USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 844 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 Single : A 1 GLY N :NH3+ -122:sc= 0.0593 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -42:sc= 0.0662 USER MOD Single : A 5 THR OG1 : rot -34:sc= 0.231 USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= 1.13 (180deg=0.0183) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000921 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.795 (180deg=0.671) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 166:sc= -7.62! (180deg=-8.9!) USER MOD Single : A 35 CYS SG : rot -15:sc= 0.747 USER MOD Single : A 36 SER OG : rot 78:sc= 0.14 USER MOD Single : A 37 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 38 TYR OH : rot 153:sc= 1.23 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 102:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -170:sc= -0.771 USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 1 (180deg=0.315) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.245 K(o=-0.24,f=-5!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.31) USER MOD Single : A 82 MET CE :methyl 174:sc= -0.121 (180deg=-0.161) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.0335 F(o=-0.54,f=-0.034) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 88 ASN : amide:sc= 0.409 X(o=0.41,f=-0.069) USER MOD Single : A 89 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.079) USER MOD Single : A 91 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.9!) USER MOD Single : A 98 ASN : amide:sc= 0.365 X(o=0.36,f=-0.088) USER MOD Single : A 99 SER OG : rot 180:sc= 0.124 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.023 1.036 6.607 1.00 64.44 N ATOM 2 CA GLY A 1 -21.582 1.289 6.670 1.00 44.32 C ATOM 3 C GLY A 1 -20.809 0.283 5.836 1.00 45.02 C ATOM 4 O GLY A 1 -21.368 -0.458 5.022 1.00 52.54 O ATOM 0 H1 GLY A 1 -23.509 1.882 6.247 1.00 64.44 H new ATOM 0 H2 GLY A 1 -23.207 0.234 5.971 1.00 64.44 H new ATOM 0 H3 GLY A 1 -23.378 0.812 7.558 1.00 64.44 H new ATOM 0 HA2 GLY A 1 -21.372 2.298 6.314 1.00 44.32 H new ATOM 0 HA3 GLY A 1 -21.247 1.240 7.706 1.00 44.32 H new ATOM 8 N MET A 2 -19.487 0.275 6.006 1.00 60.40 N ATOM 9 CA MET A 2 -18.553 -0.455 5.158 1.00 24.43 C ATOM 10 C MET A 2 -17.597 -1.215 6.076 1.00 33.54 C ATOM 11 O MET A 2 -16.396 -0.942 6.112 1.00 53.32 O ATOM 12 CB MET A 2 -17.845 0.499 4.171 1.00 73.54 C ATOM 13 CG MET A 2 -18.778 1.155 3.140 1.00 25.13 C ATOM 14 SD MET A 2 -19.829 2.504 3.747 1.00 51.35 S ATOM 15 CE MET A 2 -20.866 2.759 2.286 1.00 50.14 C ATOM 0 H MET A 2 -19.027 0.790 6.757 1.00 60.40 H new ATOM 0 HA MET A 2 -19.069 -1.178 4.526 1.00 24.43 H new ATOM 0 HB2 MET A 2 -17.343 1.283 4.739 1.00 73.54 H new ATOM 0 HB3 MET A 2 -17.071 -0.056 3.641 1.00 73.54 H new ATOM 0 HG2 MET A 2 -18.168 1.539 2.322 1.00 25.13 H new ATOM 0 HG3 MET A 2 -19.422 0.382 2.721 1.00 25.13 H new ATOM 0 HE1 MET A 2 -21.579 3.560 2.481 1.00 50.14 H new ATOM 0 HE2 MET A 2 -20.238 3.030 1.437 1.00 50.14 H new ATOM 0 HE3 MET A 2 -21.407 1.840 2.059 1.00 50.14 H new ATOM 25 N GLY A 3 -18.158 -2.157 6.841 1.00 2.01 N ATOM 26 CA GLY A 3 -17.489 -2.808 7.961 1.00 53.15 C ATOM 27 C GLY A 3 -17.743 -2.014 9.237 1.00 