 -11.348 -29.165 1.00 71.52 C ATOM 0 H VAL A 63 15.026 -13.671 -29.395 1.00 53.34 H new ATOM 0 HA VAL A 63 13.891 -11.072 -30.203 1.00 74.24 H new ATOM 0 HB VAL A 63 12.419 -13.220 -29.732 1.00 42.32 H new ATOM 0 HG11 VAL A 63 11.720 -13.390 -27.378 1.00 52.13 H new ATOM 0 HG12 VAL A 63 13.446 -13.774 -27.584 1.00 52.13 H new ATOM 0 HG13 VAL A 63 12.958 -12.193 -26.928 1.00 52.13 H new ATOM 0 HG21 VAL A 63 10.611 -11.777 -28.889 1.00 71.52 H new ATOM 0 HG22 VAL A 63 11.804 -10.515 -28.500 1.00 71.52 H new ATOM 0 HG23 VAL A 63 11.530 -10.990 -30.193 1.00 71.52 H new ATOM 693 N VAL A 64 14.409 -9.882 -28.030 1.00 44.00 N ATOM 694 CA VAL A 64 14.949 -9.144 -26.895 1.00 3.43 C ATOM 695 C VAL A 64 14.001 -9.200 -25.702 1.00 55.22 C ATOM 696 O VAL A 64 12.787 -9.326 -25.866 1.00 44.11 O ATOM 697 CB VAL A 64 15.214 -7.671 -27.258 1.00 52.35 C ATOM 698 CG1 VAL A 64 15.960 -6.969 -26.134 1.00 71.20 C ATOM 699 CG2 VAL A 64 15.988 -7.575 -28.564 1.00 71.31 C ATOM 0 H VAL A 64 13.837 -9.323 -28.663 1.00 44.00 H new ATOM 0 HA VAL A 64 15.893 -9.620 -26.628 1.00 3.43 H new ATOM 0 HB VAL A 64 14.255 -7.171 -27.393 1.00 52.35 H new ATOM 0 HG11 VAL A 64 16.138 -5.929 -26.409 1.00 71.20 H new ATOM 0 HG12 VAL A 64 15.363 -7.006 -25.223 1.00 71.20 H new ATOM 0 HG13 VAL A 64 16.914 -7.468 -25.964 1.00 71.20 H new ATOM 0 HG21 VAL A 64 16.166 -6.527 -28.805 1.00 71.31 H new ATOM 0 HG22 VAL A 64 16.942 -8.091 -28.460 1.00 71.31 H new ATOM 0 HG23 VAL A 64 15.411 -8.038 -29.364 1.00 71.31 H new ATOM 709 N TYR A 65 14.563 -9.103 -24.502 1.00 12.00 N ATOM 710 CA TYR A 65 13.767 -9.145 -23.281 1.00 31.21 C ATOM 711 C TYR A 65 14.419 -8.315 -22.178 1.00 74.12 C ATOM 712 O TYR A 65 15.517 -7.788 -22.350 1.00 33.13 O ATOM 713 CB TYR A 65 13.591 -10.589 -22.811 1.00 24.31 C ATOM 714 CG TYR A 65 14.893 -11.277 -22.467 1.00 31.40 C ATOM 715 CD1 TYR A 65 15.515 -11.059 -21.244 1.00 13.03 C ATOM 716 CD2 TYR A 65 15.501 -12.146 -23.365 1.00 34.22 C ATOM 717 CE1 TYR A 65 16.705 -11.685 -20.925 1.00 51.15 C ATOM 718 CE2 TYR A 65 16.689 -12.778 -23.054 1.00 50.44 C ATOM 719 CZ TYR A 65 17.288 -12.544 -21.835 1.00 4.22 C ATOM 720 OH TYR A 65 18.472 -13.170 -21.521 1.00 23.30 O ATOM 0 H TYR A 65 15.566 -8.995 -24.349 1.00 12.00 H new ATOM 0 HA TYR A 65 12.788 -8.720 -23.501 1.00 31.21 H new ATOM 0 HB2 TYR A 65 12.941 -10.601 -21.936 1.00 24.31 H new ATOM 0 HB3 TYR A 65 13.085 -11.157 -23.591 1.00 24.31 H new ATOM 0 HD1 TYR A 65 15.060 -10.388 -20.530 1.00 13.03 H new ATOM 0 HD2 TYR A 65 15.037 -12.330 -24.322 1.00 34.22 H new ATOM 0 HE1 TYR A 65 17.176 -11.503 -19.970 1.00 51.15 H new ATOM 0 HE2 TYR A 65 17.146 -13.452 -23.763 1.00 50.44 H new ATOM 0 HH TYR A 65 18.626 -13.910 -22.145 1.00 23.30 H new ATOM 730 N ASN A 66 13.732 -8.205 -21.046 1.00 23.23 N ATOM 731 CA ASN A 66 14.242 -7.440 -19.914 1.00 24.31 C ATOM 732 C ASN A 66 14.735 -8.368 -18.808 1.00 72.30 C ATOM 733 O ASN A 66 14.111 -9.389 -18.516 1.00 14.41 O ATOM 734 CB ASN A 66 13.156 -6.511 -19.368 1.00 44.43 C ATOM 735 CG ASN A 66 13.690 -5.130 -19.037 1.00 63.03 C ATOM 736 OD1 ASN A 66 13.250 -4.129 -19.604 1.00 61.43 O ATOM 737 ND2 ASN A 66 14.645 -5.070 -18.116 1.00 22.02 N ATOM 0 H ASN A 66 12.821 -8.636 -20.888 1.00 23.23 H new ATOM 0 HA ASN A 66 15.083 -6.840 -20.263 1.00 24.31 H new ATOM 0 HB2 ASN A 66 12.355 -6.422 -20.102 1.00 44.43 H new ATOM 0 HB3 ASN A 66 12.720 -6.953 -18.472 1.00 44.43 H new ATOM 0 HD21 ASN A 66 15.044 -4.169 -17.853 1.00 22.02 H new ATOM 0 HD22 ASN A 66 14.980 -5.925 -17.672 1.00 22.02 H new ATOM 744 N ILE A 67 15.859 -8.007 -18.196 1.00 75.11 N ATOM 745 CA ILE A 67 16.433 -8.807 -17.121 1.00 71.04 C ATOM 746 C ILE A 67 16.215 -8.143 -15.766 1.00 33.41 C ATOM 747 O ILE A 67 16.753 -7.069 -15.493 1.00 35.51 O ATOM 748 CB ILE A 67 17.942 -9.031 -17.333 1.00 24.35 C ATOM 749 CG1 ILE A 67 18.219 -9.455 -18.776 1.00 61.04 C ATOM 750 CG2 ILE A 67 18.463 -10.078 -16.358 1.00 54.05 C ATOM 751 CD1 ILE A 67 18.966 -8.412 -19.579 1.00 33.13 C ATOM 0 H ILE A 67 16.389 -7.167 -18.426 1.00 75.11 H new ATOM 0 HA ILE A 67 15.924 -9.771 -17.137 1.00 71.04 H new ATOM 0 HB ILE A 67 18.464 -8.093 -17.144 1.00 24.35 H new ATOM 0 HG12 ILE A 67 18.796 -10.380 -18.770 1.00 61.04 H new ATOM 0 HG13 ILE A 67 17.272 -9.673 -19.270 1.00 61.04 H new ATOM 0 HG21 ILE A 67 19.531 -10.226 -16.519 1.00 54.05 H new ATOM 0 HG22 ILE A 67 18.294 -9.739 -15.336 1.00 54.05 H new ATOM 0 HG23 ILE A 67 17.938 -11.019 -16.520 1.00 54.05 H new ATOM 0 HD11 ILE A 67 19.128 -8.780 -20.592 1.00 33.13 H new ATOM 0 HD12 ILE A 67 18.381 -7.493 -19.616 1.00 33.13 H new ATOM 0 HD13 ILE A 67 19.928 -8.211 -19.108 1.00 33.13 H new ATOM 763 N LEU A 68 15.423 -8.791 -14.918 1.00 35.14 N ATOM 764 CA LEU A 68 15.133 -8.265 -13.588 1.00 33.40 C ATOM 765 C LEU A 68 15.320 -9.343 -12.525 1.00 10.54 C ATOM 766 O LEU A 68 14.726 -10.417 -12.606 1.00 31.44 O ATOM 767 CB LEU A 68 13.705 -7.720 -13.533 1.00 73.12 C ATOM 768 CG LEU A 68 12.760 -8.201 -14.636 1.00 22.02 C ATOM 769 CD1 LEU A 68 11.321 -8.200 -14.143 1.00 42.41 C ATOM 770 CD2 LEU A 68 12.902 -7.331 -15.876 1.00 64.03 C ATOM 0 H LEU A 68 14.971 -9.681 -15.128 1.00 35.14 H new ATOM 0 HA LEU A 68 15.832 -7.454 -13.384 1.00 33.40 H new ATOM 0 HB2 LEU A 68 13.272 -7.988 -12.569 1.00 73.12 H new ATOM 0 HB3 LEU A 68 13.751 -6.632 -13.571 1.00 73.12 H new ATOM 0 HG LEU A 68 13.031 -9.223 -14.901 1.00 22.02 H new ATOM 0 HD11 LEU A 68 10.663 -8.545 -14.941 1.00 42.41 H new ATOM 0 HD12 LEU A 68 11.230 -8.865 -13.284 1.00 42.41 H new ATOM 0 HD13 LEU A 68 11.037 -7.189 -13.850 1.00 42.41 H new ATOM 0 HD21 LEU A 68 12.223 -7.687 -16.650 1.00 64.03 H new ATOM 0 HD22 LEU A 68 12.658 -6.299 -15.626 1.00 64.03 H new ATOM 0 HD23 LEU A 68 13.928 -7.383 -16.241 1.00 64.03 H new ATOM 782 N GLU A 69 16.147 -9.046 -11.527 1.00 54.31 N ATOM 783 CA GLU A 69 16.409 -9.989 -10.447 1.00 5.30 C ATOM 784 C GLU A 69 15.867 -9.463 -9.122 1.00 21.04 C ATOM 785 O GLU A 69 16.294 -8.416 -8.634 1.00 53.03 O ATOM 786 CB GLU A 69 17.911 -10.255 -10.326 1.00 43.21 C ATOM 787 CG GLU A 69 18.591 -10.524 -11.658 1.00 0.12 C ATOM 788 CD GLU A 69 19.477 -9.376 -12.103 1.00 55.24 C ATOM 789 OE1 GLU A 69 18.941 -8.397 -12.664 1.00 54.31 O ATOM 790 OE2 GLU A 69 20.705 -9.456 -11.892 1.00 53.04 O ATOM 0 H GLU A 69 16.646 -8.160 -11.445 1.00 54.31 H new ATOM 0 HA GLU A 69 15.899 -10.923 -10.683 1.00 5.30 H new ATOM 0 HB2 GLU A 69 18.386 -9.396 -9.852 1.00 43.21 H new ATOM 0 HB3 GLU A 69 18.068 -11.110 -9.668 1.00 43.21 H new ATOM 0 HG2 GLU A 69 19.190 -11.431 -11.579 1.00 0.12 H new ATOM 0 HG3 GLU A 69 17.832 -10.708 -12.418 1.00 0.12 H new ATOM 797 N LEU A 70 14.922 -10.197 -8.543 1.00 71.22 N ATOM 798 CA LEU A 70 14.319 -9.806 -7.273 1.00 43.51 C ATOM 799 C LEU A 70 15.334 -9.896 -6.138 1.00 33.40 C ATOM 800 O LEU A 70 15.105 -9.379 -5.045 1.00 12.34 O ATOM 801 CB LEU A 70 13.111 -10.691 -6.966 1.00 20.11 C ATOM 802 CG LEU A 70 12.356 -11.242 -8.176 1.00 12.32 C ATOM 803 CD1 LEU A 70 12.674 -12.715 -8.379 1.00 14.53 C ATOM 804 CD2 LEU A 70 10.858 -11.035 -8.009 1.00 31.14 C ATOM 0 H LEU A 70 14.557 -11.066 -8.933 1.00 71.22 H new ATOM 0 HA LEU A 70 13.989 -8.771 -7.358 1.00 43.51 H new ATOM 0 HB2 LEU A 70 13.447 -11.532 -6.359 1.00 20.11 H new ATOM 0 HB3 LEU A 70 12.412 -10.118 -6.357 1.00 20.11 H new ATOM 0 HG LEU A 70 12.681 -10.697 -9.062 1.00 12.32 H new ATOM 0 HD11 LEU A 70 12.127 -13.089 -9.245 1.00 14.53 H new ATOM 0 HD12 LEU A 70 13.744 -12.837 -8.545 1.00 14.53 H new ATOM 0 HD13 LEU A 70 12.378 -13.277 -7.493 1.00 14.53 H new ATOM 0 HD21 LEU A 70 10.336 -11.433 -8.879 1.00 31.14 H new ATOM 0 HD22 LEU A 70 10.517 -11.553 -7.113 1.00 31.14 H new ATOM 0 HD23 LEU A 70 10.646 -9.970 -7.915 1.00 31.14 H new ATOM 816 N ASP A 71 16.455 -10.555 -6.405 1.00 43.13 N ATOM 817 CA ASP A 71 17.507 -10.711 -5.407 1.00 71.31 C ATOM 818 C ASP A 71 18.468 -9.526 -5.440 1.00 63.31 C ATOM 819 O ASP A 71 19.444 -9.487 -4.692 1.00 15.34 O ATOM 820 CB ASP A 71 18.275 -12.013 -5.643 1.00 73.03 C ATOM 821 CG ASP A 71 18.561 -12.759 -4.354 1.00 13.53 C ATOM 822 OD1 ASP A 71 18.555 -12.116 -3.283 1.00 4.11 O ATOM 823 OD2 ASP A 71 18.790 -13.984 -4.417 1.00 11.33 O ATOM 0 H ASP A 71 16.659 -10.990 -7.305 1.00 43.13 H new ATOM 0 HA ASP A 71 17.038 -10.748 -4.424 1.00 71.31 H new ATOM 0 HB2 ASP A 71 17.700 -12.655 -6.311 1.00 73.03 H new ATOM 0 HB3 ASP A 71 19.216 -11.790 -6.147 1.00 73.03 H new ATOM 828 N GLN A 72 18.184 -8.565 -6.313 1.00 12.11 N ATOM 829 CA GLN A 72 19.024 -7.381 -6.445 1.00 24.14 C ATOM 830 C GLN A 72 18.227 -6.113 -6.158 1.00 51.22 C ATOM 831 O GLN A 72 18.755 -5.146 -5.608 1.00 53.14 O ATOM 832 CB GLN A 72 19.629 -7.311 -7.848 1.00 35.34 C ATOM 833 CG GLN A 72 20.592 -8.447 -8.152 1.00 2.14 C ATOM 834 CD GLN A 72 22.015 -7.966 -8.363 1.00 13.42 C ATOM 835 OE1 GLN A 72 22.689 -7.555 -7.418 1.00 65.00 O ATOM 836 NE2 GLN A 72 22.478 -8.013 -9.606 1.00 61.21 N ATOM 0 H GLN A 72 17.379 -8.583 -6.939 1.00 12.11 H new ATOM 0 HA GLN A 72 19.829 -7.455 -5.714 1.00 24.14 H new ATOM 0 HB2 GLN A 72 18.824 -7.322 -8.583 1.00 35.34 H new ATOM 0 HB3 GLN A 72 20.152 -6.362 -7.962 1.00 35.34 H new ATOM 0 HG2 GLN A 72 20.573 -9.164 -7.331 1.00 2.14 H new ATOM 0 HG3 GLN A 72 20.255 -8.975 -9.044 1.00 2.14 H new ATOM 0 HE21 GLN A 72 21.884 -8.361 -10.359 1.00 61.21 H new ATOM 0 HE22 GLN A 72 23.428 -7.701 -9.809 1.00 61.21 H new ATOM 845 N VAL A 73 16.952 -6.124 -6.534 1.00 73.11 N ATOM 846 CA VAL A 73 16.081 -4.975 -6.317 1.00 71.42 C ATOM 847 C VAL A 73 15.973 -4.640 -4.834 1.00 41.21 C ATOM 848 O VAL A 73 16.433 -5.398 -3.981 1.00 2.10 O ATOM 849 CB VAL A 73 14.669 -5.228 -6.880 1.00 1.14 C ATOM 850 CG1 VAL A 73 14.741 -5.635 -8.343 1.00 50.43 C ATOM 851 CG2 VAL A 73 13.951 -6.288 -6.057 1.00 53.30 C ATOM 0 H VAL A 73 16.499 -6.916 -6.990 1.00 73.11 H new ATOM 0 HA VAL A 73 16.529 -4.133 -6.844 1.00 71.42 H new ATOM 0 HB VAL A 73 14.099 -4.301 -6.815 1.00 1.14 H new ATOM 0 HG11 VAL A 73 13.734 -5.809 -8.722 1.00 50.43 H new ATOM 0 HG12 VAL A 73 15.213 -4.839 -8.919 1.00 50.43 H new ATOM 0 HG13 VAL A 73 15.328 -6.549 -8.438 1.00 50.43 H new ATOM 0 HG21 VAL A 73 12.955 -6.455 -6.468 1.00 53.30 H new ATOM 0 HG22 VAL A 73 14.517 -7.219 -6.089 1.00 53.30 H new ATOM 0 HG23 VAL A 73 13.865 -5.951 -5.024 1.00 53.30 H new ATOM 861 N ASP A 74 15.362 -3.498 -4.534 1.00 71.52 N ATOM 862 CA ASP A 74 15.191 -3.063 -3.154 1.00 1.33 C ATOM 863 C ASP A 74 13.986 -3.744 -2.513 1.00 43.32 C ATOM 864 O ASP A 74 14.006 -4.077 -1.328 1.00 54.44 O ATOM 865 CB ASP A 74 15.027 -1.543 -3.093 1.00 14.22 C ATOM 866 CG ASP A 74 16.246 -0.807 -3.610 1.00 43.31 C ATOM 867 OD1 ASP A 74 17.339 -1.411 -3.632 1.00 4.35 O ATOM 868 OD2 ASP A 74 16.109 0.373 -3.995 1.00 74.21 O ATOM 0 H ASP A 74 14.977 -2.858 -5.229 1.00 71.52 H new ATOM 0 HA ASP A 74 16.083 -3.347 -2.597 1.00 1.33 H new ATOM 0 HB2 ASP A 74 14.155 -1.251 -3.678 1.00 14.22 H new ATOM 0 HB3 ASP A 74 14.835 -1.243 -2.063 1.00 14.22 H new ATOM 873 N ASP A 75 12.938 -3.947 -3.304 1.00 50.33 N ATOM 874 CA ASP A 75 11.724 -4.587 -2.814 1.00 32.12 C ATOM 875 C ASP A 75 11.749 -6.087 -3.096 1.00 54.20 C ATOM 876 O ASP A 75 10.705 -6.713 -3.275 1.00 44.22 O ATOM 877 CB ASP A 75 10.491 -3.955 -3.462 1.00 2.50 C ATOM 878 CG ASP A 75 10.657 -2.465 -3.691 1.00 22.31 C ATOM 879 OD1 ASP A 75 10.773 -1.721 -2.695 1.00 31.14 O ATOM 880 OD2 ASP A 75 10.673 -2.045 -4.866 1.00 13.41 O ATOM 0 H ASP A 75 12.905 -3.677 -4.287 1.00 50.33 H new ATOM 0 HA ASP A 75 11.674 -4.438 -1.735 1.00 32.12 H new ATOM 0 HB2 ASP A 75 10.293 -4.446 -4.415 1.00 2.50 H new ATOM 0 HB3 ASP A 75 9.622 -4.128 -2.827 1.00 2.50 H new ATOM 885 N GLY A 76 12.950 -6.656 -3.136 1.00 71.31 N ATOM 886 CA GLY A 76 13.089 -8.077 -3.398 1.00 11.30 C ATOM 887 C GLY A 76 12.210 -8.921 -2.496 1.00 50.20 C ATOM 888 O GLY A 76 11.916 -10.075 -2.809 1.00 15.42 O ATOM 0 H GLY A 76 13.829 -6.159 -2.992 1.00 71.31 H new ATOM 0 HA2 GLY A 76 12.835 -8.278 -4.439 1.00 11.30 H new ATOM 0 HA3 GLY A 76 14.130 -8.368 -3.262 1.00 11.30 H new ATOM 892 N ALA A 77 11.791 -8.347 -1.374 1.00 42.11 N ATOM 893 CA ALA A 77 10.941 -9.054 -0.424 1.00 72.23 C ATOM 894 C ALA A 77 9.496 -9.099 -0.909 1.00 45.24 C ATOM 895 O ALA A 77 8.921 -10.175 -1.079 1.00 10.44 O ATOM 896 CB ALA A 77 11.020 -8.398 0.946 1.00 0.12 C ATOM 0 H ALA A 77 12.026 -7.393 -1.100 1.00 42.11 H new ATOM 0 HA ALA A 77 11.302 -10.079 -0.344 1.00 72.23 H new ATOM 0 HB1 ALA A 77 10.380 -8.937 1.645 1.00 0.12 H new ATOM 0 HB2 ALA A 77 12.050 -8.424 1.303 1.00 0.12 H new ATOM 0 HB3 ALA A 77 10.687 -7.363 0.873 1.00 0.12 H new ATOM 902 N SER A 78 8.914 -7.925 -1.130 1.00 30.12 N ATOM 903 CA SER A 78 7.534 -7.830 -1.591 1.00 51.12 C ATOM 904 C SER A 78 7.428 -8.197 -3.068 1.00 43.33 C ATOM 905 O SER A 78 6.562 -8.974 -3.467 1.00 60.50 O ATOM 906 CB SER A 78 6.994 -6.417 -1.365 1.00 13.15 C ATOM 907 OG SER A 78 6.944 -6.105 0.017 1.00 24.22 O ATOM 0 H SER A 78 9.377 -7.026 -0.997 1.00 30.12 H new ATOM 0 HA SER A 78 6.936 -8.536 -1.015 1.00 51.12 H new ATOM 0 HB2 SER A 78 7.627 -5.695 -1.881 1.00 13.15 H new ATOM 0 HB3 SER A 78 5.997 -6.332 -1.797 1.00 13.15 H new ATOM 0 HG SER A 78 6.597 -5.196 0.135 1.00 24.22 H new ATOM 913 N VAL A 79 8.318 -7.628 -3.877 1.00 75.32 N ATOM 914 CA VAL A 79 8.326 -7.895 -5.311 1.00 63.31 C ATOM 915 C VAL A 79 8.243 -9.391 -5.592 1.00 51.14 C ATOM 916 O VAL A 79 7.532 -9.822 -6.500 1.00 41.22 O ATOM 917 CB VAL A 79 9.593 -7.328 -5.979 1.00 25.32 C ATOM 918 CG1 VAL A 79 10.785 -8.238 -5.723 1.00 20.34 C ATOM 919 CG2 VAL A 79 9.368 -7.138 -7.472 1.00 10.15 C ATOM 0 H VAL A 79 9.041 -6.980 -3.564 1.00 75.32 H new ATOM 0 HA VAL A 79 7.450 -7.401 -5.731 1.00 63.31 H new ATOM 0 HB VAL A 79 9.809 -6.354 -5.540 1.00 25.32 H new ATOM 0 HG11 VAL A 79 11.671 -7.821 -6.203 1.00 20.34 H new ATOM 0 HG12 VAL A 79 10.957 -8.318 -4.650 1.00 20.34 H new ATOM 0 HG13 VAL A 79 10.582 -9.227 -6.133 1.00 20.34 H new ATOM 0 HG21 VAL A 79 10.273 -6.737 -7.928 1.00 10.15 H new ATOM 0 HG22 VAL A 79 9.126 -8.098 -7.929 1.00 10.15 H new ATOM 0 HG23 VAL A 79 8.543 -6.443 -7.630 1.00 10.15 H new ATOM 929 N GLN A 80 8.973 -10.177 -4.808 1.00 54.30 N ATOM 930 CA GLN A 80 8.981 -11.626 -4.973 1.00 11.41 C ATOM 931 C GLN A 80 7.868 -12.272 -4.156 1.00 34.52 C ATOM 932 O GLN A 80 7.465 -13.404 -4.427 1.00 13.23 O ATOM 933 CB GLN A 80 10.335 -12.200 -4.556 1.00 2.11 C ATOM 934 CG GLN A 80 10.655 -13.538 -5.204 1.00 51.33 C ATOM 935 CD GLN A 80 10.850 -14.646 -4.189 1.00 62.42 C ATOM 936 OE1 GLN A 80 11.790 -15.437 -4.288 1.00 40.23 O ATOM 937 NE2 GLN A 80 9.962 -14.711 -3.204 1.00 22.31 N ATOM 0 H GLN A 80 9.567 -9.835 -4.052 1.00 54.30 H new ATOM 0 HA GLN A 80 8.809 -11.848 -6.026 1.00 11.41 H new ATOM 0 HB2 GLN A 80 11.117 -11.486 -4.812 1.00 2.11 H new ATOM 0 HB3 GLN A 80 10.352 -12.317 -3.472 1.00 2.11 H new ATOM 0 HG2 GLN A 80 9.847 -13.811 -5.883 1.00 51.33 H new ATOM 0 HG3 GLN A 80 11.558 -13.439 -5.806 1.00 51.33 H new ATOM 0 HE21 GLN A 80 9.199 -14.036 -3.160 1.00 22.31 H new ATOM 0 HE22 GLN A 80 10.043 -15.436 -2.491 1.00 22.31 H new ATOM 946 N GLU A 81 7.375 -11.548 -3.157 1.00 3.24 N ATOM 947 CA GLU A 81 6.309 -12.053 -2.300 1.00 23.12 C ATOM 948 C GLU A 81 5.097 -12.470 -3.129 1.00 13.23 C ATOM 949 O GLU A 81 4.588 -13.582 -2.989 1.00 0.44 O ATOM 950 CB GLU A 81 5.900 -10.992 -1.276 1.00 21.15 C ATOM 951 CG GLU A 81 4.811 -11.454 -0.322 1.00 51.12 C ATOM 952 CD GLU A 81 4.729 -10.599 0.927 1.00 52.04 C ATOM 953 OE1 GLU A 81 5.426 -9.565 0.986 1.00 50.32 O ATOM 954 OE2 GLU A 81 3.967 -10.964 1.846 1.00 73.50 O ATOM 0 H GLU A 81 7.697 -10.609 -2.921 1.00 3.24 H new ATOM 0 HA GLU A 81 6.686 -12.929 -1.772 1.00 23.12 H new ATOM 0 HB2 GLU A 81 6.777 -10.699 -0.699 1.00 21.15 H new ATOM 0 HB3 GLU A 81 5.555 -10.103 -1.804 1.00 21.15 H new ATOM 0 HG2 GLU A 81 3.850 -11.433 -0.836 1.00 51.12 H new ATOM 0 HG3 GLU A 81 4.998 -12.489 -0.037 1.00 51.12 H new ATOM 961 N VAL A 82 4.639 -11.568 -3.991 1.00 15.12 N ATOM 962 CA VAL A 82 3.487 -11.839 -4.842 1.00 31.31 C ATOM 963 C VAL A 82 3.905 -12.564 -6.118 1.00 4.52 C ATOM 964 O VAL A 82 3.098 -13.243 -6.752 1.00 54.21 O ATOM 965 CB VAL A 82 2.750 -10.542 -5.221 1.00 14.34 C ATOM 966 CG1 VAL A 82 3.531 -9.770 -6.272 1.00 53.54 C ATOM 967 CG2 VAL A 82 1.343 -10.852 -5.710 1.00 74.14 C ATOM 0 H VAL A 82 5.049 -10.643 -4.118 1.00 15.12 H new ATOM 0 HA VAL A 82 2.814 -12.476 -4.268 1.00 31.31 H new ATOM 0 HB VAL A 82 2.671 -9.917 -4.331 1.00 14.34 H new ATOM 0 HG11 VAL A 82 2.994 -8.856 -6.527 1.00 53.54 H new ATOM 0 HG12 VAL A 82 4.515 -9.515 -5.879 1.00 53.54 H new ATOM 0 HG13 VAL A 82 3.645 -10.385 -7.165 1.00 53.54 H new ATOM 0 HG21 VAL A 82 0.837 -9.923 -5.974 1.00 74.14 H new ATOM 0 HG22 VAL A 82 1.396 -11.498 -6.587 1.00 74.14 H new ATOM 0 HG23 VAL A 82 0.787 -11.357 -4.921 1.00 74.14 H new ATOM 977 N LEU A 83 5.173 -12.415 -6.487 1.00 53.20 N ATOM 978 CA LEU A 83 5.700 -13.054 -7.687 1.00 32.53 C ATOM 979 C LEU A 83 5.800 -14.565 -7.500 1.00 34.51 C ATOM 980 O LEU A 83 5.345 -15.339 -8.343 1.00 40.34 O ATOM 981 CB LEU A 83 7.075 -12.481 -8.033 1.00 11.43 C ATOM 982 CG LEU A 83 7.473 -12.535 -9.508 1.00 24.50 C ATOM 983 CD1 LEU A 83 7.348 -13.955 -10.042 1.00 45.40 C ATOM 984 CD2 LEU A 83 6.620 -11.578 -10.328 1.00 23.14 C ATOM 0 H LEU A 83 5.854 -11.857 -5.972 1.00 53.20 H new ATOM 0 HA LEU A 83 5.012 -12.852 -8.508 1.00 32.53 H new ATOM 0 HB2 LEU A 83 7.106 -11.441 -7.707 1.00 11.43 H new ATOM 0 HB3 LEU A 83 7.826 -13.019 -7.455 1.00 11.43 H new ATOM 0 HG LEU A 83 8.514 -12.225 -9.595 1.00 24.50 H new ATOM 0 HD11 LEU A 83 7.635 -13.975 -11.093 1.00 45.40 H new ATOM 0 HD12 LEU A 83 8.003 -14.616 -9.474 1.00 45.40 H new ATOM 0 HD13 LEU A 83 6.316 -14.292 -9.941 1.00 45.40 H new ATOM 0 HD21 LEU A 83 6.918 -11.631 -11.375 1.00 23.14 H new ATOM 0 HD22 LEU A 83 5.570 -11.856 -10.235 1.00 23.14 H new ATOM 0 HD23 LEU A 83 6.760 -10.561 -9.962 1.00 23.14 H new ATOM 996 N THR A 84 6.396 -14.980 -6.386 1.00 73.30 N ATOM 997 CA THR A 84 6.554 -16.398 -6.086 1.00 53.32 C ATOM 998 C THR A 84 5.210 -17.118 -6.110 1.00 44.32 C ATOM 999 O THR A 84 5.148 -18.326 -6.337 1.00 30.11 O ATOM 1000 CB THR A 84 7.214 -16.611 -4.711 1.00 14.13 C ATOM 1001 OG1 THR A 84 8.634 -16.473 -4.823 1.00 2.04 O ATOM 1002 CG2 THR A 84 6.875 -17.987 -4.155 1.00 51.43 C ATOM 0 H THR A 84 6.777 -14.354 -5.677 1.00 73.30 H new ATOM 0 HA THR A 84 7.200 -16.815 -6.859 1.00 53.32 H new ATOM 0 HB THR A 84 6.829 -15.855 -4.027 1.00 14.13 H new ATOM 0 HG1 THR A 84 9.071 -17.038 -4.152 1.00 2.04 H new ATOM 0 HG21 THR A 84 7.352 -18.114 -3.183 1.00 51.43 H new ATOM 0 HG22 THR A 84 5.795 -18.078 -4.043 1.00 51.43 H new ATOM 0 HG23 THR A 84 7.235 -18.755 -4.840 1.00 51.43 H new ATOM 1010 N GLU A 85 4.137 -16.368 -5.873 1.00 65.33 N ATOM 1011 CA GLU A 85 2.795 -16.938 -5.868 1.00 64.14 C ATOM 1012 C GLU A 85 2.266 -17.099 -7.291 1.00 4.12 C ATOM 1013 O GLU A 85 1.401 -17.935 -7.551 1.00 30.14 O ATOM 1014 CB GLU A 85 1.846 -16.053 -5.057 1.00 23.01 C ATOM 1015 CG GLU A 85 0.377 -16.352 -5.303 1.00 22.41 C ATOM 1016 CD GLU A 85 0.032 -17.810 -5.075 1.00 33.42 C ATOM 1017 OE1 GLU A 85 0.483 -18.376 -4.057 1.00 64.11 O ATOM 1018 OE2 GLU A 85 -0.691 -18.387 -5.915 1.00 21.11 O ATOM 0 H GLU A 85 4.172 -15.367 -5.682 1.00 65.33 H new ATOM 0 HA GLU A 85 2.848 -17.924 -5.405 1.00 64.14 H new ATOM 0 HB2 GLU A 85 2.061 -16.180 -3.996 1.00 23.01 H new ATOM 0 HB3 GLU A 85 2.041 -15.008 -5.299 1.00 23.01 H new ATOM 0 HG2 GLU A 85 -0.231 -15.732 -4.645 1.00 22.41 H new ATOM 0 HG3 GLU A 85 0.121 -16.078 -6.326 1.00 22.41 H new ATOM 1025 N ILE A 86 2.793 -16.292 -8.205 1.00 74.24 N ATOM 1026 CA ILE A 86 2.375 -16.346 -9.601 1.00 63.15 C ATOM 1027 C ILE A 86 2.570 -17.743 -10.180 1.00 44.04 C ATOM 1028 O ILE A 86 1.721 -18.246 -10.915 1.00 51.32 O ATOM 1029 CB ILE A 86 3.153 -15.332 -10.461 1.00 10.23 C ATOM 1030 CG1 ILE A 86 2.965 -13.916 -9.913 1.00 44.34 C ATOM 1031 CG2 ILE A 86 2.699 -15.409 -11.912 1.00 31.33 C ATOM 1032 CD1 ILE A 86 3.668 -12.855 -10.730 1.00 4.30 C ATOM 0 H ILE A 86 3.509 -15.594 -8.005 1.00 74.24 H new ATOM 0 HA ILE A 86 1.315 -16.091 -9.623 1.00 63.15 H new ATOM 0 HB ILE A 86 4.214 -15.580 -10.419 1.00 10.23 H new ATOM 0 HG12 ILE A 86 1.900 -13.688 -9.875 1.00 44.34 H new ATOM 0 HG13 ILE A 86 3.335 -13.879 -8.888 1.00 44.34 H new ATOM 0 HG21 ILE A 86 3.258 -14.687 -12.507 1.00 31.33 H new ATOM 0 HG22 ILE A 86 2.879 -16.413 -12.297 1.00 31.33 H new ATOM 0 HG23 ILE A 86 1.634 -15.183 -11.973 1.00 31.33 H new ATOM 0 HD11 ILE A 86 3.492 -11.876 -10.284 1.00 4.30 H new ATOM 0 HD12 ILE A 86 4.739 -13.059 -10.747 1.00 4.30 H new ATOM 0 HD13 ILE A 86 3.281 -12.864 -11.749 1.00 4.30 H new ATOM 1044 N SER A 87 3.695 -18.365 -9.843 1.00 24.13 N ATOM 1045 CA SER A 87 4.004 -19.705 -10.331 1.00 72.00 C ATOM 1046 C SER A 87 4.028 -20.710 -9.183 1.00 54.31 C ATOM 1047 O SER A 87 3.995 -21.919 -9.402 1.00 44.22 O ATOM 1048 CB SER A 87 5.352 -19.709 -11.055 1.00 55.52 C ATOM 1049 OG SER A 87 5.852 -18.392 -11.208 1.00 10.02 O ATOM 0 H SER A 87 4.408 -17.963 -9.234 1.00 24.13 H new ATOM 0 HA SER A 87 3.222 -19.998 -11.031 1.00 72.00 H new ATOM 0 HB2 SER A 87 6.068 -20.310 -10.494 1.00 55.52 H new ATOM 0 HB3 SER A 87 5.241 -20.175 -12.034 1.00 55.52 H new ATOM 0 HG SER A 87 6.526 -18.379 -11.919 1.00 10.02 H new ATOM 1055 N ASN A 88 4.084 -20.197 -7.958 1.00 1.23 N ATOM 1056 CA ASN A 88 4.113 -21.048 -6.774 1.00 63.23 C ATOM 1057 C ASN A 88 5.197 -22.115 -6.898 1.00 73.12 C ATOM 1058 O ASN A 88 4.960 -23.289 -6.616 1.00 34.22 O ATOM 1059 CB ASN A 88 2.750 -21.711 -6.564 1.00 21.22 C ATOM 1060 CG ASN A 88 2.392 -21.843 -5.097 1.00 22.55 C ATOM 1061 OD1 ASN A 88 3.034 -22.586 -4.354 1.00 30.02 O ATOM 1062 ND2 ASN A 88 1.362 -21.122 -4.672 1.00 11.14 N ATOM 0 H ASN A 88 4.110 -19.197 -7.760 1.00 1.23 H new ATOM 0 HA ASN A 88 4.342 -20.422 -5.912 1.00 63.23 H new ATOM 0 HB2 ASN A 88 1.983 -21.126 -7.071 1.00 21.22 H new ATOM 0 HB3 ASN A 88 2.755 -22.699 -7.024 1.00 21.22 H new ATOM 0 HD21 ASN A 88 1.074 -21.171 -3.695 1.00 11.14 H new ATOM 0 HD22 ASN A 88 0.858 -20.519 -5.323 1.00 11.14 H new ATOM 1069 N GLN A 89 6.385 -21.698 -7.321 1.00 3.12 N ATOM 1070 CA GLN A 89 7.504 -22.617 -7.482 1.00 65.40 C ATOM 1071 C GLN A 89 8.702 -22.169 -6.650 1.00 45.23 C ATOM 1072 O GLN A 89 8.865 -20.982 -6.367 1.00 51.14 O ATOM 1073 CB GLN A 89 7.902 -22.719 -8.956 1.00 35.31 C ATOM 1074 CG GLN A 89 7.189 -23.834 -9.702 1.00 34.22 C ATOM 1075 CD GLN A 89 6.242 -23.313 -10.765 1.00 62.33 C ATOM 1076 OE1 GLN A 89 6.718 -22.373 -11.573 1.00 44.10 O flip ATOM 1077 NE2 GLN A 89 5.095 -23.751 -10.861 1.00 4.43 N flip ATOM 0 H GLN A 89 6.597 -20.729 -7.559 1.00 3.12 H new ATOM 0 HA GLN A 89 7.187 -23.599 -7.130 1.00 65.40 H new ATOM 0 HB2 GLN A 89 7.689 -21.770 -9.448 1.00 35.31 H new ATOM 0 HB3 GLN A 89 8.978 -22.878 -9.023 1.00 35.31 H new ATOM 0 HG2 GLN A 89 7.929 -24.485 -10.168 1.00 34.22 H new ATOM 0 HG3 GLN A 89 6.631 -24.443 -8.991 1.00 34.22 H new ATOM 0 HE21 GLN A 89 4.770 -24.474 -10.219 1.00 4.43 H new ATOM 0 HE22 GLN A 89 4.470 -23.391 -11.583 1.00 4.43 H new ATOM 1086 N LYS A 90 9.538 -23.126 -6.261 1.00 22.01 N ATOM 1087 CA LYS A 90 10.721 -22.830 -5.463 1.00 3.32 C ATOM 1088 C LYS A 90 11.455 -21.609 -6.009 1.00 24.22 C ATOM 1089 O LYS A 90 11.899 -20.747 -5.250 1.00 53.33 O ATOM 1090 CB LYS A 90 11.663 -24.037 -5.442 1.00 1.41 C ATOM 1091 CG LYS A 90 12.224 -24.347 -4.065 1.00 35.32 C ATOM 1092 CD LYS A 90 13.274 -25.443 -4.125 1.00 44.03 C ATOM 1093 CE LYS A 90 13.840 -25.749 -2.747 1.00 10.11 C ATOM 1094 NZ LYS A 90 15.045 -26.622 -2.823 1.00 13.22 N ATOM 0 H LYS A 90 9.418 -24.114 -6.486 1.00 22.01 H new ATOM 0 HA LYS A 90 10.396 -22.612 -4.446 1.00 3.32 H new ATOM 0 HB2 LYS A 90 11.128 -24.911 -5.812 1.00 1.41 H new ATOM 0 HB3 LYS A 90 12.489 -23.854 -6.129 1.00 1.41 H new ATOM 0 HG2 LYS A 90 12.662 -23.445 -3.638 1.00 35.32 H new ATOM 0 HG3 LYS A 90 11.415 -24.653 -3.402 1.00 35.32 H new ATOM 0 HD2 LYS A 90 12.835 -26.346 -4.548 1.00 44.03 H new ATOM 0 HD3 LYS A 90 14.081 -25.139 -4.792 1.00 44.03 H new ATOM 0 HE2 LYS A 90 14.098 -24.816 -2.245 1.00 10.11 H new ATOM 0 HE3 LYS A 90 13.076 -26.236 -2.141 1.00 10.11 H new ATOM 0 HZ1 LYS A 90 15.401 -26.807 -1.863 1.00 13.22 H new ATOM 0 HZ2 LYS A 90 14.793 -27.522 -3.279 1.00 13.22 H new ATOM 0 HZ3 LYS A 90 15.784 -26.147 -3.380 1.00 13.22 H new ATOM 1108 N THR A 91 11.580 -21.541 -7.331 1.00 51.23 N ATOM 1109 CA THR A 91 12.259 -20.426 -7.979 1.00 1.32 C ATOM 1110 C THR A 91 11.273 -19.325 -8.353 1.00 45.41 C ATOM 1111 O THR A 91 10.094 -19.389 -8.005 1.00 41.44 O ATOM 1112 CB THR A 91 13.007 -20.883 -9.245 1.00 63.42 C ATOM 1113 OG1 THR A 91 12.426 -22.091 -9.748 1.00 62.40 O ATOM 1114 CG2 THR A 91 14.482 -21.109 -8.951 1.00 31.15 C ATOM 0 H THR A 91 11.219 -22.246 -7.974 1.00 51.23 H new ATOM 0 HA THR A 91 12.981 -20.035 -7.262 1.00 1.32 H new ATOM 0 HB THR A 91 12.919 -20.097 -9.995 1.00 63.42 H new ATOM 0 HG1 THR A 91 12.906 -22.374 -10.554 1.00 62.40 H new ATOM 0 HG21 THR A 91 14.989 -21.431 -9.860 1.00 31.15 H new ATOM 0 HG22 THR A 91 14.929 -20.180 -8.596 1.00 31.15 H new ATOM 0 HG23 THR A 91 14.587 -21.878 -8.185 1.00 31.15 H new ATOM 1122 N VAL A 92 11.764 -18.316 -9.066 1.00 42.53 N ATOM 1123 CA VAL A 92 10.926 -17.201 -9.490 1.00 72.11 C ATOM 1124 C VAL A 92 10.808 -17.149 -11.009 1.00 12.22 C ATOM 1125 O VAL A 92 11.078 -16.129 -11.643 1.00 42.45 O ATOM 1126 CB VAL A 92 11.481 -15.856 -8.983 1.00 61.51 C ATOM 1127 CG1 VAL A 92 10.399 -14.788 -9.009 1.00 71.11 C ATOM 1128 CG2 VAL A 92 12.055 -16.012 -7.583 1.00 42.30 C ATOM 0 H VAL A 92 12.738 -18.248 -9.362 1.00 42.53 H new ATOM 0 HA VAL A 92 9.939 -17.365 -9.057 1.00 72.11 H new ATOM 0 HB VAL A 92 12.285 -15.540 -9.648 1.00 61.51 H new ATOM 0 HG11 VAL A 92 10.810 -13.845 -8.648 1.00 71.11 H new ATOM 0 HG12 VAL A 92 10.039 -14.659 -10.030 1.00 71.11 H new ATOM 0 HG13 VAL A 92 9.572 -15.093 -8.368 1.00 71.11 H new ATOM 0 HG21 VAL A 92 12.443 -15.053 -7.240 1.00 42.30 H new ATOM 0 HG22 VAL A 92 11.272 -16.351 -6.904 1.00 42.30 H new ATOM 0 HG23 VAL A 92 12.862 -16.744 -7.600 1.00 42.30 H new ATOM 1138 N PRO A 93 10.394 -18.275 -11.610 1.00 11.54 N ATOM 1139 CA PRO A 93 10.228 -18.383 -13.062 1.00 4.23 C ATOM 1140 C PRO A 93 9.052 -17.560 -13.574 1.00 70.32 C ATOM 1141 O PRO A 93 7.913 -17.760 -13.155 1.00 24.13 O ATOM 1142 CB PRO A 93 9.972 -19.876 -13.280 1.00 1.03 C ATOM 1143 CG PRO A 93 9.400 -20.354 -11.989 1.00 41.14 C ATOM 1144 CD PRO A 93 10.053 -19.529 -10.915 1.00 44.53 C ATOM 0 HA PRO A 93 11.096 -18.003 -13.601 1.00 4.23 H new ATOM 0 HB2 PRO A 93 9.280 -20.043 -14.106 1.00 1.03 H new ATOM 0 HB3 PRO A 93 10.894 -20.404 -13.525 1.00 1.03 H new ATOM 0 HG2 PRO A 93 8.317 -20.230 -11.972 1.00 41.14 H new ATOM 0 HG3 PRO A 93 9.601 -21.415 -11.842 1.00 41.14 H new ATOM 0 HD2 PRO A 93 9.379 -19.354 -10.077 1.00 44.53 H new ATOM 0 HD3 PRO A 93 10.939 -20.020 -10.514 1.00 44.53 H new ATOM 1152 N ASN A 94 9.335 -16.634 -14.485 1.00 63.34 N ATOM 1153 CA ASN A 94 8.299 -15.781 -15.056 1.00 3.33 C ATOM 1154 C ASN A 94 8.437 -15.697 -16.572 1.00 43.52 C ATOM 1155 O ASN A 94 9.399 -15.125 -17.087 1.00 14.14 O ATOM 1156 CB ASN A 94 8.371 -14.380 -14.447 1.00 42.52 C ATOM 1157 CG ASN A 94 7.199 -14.085 -13.531 1.00 45.14 C ATOM 1158 OD1 ASN A 94 6.798 -15.077 -12.746 1.00 52.32 O flip ATOM 1159 ND2 ASN A 94 6.661 -12.978 -13.531 1.00 25.22 N flip ATOM 0 H ASN A 94 10.273 -16.455 -14.843 1.00 63.34 H new ATOM 0 HA ASN A 94 7.330 -16.222 -14.822 1.00 3.33 H new ATOM 0 HB2 ASN A 94 9.301 -14.278 -13.887 1.00 42.52 H new ATOM 0 HB3 ASN A 94 8.398 -13.640 -15.247 1.00 42.52 H new ATOM 0 HD21 ASN A 94 7.003 -12.245 -14.152 1.00 25.22 H new ATOM 0 HD22 ASN A 94 5.873 -12.794 -12.910 1.00 25.22 H new ATOM 1166 N ILE A 95 7.471 -16.269 -17.282 1.00 65.00 N ATOM 1167 CA ILE A 95 7.484 -16.257 -18.739 1.00 44.25 C ATOM 1168 C ILE A 95 6.166 -15.731 -19.297 1.00 11.12 C ATOM 1169 O ILE A 95 5.162 -16.443 -19.322 1.00 60.32 O ATOM 1170 CB ILE A 95 7.747 -17.663 -19.312 1.00 2.00 C ATOM 1171 CG1 ILE A 95 7.240 -18.734 -18.344 1.00 25.31 C ATOM 1172 CG2 ILE A 95 9.230 -17.853 -19.592 1.00 53.34 C ATOM 1173 CD1 ILE A 95 8.261 -19.138 -17.302 1.00 62.14 C ATOM 0 H ILE A 95 6.669 -16.747 -16.871 1.00 65.00 H new ATOM 0 HA ILE A 95 8.294 -15.593 -19.041 1.00 44.25 H new ATOM 0 HB ILE A 95 7.205 -17.763 -20.252 1.00 2.00 H new ATOM 0 HG12 ILE A 95 6.346 -18.364 -17.841 1.00 25.31 H new ATOM 0 HG13 ILE A 95 6.944 -19.616 -18.913 1.00 25.31 H new ATOM 0 HG21 ILE A 95 9.399 -18.851 -19.996 1.00 53.34 H new ATOM 0 HG22 ILE A 95 9.562 -17.108 -20.315 1.00 53.34 H new ATOM 0 HG23 ILE A 95 9.793 -17.737 -18.666 1.00 53.34 H new ATOM 0 HD11 ILE A 95 7.834 -19.900 -16.650 1.00 62.14 H new ATOM 0 HD12 ILE A 95 9.146 -19.538 -17.796 1.00 62.14 H new ATOM 0 HD13 ILE A 95 8.539 -18.267 -16.708 1.00 62.14 H new ATOM 1185 N PHE A 96 6.177 -14.480 -19.745 1.00 13.21 N ATOM 1186 CA PHE A 96 4.983 -13.858 -20.304 1.00 74.10 C ATOM 1187 C PHE A 96 5.347 -12.884 -21.421 1.00 23.03 C ATOM 1188 O PHE A 96 5.969 -11.850 -21.179 1.00 13.21 O ATOM 1189 CB PHE A 96 4.202 -13.127 -19.209 1.00 24.31 C ATOM 1190 CG PHE A 96 3.973 -13.958 -17.980 1.00 20.40 C ATOM 1191 CD1 PHE A 96 4.965 -14.092 -17.022 1.00 12.23 C ATOM 1192 CD2 PHE A 96 2.765 -14.608 -17.781 1.00 54.14 C ATOM 1193 CE1 PHE A 96 4.757 -14.857 -15.890 1.00 0.15 C ATOM 1194 CE2 PHE A 96 2.550 -15.373 -16.651 1.00 51.21 C ATOM 1195 CZ PHE A 96 3.548 -15.499 -15.704 1.00 2.53 C ATOM 0 H PHE A 96 7.000 -13.877 -19.732 1.00 13.21 H new ATOM 0 HA PHE A 96 4.357 -14.646 -20.723 1.00 74.10 H new ATOM 0 HB2 PHE A 96 4.743 -12.222 -18.931 1.00 24.31 H new ATOM 0 HB3 PHE A 96 3.238 -12.812 -19.610 1.00 24.31 H new ATOM 0 HD1 PHE A 96 5.912 -13.593 -17.162 1.00 12.23 H new ATOM 0 HD2 PHE A 96 1.982 -14.515 -18.519 1.00 54.14 H new ATOM 0 HE1 PHE A 96 5.539 -14.953 -15.151 1.00 0.15 H new ATOM 0 HE2 PHE A 96 1.603 -15.872 -16.508 1.00 51.21 H new ATOM 0 HZ PHE A 96 3.383 -16.098 -14.820 1.00 2.53 H new ATOM 1205 N VAL A 97 4.957 -13.224 -22.645 1.00 64.23 N ATOM 1206 CA VAL A 97 5.243 -12.381 -23.799 1.00 51.13 C ATOM 1207 C VAL A 97 3.958 -11.843 -24.419 1.00 34.02 C ATOM 1208 O VAL A 97 2.948 -12.544 -24.485 1.00 11.41 O ATOM 1209 CB VAL A 97 6.035 -13.149 -24.874 1.00 31.41 C ATOM 1210 CG1 VAL A 97 5.152 -14.191 -25.545 1.00 60.10 C ATOM 1211 CG2 VAL A 97 6.612 -12.187 -25.900 1.00 63.14 C ATOM 0 H VAL A 97 4.442 -14.077 -22.863 1.00 64.23 H new ATOM 0 HA VAL A 97 5.847 -11.548 -23.439 1.00 51.13 H new ATOM 0 HB VAL A 97 6.863 -13.666 -24.390 1.00 31.41 H new ATOM 0 HG11 VAL A 97 5.728 -14.724 -26.301 1.00 60.10 H new ATOM 0 HG12 VAL A 97 4.792 -14.899 -24.798 1.00 60.10 H new ATOM 0 HG13 VAL A 97 4.302 -13.698 -26.017 1.00 60.10 H new ATOM 0 HG21 VAL A 97 7.168 -12.747 -26.652 1.00 63.14 H new ATOM 0 HG22 VAL A 97 5.802 -11.640 -26.381 1.00 63.14 H new ATOM 0 HG23 VAL A 97 7.280 -11.483 -25.404 1.00 63.14 H new ATOM 1221 N ASN A 98 4.002 -10.595 -24.872 1.00 12.30 N ATOM 1222 CA ASN A 98 2.840 -9.962 -25.486 1.00 0.05 C ATOM 1223 C ASN A 98 1.647 -9.977 -24.535 1.00 55.32 C ATOM 1224 O ASN A 98 0.500 -10.107 -24.962 1.00 71.44 O ATOM 1225 CB ASN A 98 2.477 -10.675 -26.790 1.00 55.11 C ATOM 1226 CG ASN A 98 1.953 -9.718 -27.844 1.00 73.35 C ATOM 1227 OD1 ASN A 98 0.876 -9.140 -27.694 1.00 44.04 O ATOM 1228 ND2 ASN A 98 2.715 -9.548 -28.919 1.00 11.44 N ATOM 0 H ASN A 98 4.830 -10.001 -24.826 1.00 12.30 H new ATOM 0 HA ASN A 98 3.094 -8.925 -25.705 1.00 0.05 H new ATOM 0 HB2 ASN A 98 3.356 -11.191 -27.176 1.00 55.11 H new ATOM 0 HB3 ASN A 98 1.724 -11.436 -26.587 1.00 55.11 H new ATOM 0 HD21 ASN A 98 2.415 -8.918 -29.662 1.00 11.44 H new ATOM 0 HD22 ASN A 98 3.600 -10.048 -29.001 1.00 11.44 H new ATOM 1235 N LYS A 99 1.926 -9.842 -23.243 1.00 54.41 N ATOM 1236 CA LYS A 99 0.876 -9.836 -22.231 1.00 23.40 C ATOM 1237 C LYS A 99 0.171 -11.187 -22.171 1.00 63.44 C ATOM 1238 O LYS A 99 -0.989 -11.276 -21.768 1.00 21.23 O ATOM 1239 CB LYS A 99 -0.140 -8.731 -22.525 1.00 1.51 C ATOM 1240 CG LYS A 99 0.496 -7.394 -22.864 1.00 41.21 C ATOM 1241 CD LYS A 99 0.207 -6.988 -24.299 1.00 42.12 C ATOM 1242 CE LYS A 99 -0.869 -5.915 -24.369 1.00 43.42 C ATOM 1243 NZ LYS A 99 -0.300 -4.579 -24.697 1.00 4.40 N ATOM 0 H LYS A 99 2.870 -9.735 -22.872 1.00 54.41 H new ATOM 0 HA LYS A 99 1.340 -9.645 -21.264 1.00 23.40 H new ATOM 0 HB2 LYS A 99 -0.774 -9.043 -23.355 1.00 1.51 H new ATOM 0 HB3 LYS A 99 -0.789 -8.606 -21.658 1.00 1.51 H new ATOM 0 HG2 LYS A 99 0.120 -6.628 -22.185 1.00 41.21 H new ATOM 0 HG3 LYS A 99 1.574 -7.453 -22.712 1.00 41.21 H new ATOM 0 HD2 LYS A 99 1.121 -6.619 -24.765 1.00 42.12 H new ATOM 0 HD3 LYS A 99 -0.111 -7.861 -24.868 1.00 42.12 H new ATOM 0 HE2 LYS A 99 -1.607 -6.190 -25.122 1.00 43.42 H new ATOM 0 HE3 LYS A 99 -1.392 -5.862 -23.414 1.00 43.42 H new ATOM 0 HZ1 LYS A 99 -1.015 -3.845 -24.521 1.00 4.40 H new ATOM 0 HZ2 LYS A 99 0.533 -4.401 -24.101 1.00 4.40 H new ATOM 0 HZ3 LYS A 99 -0.020 -4.557 -25.698 1.00 4.40 H new ATOM 1257 N VAL A 100 0.878 -12.237 -22.575 1.00 24.41 N ATOM 1258 CA VAL A 100 0.321 -13.585 -22.565 1.00 45.01 C ATOM 1259 C VAL A 100 1.102 -14.496 -21.624 1.00 15.21 C ATOM 1260 O VAL A 100 2.258 -14.225 -21.297 1.00 53.22 O ATOM 1261 CB VAL A 100 0.321 -14.202 -23.976 1.00 30.00 C ATOM 1262 CG1 VAL A 100 1.563 -15.054 -24.187 1.00 2.00 C ATOM 1263 CG2 VAL A 100 -0.941 -15.022 -24.198 1.00 10.12 C ATOM 0 H VAL A 100 1.838 -12.181 -22.914 1.00 24.41 H new ATOM 0 HA VAL A 100 -0.707 -13.500 -22.213 1.00 45.01 H new ATOM 0 HB VAL A 100 0.336 -13.394 -24.707 1.00 30.00 H new ATOM 0 HG11 VAL A 100 1.545 -15.481 -25.190 1.00 2.00 H new ATOM 0 HG12 VAL A 100 2.453 -14.435 -24.072 1.00 2.00 H new ATOM 0 HG13 VAL A 100 1.583 -15.857 -23.450 1.00 2.00 H new ATOM 0 HG21 VAL A 100 -0.925 -15.451 -25.200 1.00 10.12 H new ATOM 0 HG22 VAL A 100 -0.988 -15.824 -23.461 1.00 10.12 H new ATOM 0 HG23 VAL A 100 -1.815 -14.380 -24.092 1.00 10.12 H new ATOM 1273 N HIS A 101 0.462 -15.578 -21.191 1.00 55.31 N ATOM 1274 CA HIS A 101 1.097 -16.531 -20.288 1.00 32.20 C ATOM 1275 C HIS A 101 1.678 -17.710 -21.062 1.00 32.31 C ATOM 1276 O HIS A 101 0.997 -18.320 -21.887 1.00 1.01 O ATOM 1277 CB HIS A 101 0.089 -17.033 -19.252 1.00 63.02 C ATOM 1278 CG HIS A 101 -1.196 -17.513 -19.851 1.00 35.20 C ATOM 1279 ND1 HIS A 101 -2.337 -16.740 -19.906 1.00 43.45 N ATOM 1280 CD2 HIS A 101 -1.518 -18.696 -20.425 1.00 33.11 C ATOM 1281 CE1 HIS A 101 -3.304 -17.427 -20.486 1.00 62.24 C ATOM 1282 NE2 HIS A 101 -2.833 -18.618 -20.811 1.00 12.11 N ATOM 0 H HIS A 101 -0.495 -15.816 -21.451 1.00 55.31 H new ATOM 0 HA HIS A 101 1.911 -16.020 -19.775 1.00 32.20 H new ATOM 0 HB2 HIS A 101 0.540 -17.845 -18.682 1.00 63.02 H new ATOM 0 HB3 HIS A 101 -0.126 -16.230 -18.547 1.00 63.02 H new ATOM 0 HD2 HIS A 101 -0.862 -19.544 -20.555 1.00 33.11 H new ATOM 0 HE1 HIS A 101 -4.309 -17.075 -20.664 1.00 62.24 H new ATOM 0 HE2 HIS A 101 -3.360 -19.359 -21.273 1.00 12.11 H new ATOM 1290 N VAL A 102 2.940 -18.025 -20.791 1.00 21.31 N ATOM 1291 CA VAL A 102 3.613 -19.131 -21.462 1.00 11.00 C ATOM 1292 C VAL A 102 3.668 -20.365 -20.569 1.00 4.44 C ATOM 1293 O VAL A 102 3.444 -21.484 -21.024 1.00 73.55 O ATOM 1294 CB VAL A 102 5.046 -18.747 -21.877 1.00 62.34 C ATOM 1295 CG1 VAL A 102 5.694 -19.874 -22.667 1.00 74.45 C ATOM 1296 CG2 VAL A 102 5.040 -17.456 -22.683 1.00 30.03 C ATOM 0 H VAL A 102 3.517 -17.530 -20.111 1.00 21.31 H new ATOM 0 HA VAL A 102 3.032 -19.359 -22.356 1.00 11.00 H new ATOM 0 HB VAL A 102 5.634 -18.583 -20.974 1.00 62.34 H new ATOM 0 HG11 VAL A 102 6.706 -19.584 -22.951 1.00 74.45 H new ATOM 0 HG12 VAL A 102 5.733 -20.773 -22.052 1.00 74.45 H new ATOM 0 HG13 VAL A 102 5.108 -20.073 -23.564 1.00 74.45 H new ATOM 0 HG21 VAL A 102 6.061 -17.200 -22.968 1.00 30.03 H new ATOM 0 HG22 VAL A 102 4.436 -17.590 -23.580 1.00 30.03 H new ATOM 0 HG23 VAL A 102 4.619 -16.652 -22.079 1.00 30.03 H new ATOM 1306 N GLY A 103 3.968 -20.150 -19.291 1.00 70.01 N ATOM 1307 CA GLY A 103 4.046 -21.254 -18.352 1.00 45.11 C ATOM 1308 C GLY A 103 5.443 -21.444 -17.796 1.00 62.42 C ATOM 1309 O GLY A 103 5.810 -20.828 -16.796 1.00 23.54 O ATOM 0 H GLY A 103 4.158 -19.232 -18.890 1.00 70.01 H new ATOM 0 HA2 GLY A 103 3.352 -21.078 -17.530 1.00 45.11 H new ATOM 0 HA3 GLY A 103 3.727 -22.171 -18.847 1.00 45.11 H new ATOM 1313 N GLY A 104 6.226 -22.301 -18.445 1.00 63.22 N ATOM 1314 CA GLY A 104 7.582 -22.556 -17.993 1.00 10.01 C ATOM 1315 C GLY A 104 7.708 -23.873 -17.253 1.00 51.24 C ATOM 1316 O GLY A 104 6.714 -24.422 -16.776 1.00 73.34 O ATOM 0 H GLY A 104 5.946 -22.823 -19.275 1.00 63.22 H new ATOM 0 HA2 GLY A 104 8.253 -22.560 -18.852 1.00 10.01 H new ATOM 0 HA3 GLY A 104 7.903 -21.744 -17.341 1.00 10.01 H new ATOM 1320 N CYS A 105 8.932 -24.381 -17.159 1.00 32.51 N ATOM 1321 CA CYS A 105 9.183 -25.645 -16.475 1.00 5.44 C ATOM 1322 C CYS A 105 8.532 -26.806 -17.218 1.00 51.21 C ATOM 1323 O CYS A 105 8.450 -27.920 -16.700 1.00 31.02 O ATOM 1324 CB CYS A 105 8.659 -25.584 -15.039 1.00 23.12 C ATOM 1325 SG CYS A 105 9.797 -26.261 -13.807 1.00 44.24 S ATOM 0 H CYS A 105 9.765 -23.938 -17.547 1.00 32.51 H new ATOM 0 HA CYS A 105 10.260 -25.810 -16.455 1.00 5.44 H new ATOM 0 HB2 CYS A 105 8.443 -24.546 -14.786 1.00 23.12 H new ATOM 0 HB3 CYS A 105 7.716 -26.128 -14.984 1.00 23.12 H new ATOM 0 HG CYS A 105 9.265 -26.162 -12.625 1.00 44.24 H new ATOM 1331 N ASP A 106 8.069 -26.538 -18.433 1.00 75.03 N ATOM 1332 CA ASP A 106 7.424 -27.561 -19.249 1.00 12.43 C ATOM 1333 C ASP A 106 6.855 -26.956 -20.529 1.00 50.24 C ATOM 1334 O ASP A 106 7.026 -27.507 -21.617 1.00 43.51 O ATOM 1335 CB ASP A 106 6.310 -28.247 -18.457 1.00 23.10 C ATOM 1336 CG ASP A 106 6.673 -29.664 -18.060 1.00 33.53 C ATOM 1337 OD1 ASP A 106 7.321 -30.360 -18.869 1.00 22.22 O ATOM 1338 OD2 ASP A 106 6.308 -30.078 -16.939 1.00 61.12 O ATOM 0 H ASP A 106 8.128 -25.621 -18.876 1.00 75.03 H new ATOM 0 HA ASP A 106 8.176 -28.302 -19.521 1.00 12.43 H new ATOM 0 HB2 ASP A 106 6.094 -27.665 -17.561 1.00 23.10 H new ATOM 0 HB3 ASP A 106 5.399 -28.262 -19.055 1.00 23.10 H new ATOM 1343 N ARG A 107 6.177 -25.821 -20.392 1.00 2.13 N ATOM 1344 CA ARG A 107 5.582 -25.142 -21.537 1.00 23.25 C ATOM 1345 C ARG A 107 6.635 -24.354 -22.309 1.00 64.33 C ATOM 1346 O ARG A 107 6.867 -24.600 -23.494 1.00 74.31 O ATOM 1347 CB ARG A 107 4.463 -24.206 -21.076 1.00 2.50 C ATOM 1348 CG ARG A 107 3.244 -24.221 -21.984 1.00 43.33 C ATOM 1349 CD ARG A 107 3.596 -23.774 -23.395 1.00 73.12 C ATOM 1350 NE ARG A 107 2.408 -23.616 -24.230 1.00 45.20 N ATOM 1351 CZ ARG A 107 2.380 -22.880 -25.336 1.00 4.41 C ATOM 1352 NH1 ARG A 107 3.468 -22.237 -25.736 1.00 61.44 N ATOM 1353 NH2 ARG A 107 1.261 -22.785 -26.043 1.00 34.10 N ATOM 0 H ARG A 107 6.026 -25.352 -19.499 1.00 2.13 H new ATOM 0 HA ARG A 107 5.163 -25.899 -22.200 1.00 23.25 H new ATOM 0 HB2 ARG A 107 4.158 -24.487 -20.068 1.00 2.50 H new ATOM 0 HB3 ARG A 107 4.851 -23.189 -21.020 1.00 2.50 H new ATOM 0 HG2 ARG A 107 2.823 -25.226 -22.014 1.00 43.33 H new ATOM 0 HG3 ARG A 107 2.475 -23.566 -21.574 1.00 43.33 H new ATOM 0 HD2 ARG A 107 4.137 -22.829 -23.352 1.00 73.12 H new ATOM 0 HD3 ARG A 107 4.265 -24.504 -23.851 1.00 73.12 H new ATOM 0 HE ARG A 107 1.553 -24.097 -23.949 1.00 45.20 H new ATOM 0 HH11 ARG A 107 4.330 -22.306 -25.194 1.00 61.44 H new ATOM 0 HH12 ARG A 107 3.444 -21.673 -26.585 1.00 61.44 H new ATOM 0 HH21 ARG A 107 0.421 -23.277 -25.738 1.00 34.10 H new ATOM 0 HH22 ARG A 107 1.240 -22.220 -26.892 1.00 34.10 H new ATOM 1367 N THR A 108 7.270 -23.404 -21.631 1.00 44.55 N ATOM 1368 CA THR A 108 8.297 -22.577 -22.254 1.00 51.20 C ATOM 1369 C THR A 108 9.506 -23.414 -22.657 1.00 45.30 C ATOM 1370 O THR A 108 10.316 -22.994 -23.484 1.00 41.32 O ATOM 1371 CB THR A 108 8.758 -21.449 -21.312 1.00 0.40 C ATOM 1372 OG1 THR A 108 7.671 -21.030 -20.481 1.00 73.01 O ATOM 1373 CG2 THR A 108 9.283 -20.262 -22.105 1.00 65.42 C ATOM 0 H THR A 108 7.092 -23.188 -20.650 1.00 44.55 H new ATOM 0 HA THR A 108 7.851 -22.136 -23.145 1.00 51.20 H new ATOM 0 HB THR A 108 9.564 -21.834 -20.688 1.00 0.40 H new ATOM 0 HG1 THR A 108 7.416 -20.113 -20.714 1.00 73.01 H new ATOM 0 HG21 THR A 108 9.603 -19.478 -21.418 1.00 65.42 H new ATOM 0 HG22 THR A 108 10.130 -20.578 -22.715 1.00 65.42 H new ATOM 0 HG23 THR A 108 8.494 -19.878 -22.751 1.00 65.42 H new ATOM 1381 N PHE A 109 9.622 -24.599 -22.068 1.00 65.35 N ATOM 1382 CA PHE A 109 10.734 -25.495 -22.366 1.00 4.43 C ATOM 1383 C PHE A 109 10.448 -26.320 -23.617 1.00 30.35 C ATOM 1384 O PHE A 109 11.239 -26.331 -24.560 1.00 12.12 O ATOM 1385 CB PHE A 109 11.001 -26.423 -21.179 1.00 72.11 C ATOM 1386 CG PHE A 109 12.447 -26.803 -21.028 1.00 54.02 C ATOM 1387 CD1 PHE A 109 13.117 -27.451 -22.053 1.00 34.21 C ATOM 1388 CD2 PHE A 109 13.135 -26.511 -19.863 1.00 1.44 C ATOM 1389 CE1 PHE A 109 14.446 -27.802 -21.917 1.00 21.52 C ATOM 1390 CE2 PHE A 109 14.465 -26.859 -19.720 1.00 30.01 C ATOM 1391 CZ PHE A 109 15.121 -27.505 -20.749 1.00 25.41 C ATOM 0 H PHE A 109 8.960 -24.962 -21.382 1.00 65.35 H new ATOM 0 HA PHE A 109 11.619 -24.886 -22.549 1.00 4.43 H new ATOM 0 HB2 PHE A 109 10.664 -25.935 -20.264 1.00 72.11 H new ATOM 0 HB3 PHE A 109 10.406 -27.329 -21.295 1.00 72.11 H new ATOM 0 HD1 PHE A 109 12.594 -27.684 -22.969 1.00 34.21 H new ATOM 0 HD2 PHE A 109 12.626 -26.005 -19.056 1.00 1.44 H new ATOM 0 HE1 PHE A 109 14.957 -28.308 -22.723 1.00 21.52 H new ATOM 0 HE2 PHE A 109 14.990 -26.626 -18.805 1.00 30.01 H new ATOM 0 HZ PHE A 109 16.160 -27.778 -20.641 1.00 25.41 H new ATOM 1401 N GLN A 110 9.311 -27.010 -23.616 1.00 40.34 N ATOM 1402 CA GLN A 110 8.920 -27.839 -24.751 1.00 22.14 C ATOM 1403 C GLN A 110 8.564 -26.977 -25.956 1.00 74.44 C ATOM 1404 O GLN A 110 8.946 -27.284 -27.086 1.00 11.21 O ATOM 1405 CB GLN A 110 7.734 -28.728 -24.374 1.00 44.11 C ATOM 1406 CG GLN A 110 7.627 -29.988 -25.218 1.00 22.30 C ATOM 1407 CD GLN A 110 8.157 -31.216 -24.503 1.00 51.22 C ATOM 1408 OE1 GLN A 110 9.068 -31.885 -24.989 1.00 23.43 O ATOM 1409 NE2 GLN A 110 7.587 -31.518 -23.343 1.00 32.15 N ATOM 0 H GLN A 110 8.645 -27.011 -22.843 1.00 40.34 H new ATOM 0 HA GLN A 110 9.767 -28.471 -25.018 1.00 22.14 H new ATOM 0 HB2 GLN A 110 7.821 -29.010 -23.325 1.00 44.11 H new ATOM 0 HB3 GLN A 110 6.813 -28.154 -24.475 1.00 44.11 H new ATOM 0 HG2 GLN A 110 6.584 -30.152 -25.489 1.00 22.30 H new ATOM 0 HG3 GLN A 110 8.179 -29.846 -26.147 1.00 22.30 H new ATOM 0 HE21 GLN A 110 6.834 -30.935 -22.978 1.00 32.15 H new ATOM 0 HE22 GLN A 110 7.902 -32.333 -22.817 1.00 32.15 H new ATOM 1418 N ALA A 111 7.827 -25.899 -25.710 1.00 42.11 N ATOM 1419 CA ALA A 111 7.419 -24.992 -26.777 1.00 23.34 C ATOM 1420 C ALA A 111 8.623 -24.519 -27.585 1.00 73.31 C ATOM 1421 O ALA A 111 8.518 -24.272 -28.787 1.00 31.13 O ATOM 1422 CB ALA A 111 6.669 -23.801 -26.198 1.00 62.12 C ATOM 0 H ALA A 111 7.500 -25.632 -24.781 1.00 42.11 H new ATOM 0 HA ALA A 111 6.754 -25.535 -27.449 1.00 23.34 H new ATOM 0 HB1 ALA A 111 6.370 -23.132 -27.005 1.00 62.12 H new ATOM 0 HB2 ALA A 111 5.782 -24.151 -25.670 1.00 62.12 H new ATOM 0 HB3 ALA A 111 7.317 -23.266 -25.504 1.00 62.12 H new ATOM 1428 N HIS A 112 9.766 -24.395 -26.919 1.00 24.31 N ATOM 1429 CA HIS A 112 10.991 -23.952 -27.577 1.00 74.21 C ATOM 1430 C HIS A 112 11.552 -25.049 -28.476 1.00 70.42 C ATOM 1431 O HIS A 112 12.252 -24.769 -29.449 1.00 5.32 O ATOM 1432 CB HIS A 112 12.034 -23.545 -26.536 1.00 43.43 C ATOM 1433 CG HIS A 112 13.378 -23.239 -27.125 1.00 30.22 C ATOM 1434 ND1 HIS A 112 14.563 -23.647 -26.548 1.00 53.35 N ATOM 1435 CD2 HIS A 112 13.720 -22.563 -28.246 1.00 10.35 C ATOM 1436 CE1 HIS A 112 15.575 -23.233 -27.288 1.00 11.22 C ATOM 1437 NE2 HIS A 112 15.091 -22.572 -28.324 1.00 60.55 N ATOM 0 H HIS A 112 9.870 -24.595 -25.924 1.00 24.31 H new ATOM 0 HA HIS A 112 10.750 -23.088 -28.196 1.00 74.21 H new ATOM 0 HB2 HIS A 112 11.675 -22.669 -25.996 1.00 43.43 H new ATOM 0 HB3 HIS A 112 12.140 -24.348 -25.806 1.00 43.43 H new ATOM 0 HD2 HIS A 112 13.041 -22.102 -28.948 1.00 10.35 H new ATOM 0 HE1 HIS A 112 16.621 -23.406 -27.081 1.00 11.22 H new ATOM 0 HE2 HIS A 112 15.646 -22.139 -29.062 1.00 60.55 H new ATOM 1445 N GLN A 113 11.240 -26.297 -28.144 1.00 70.21 N ATOM 1446 CA GLN A 113 11.714 -27.436 -28.921 1.00 41.45 C ATOM 1447 C GLN A 113 10.738 -27.775 -30.042 1.00 71.22 C ATOM 1448 O GLN A 113 11.145 -28.075 -31.164 1.00 61.22 O ATOM 1449 CB GLN A 113 11.912 -28.652 -28.015 1.00 75.44 C ATOM 1450 CG GLN A 113 12.547 -28.316 -26.676 1.00 21.54 C ATOM 1451 CD GLN A 113 13.584 -27.216 -26.781 1.00 40.23 C ATOM 1452 OE1 GLN A 113 14.485 -27.341 -27.748 1.00 1.12 O flip ATOM 1453 NE2 GLN A 113 13.575 -26.262 -26.002 1.00 25.21 N flip ATOM 0 H GLN A 113 10.661 -26.545 -27.342 1.00 70.21 H new ATOM 0 HA GLN A 113 12.671 -27.165 -29.368 1.00 41.45 H new ATOM 0 HB2 GLN A 113 10.946 -29.126 -27.841 1.00 75.44 H new ATOM 0 HB3 GLN A 113 12.536 -29.381 -28.531 1.00 75.44 H new ATOM 0 HG2 GLN A 113 11.769 -28.011 -25.976 1.00 21.54 H new ATOM 0 HG3 GLN A 113 13.013 -29.211 -26.265 1.00 21.54 H new ATOM 0 HE21 GLN A 113 12.864 -26.206 -25.273 1.00 25.21 H new ATOM 0 HE22 GLN A 113 14.279 -25.528 -26.086 1.00 25.21 H new ATOM 1462 N ASN A 114 9.447 -27.725 -29.731 1.00 60.43 N ATOM 1463 CA ASN A 114 8.411 -28.029 -30.713 1.00 21.13 C ATOM 1464 C ASN A 114 8.141 -26.824 -31.608 1.00 64.22 C ATOM 1465 O ASN A 114 7.546 -26.952 -32.677 1.00 63.14 O ATOM 1466 CB ASN A 114 7.121 -28.454 -30.009 1.00 35.12 C ATOM 1467 CG ASN A 114 7.175 -29.888 -29.519 1.00 43.12 C ATOM 1468 OD1 ASN A 114 8.058 -30.154 -28.563 1.00 43.32 O flip ATOM 1469 ND2 ASN A 114 6.431 -30.747 -29.994 1.00 43.42 N flip ATOM 0 H ASN A 114 9.093 -27.477 -28.807 1.00 60.43 H new ATOM 0 HA ASN A 114 8.765 -28.851 -31.336 1.00 21.13 H new ATOM 0 HB2 ASN A 114 6.936 -27.791 -29.164 1.00 35.12 H new ATOM 0 HB3 ASN A 114 6.281 -28.339 -30.694 1.00 35.12 H new ATOM 0 HD21 ASN A 114 5.767 -30.498 -30.727 1.00 43.42 H new ATOM 0 HD22 ASN A 114 6.478 -31.707 -29.654 1.00 43.42 H new ATOM 1476 N GLY A 115 8.586 -25.652 -31.164 1.00 52.44 N ATOM 1477 CA GLY A 115 8.383 -24.440 -31.938 1.00 61.12 C ATOM 1478 C GLY A 115 7.183 -23.645 -31.466 1.00 42.31 C ATOM 1479 O GLY A 115 6.946 -22.529 -31.931 1.00 31.31 O ATOM 0 H GLY A 115 9.083 -25.520 -30.283 1.00 52.44 H new ATOM 0 HA2 GLY A 115 9.275 -23.818 -31.873 1.00 61.12 H new ATOM 0 HA3 GLY A 115 8.252 -24.701 -32.988 1.00 61.12 H new ATOM 1483 N LEU A 116 6.421 -24.219 -30.542 1.00 55.40 N ATOM 1484 CA LEU A 116 5.236 -23.556 -30.008 1.00 70.41 C ATOM 1485 C LEU A 116 5.605 -22.236 -29.340 1.00 23.43 C ATOM 1486 O LEU A 116 4.752 -21.371 -29.136 1.00 12.04 O ATOM 1487 CB LEU A 116 4.526 -24.468 -29.005 1.00 3.05 C ATOM 1488 CG LEU A 116 3.000 -24.500 -29.089 1.00 61.34 C ATOM 1489 CD1 LEU A 116 2.431 -23.093 -29.002 1.00 22.24 C ATOM 1490 CD2 LEU A 116 2.552 -25.180 -30.376 1.00 12.41 C ATOM 0 H LEU A 116 6.602 -25.142 -30.147 1.00 55.40 H new ATOM 0 HA LEU A 116 4.562 -23.345 -30.839 1.00 70.41 H new ATOM 0 HB2 LEU A 116 4.899 -25.483 -29.141 1.00 3.05 H new ATOM 0 HB3 LEU A 116 4.808 -24.157 -27.999 1.00 3.05 H new ATOM 0 HG LEU A 116 2.620 -25.076 -28.245 1.00 61.34 H new ATOM 0 HD11 LEU A 116 1.344 -23.136 -29.064 1.00 22.24 H new ATOM 0 HD12 LEU A 116 2.723 -22.640 -28.055 1.00 22.24 H new ATOM 0 HD13 LEU A 116 2.818 -22.493 -29.826 1.00 22.24 H new ATOM 0 HD21 LEU A 116 1.463 -25.194 -30.420 1.00 12.41 H new ATOM 0 HD22 LEU A 116 2.943 -24.631 -31.233 1.00 12.41 H new ATOM 0 HD23 LEU A 116 2.929 -26.202 -30.398 1.00 12.41 H new ATOM 1502 N LEU A 117 6.882 -22.086 -29.003 1.00 35.21 N ATOM 1503 CA LEU A 117 7.365 -20.869 -28.360 1.00 23.14 C ATOM 1504 C LEU A 117 7.757 -19.823 -29.398 1.00 55.43 C ATOM 1505 O LEU A 117 7.294 -18.684 -29.350 1.00 13.24 O ATOM 1506 CB LEU A 117 8.562 -21.185 -27.461 1.00 62.12 C ATOM 1507 CG LEU A 117 8.776 -20.247 -26.273 1.00 14.42 C ATOM 1508 CD1 LEU A 117 7.608 -20.340 -25.302 1.00 44.13 C ATOM 1509 CD2 LEU A 117 10.085 -20.568 -25.567 1.00 52.12 C ATOM 0 H LEU A 117 7.601 -22.792 -29.164 1.00 35.21 H new ATOM 0 HA LEU A 117 6.557 -20.464 -27.751 1.00 23.14 H new ATOM 0 HB2 LEU A 117 8.447 -22.200 -27.081 1.00 62.12 H new ATOM 0 HB3 LEU A 117 9.464 -21.174 -28.074 1.00 62.12 H new ATOM 0 HG LEU A 117 8.830 -19.225 -26.648 1.00 14.42 H new ATOM 0 HD11 LEU A 117 7.778 -19.665 -24.463 1.00 44.13 H new ATOM 0 HD12 LEU A 117 6.687 -20.059 -25.813 1.00 44.13 H new ATOM 0 HD13 LEU A 117 7.521 -21.362 -24.934 1.00 44.13 H new ATOM 0 HD21 LEU A 117 10.220 -19.890 -24.724 1.00 52.12 H new ATOM 0 HD22 LEU A 117 10.061 -21.596 -25.205 1.00 52.12 H new ATOM 0 HD23 LEU A 117 10.914 -20.448 -26.265 1.00 52.12 H new ATOM 1521 N GLN A 118 8.610 -20.219 -30.337 1.00 12.31 N ATOM 1522 CA GLN A 118 9.061 -19.315 -31.389 1.00 22.23 C ATOM 1523 C GLN A 118 7.878 -18.760 -32.176 1.00 21.35 C ATOM 1524 O GLN A 118 7.898 -17.613 -32.621 1.00 3.32 O ATOM 1525 CB GLN A 118 10.023 -20.037 -32.333 1.00 20.12 C ATOM 1526 CG GLN A 118 9.328 -20.960 -33.321 1.00 14.22 C ATOM 1527 CD GLN A 118 10.285 -21.564 -34.329 1.00 25.23 C ATOM 1528 OE1 GLN A 118 10.327 -22.781 -34.511 1.00 24.13 O ATOM 1529 NE2 GLN A 118 11.060 -20.714 -34.992 1.00 25.52 N ATOM 0 H GLN A 118 9.003 -21.159 -30.391 1.00 12.31 H new ATOM 0 HA GLN A 118 9.582 -18.482 -30.918 1.00 22.23 H new ATOM 0 HB2 GLN A 118 10.601 -19.296 -32.885 1.00 20.12 H new ATOM 0 HB3 GLN A 118 10.731 -20.618 -31.742 1.00 20.12 H new ATOM 0 HG2 GLN A 118 8.829 -21.761 -32.775 1.00 14.22 H new ATOM 0 HG3 GLN A 118 8.554 -20.404 -33.849 1.00 14.22 H new ATOM 0 HE21 GLN A 118 10.992 -19.713 -34.809 1.00 25.52 H new ATOM 0 HE22 GLN A 118 11.723 -21.062 -35.684 1.00 25.52 H new ATOM 1538 N LYS A 119 6.849 -19.583 -32.344 1.00 13.34 N ATOM 1539 CA LYS A 119 5.655 -19.175 -33.076 1.00 13.22 C ATOM 1540 C LYS A 119 4.786 -18.251 -32.228 1.00 42.42 C ATOM 1541 O LYS A 119 3.971 -17.492 -32.755 1.00 45.23 O ATOM 1542 CB LYS A 119 4.847 -20.403 -33.500 1.00 24.41 C ATOM 1543 CG LYS A 119 4.385 -21.260 -32.335 1.00 14.04 C ATOM 1544 CD LYS A 119 3.026 -20.815 -31.821 1.00 53.31 C ATOM 1545 CE LYS A 119 1.914 -21.723 -32.326 1.00 21.05 C ATOM 1546 NZ LYS A 119 1.223 -21.148 -33.512 1.00 2.41 N ATOM 0 H LYS A 119 6.817 -20.537 -31.983 1.00 13.34 H new ATOM 0 HA LYS A 119 5.973 -18.632 -33.966 1.00 13.22 H new ATOM 0 HB2 LYS A 119 3.976 -20.076 -34.067 1.00 24.41 H new ATOM 0 HB3 LYS A 119 5.453 -21.012 -34.170 1.00 24.41 H new ATOM 0 HG2 LYS A 119 4.333 -22.303 -32.647 1.00 14.04 H new ATOM 0 HG3 LYS A 119 5.116 -21.204 -31.529 1.00 14.04 H new ATOM 0 HD2 LYS A 119 3.030 -20.815 -30.731 1.00 53.31 H new ATOM 0 HD3 LYS A 119 2.833 -19.790 -32.139 1.00 53.31 H new ATOM 0 HE2 LYS A 119 2.330 -22.697 -32.585 1.00 21.05 H new ATOM 0 HE3 LYS A 119 1.190 -21.888 -31.528 1.00 21.05 H new ATOM 0 HZ1 LYS A 119 0.473 -21.797 -33.825 1.00 2.41 H new ATOM 0 HZ2 LYS A 119 0.804 -20.231 -33.259 1.00 2.41 H new ATOM 0 HZ3 LYS A 119 1.909 -21.014 -34.282 1.00 2.41 H new ATOM 1560 N LEU A 120 4.965 -18.319 -30.914 1.00 10.52 N ATOM 1561 CA LEU A 120 4.198 -17.486 -29.993 1.00 62.11 C ATOM 1562 C LEU A 120 4.823 -16.101 -29.861 1.00 44.03 C ATOM 1563 O LEU A 120 4.125 -15.087 -29.893 1.00 72.33 O ATOM 1564 CB LEU A 120 4.116 -18.153 -28.619 1.00 61.14 C ATOM 1565 CG LEU A 120 3.334 -17.392 -27.549 1.00 11.52 C ATOM 1566 CD1 LEU A 120 2.079 -18.156 -27.159 1.00 35.41 C ATOM 1567 CD2 LEU A 120 4.207 -17.139 -26.328 1.00 65.22 C ATOM 0 H LEU A 120 5.634 -18.942 -30.462 1.00 10.52 H new ATOM 0 HA LEU A 120 3.192 -17.373 -30.397 1.00 62.11 H new ATOM 0 HB2 LEU A 120 3.662 -19.137 -28.741 1.00 61.14 H new ATOM 0 HB3 LEU A 120 5.131 -18.313 -28.254 1.00 61.14 H new ATOM 0 HG LEU A 120 3.034 -16.429 -27.963 1.00 11.52 H new ATOM 0 HD11 LEU A 120 1.536 -17.598 -26.396 1.00 35.41 H new ATOM 0 HD12 LEU A 120 1.444 -18.285 -28.036 1.00 35.41 H new ATOM 0 HD13 LEU A 120 2.356 -19.134 -26.765 1.00 35.41 H new ATOM 0 HD21 LEU A 120 3.633 -16.596 -25.577 1.00 65.22 H new ATOM 0 HD22 LEU A 120 4.538 -18.091 -25.914 1.00 65.22 H new ATOM 0 HD23 LEU A 120 5.076 -16.548 -26.618 1.00 65.22 H new ATOM 1579 N LEU A 121 6.143 -16.065 -29.715 1.00 51.45 N ATOM 1580 CA LEU A 121 6.863 -14.803 -29.582 1.00 24.34 C ATOM 1581 C LEU A 121 6.663 -13.928 -30.814 1.00 62.41 C ATOM 1582 O LEU A 121 6.808 -12.708 -30.751 1.00 24.34 O ATOM 1583 CB LEU A 121 8.355 -15.066 -29.365 1.00 61.22 C ATOM 1584 CG LEU A 121 8.714 -15.952 -28.172 1.00 25.24 C ATOM 1585 CD1 LEU A 121 10.191 -15.818 -27.833 1.00 32.25 C ATOM 1586 CD2 LEU A 121 7.855 -15.598 -26.967 1.00 40.33 C ATOM 0 H LEU A 121 6.736 -16.894 -29.686 1.00 51.45 H new ATOM 0 HA LEU A 121 6.463 -14.274 -28.717 1.00 24.34 H new ATOM 0 HB2 LEU A 121 8.757 -15.526 -30.268 1.00 61.22 H new ATOM 0 HB3 LEU A 121 8.859 -14.107 -29.244 1.00 61.22 H new ATOM 0 HG LEU A 121 8.516 -16.989 -28.442 1.00 25.24 H new ATOM 0 HD11 LEU A 121 10.428 -16.456 -26.981 1.00 32.25 H new ATOM 0 HD12 LEU A 121 10.790 -16.121 -28.691 1.00 32.25 H new ATOM 0 HD13 LEU A 121 10.414 -14.781 -27.583 1.00 32.25 H new ATOM 0 HD21 LEU A 121 8.124 -16.239 -26.127 1.00 40.33 H new ATOM 0 HD22 LEU A 121 8.021 -14.555 -26.696 1.00 40.33 H new ATOM 0 HD23 LEU A 121 6.804 -15.746 -27.214 1.00 40.33 H new