25.53 C ATOM 28 O GLY A 3 -17.800 -0.791 9.167 1.00 1.45 O ATOM 0 H GLY A 3 -19.110 -2.492 6.692 1.00 2.01 H new ATOM 0 HA2 GLY A 3 -17.857 -3.828 8.075 1.00 53.15 H new ATOM 0 HA3 GLY A 3 -16.418 -2.875 7.769 1.00 53.15 H new ATOM 32 N THR A 4 -17.932 -2.702 10.376 1.00 51.23 N ATOM 33 CA THR A 4 -17.935 -2.236 11.783 1.00 74.35 C ATOM 34 C THR A 4 -18.713 -0.929 12.111 1.00 73.24 C ATOM 35 O THR A 4 -18.636 -0.398 13.218 1.00 2.24 O ATOM 36 CB THR A 4 -16.487 -2.301 12.312 1.00 11.13 C ATOM 37 OG1 THR A 4 -16.456 -2.421 13.721 1.00 23.23 O ATOM 38 CG2 THR A 4 -15.618 -1.122 11.879 1.00 33.23 C ATOM 0 H THR A 4 -18.105 -3.706 10.334 1.00 51.23 H new ATOM 0 HA THR A 4 -18.563 -2.925 12.347 1.00 74.35 H new ATOM 0 HB THR A 4 -16.061 -3.196 11.858 1.00 11.13 H new ATOM 0 HG1 THR A 4 -17.130 -1.829 14.115 1.00 23.23 H new ATOM 0 HG21 THR A 4 -14.615 -1.239 12.290 1.00 33.23 H new ATOM 0 HG22 THR A 4 -15.563 -1.091 10.791 1.00 33.23 H new ATOM 0 HG23 THR A 4 -16.055 -0.194 12.247 1.00 33.23 H new ATOM 46 N THR A 5 -19.496 -0.425 11.160 1.00 72.22 N ATOM 47 CA THR A 5 -20.147 0.870 11.036 1.00 63.51 C ATOM 48 C THR A 5 -19.243 2.108 11.077 1.00 23.53 C ATOM 49 O THR A 5 -19.740 3.228 10.937 1.00 52.03 O ATOM 50 CB THR A 5 -21.439 0.910 11.862 1.00 61.10 C ATOM 51 OG1 THR A 5 -22.307 1.865 11.291 1.00 10.33 O ATOM 52 CG2 THR A 5 -21.321 1.245 13.352 1.00 34.31 C ATOM 0 H THR A 5 -19.716 -1.000 10.347 1.00 72.22 H new ATOM 0 HA THR A 5 -20.459 0.961 9.995 1.00 63.51 H new ATOM 0 HB THR A 5 -21.799 -0.118 11.827 1.00 61.10 H new ATOM 0 HG1 THR A 5 -21.782 2.606 10.923 1.00 10.33 H new ATOM 0 HG21 THR A 5 -22.312 1.237 13.806 1.00 34.31 H new ATOM 0 HG22 THR A 5 -20.691 0.503 13.843 1.00 34.31 H new ATOM 0 HG23 THR A 5 -20.876 2.233 13.469 1.00 34.31 H new ATOM 60 N GLU A 6 -17.929 1.939 11.128 1.00 5.43 N ATOM 61 CA GLU A 6 -16.958 2.990 10.840 1.00 12.10 C ATOM 62 C GLU A 6 -15.715 2.429 10.128 1.00 14.14 C ATOM 63 O GLU A 6 -15.757 1.354 9.535 1.00 45.23 O ATOM 64 CB GLU A 6 -16.661 3.834 12.090 1.00 4.22 C ATOM 65 CG GLU A 6 -15.939 3.098 13.233 1.00 23.22 C ATOM 66 CD GLU A 6 -15.221 4.055 14.214 1.00 14.31 C ATOM 67 OE1 GLU A 6 -15.327 5.294 14.030 1.00 63.53 O ATOM 68 OE2 GLU A 6 -14.519 3.571 15.133 1.00 54.42 O ATOM 0 H GLU A 6 -17.497 1.049 11.376 1.00 5.43 H new ATOM 0 HA GLU A 6 -17.396 3.688 10.126 1.00 12.10 H new ATOM 0 HB2 GLU A 6 -16.055 4.690 11.793 1.00 4.22 H new ATOM 0 HB3 GLU A 6 -17.603 4.228 12.473 1.00 4.22 H new ATOM 0 HG2 GLU A 6 -16.663 2.498 13.785 1.00 23.22 H new ATOM 0 HG3 GLU A 6 -15.210 2.408 12.809 1.00 23.22 H new ATOM 75 N LYS A 7 -14.632 3.201 10.083 1.00 42.04 N ATOM 76 CA LYS A 7 -13.334 2.853 9.521 1.00 23.24 C ATOM 77 C LYS A 7 -12.304 3.201 10.585 1.00 71.24 C ATOM 78 O LYS A 7 -12.464 4.239 11.233 1.00 25.53 O ATOM 79 CB LYS A 7 -13.087 3.592 8.206 1.00 13.13 C ATOM 80 CG LYS A 7 -13.432 5.087 8.205 1.00 70.21 C ATOM 81 CD LYS A 7 -12.900 5.727 6.922 1.00 42.32 C ATOM 82 CE LYS A 7 -13.567 7.090 6.702 1.00 25.22 C ATOM 83 NZ LYS A 7 -14.420 7.103 5.496 1.00 63.32 N ATOM 0 H LYS A 7 -14.641 4.147 10.463 1.00 42.04 H new ATOM 0 HA LYS A 7 -13.276 1.794 9.270 1.00 23.24 H new ATOM 0 HB2 LYS A 7 -12.036 3.481 7.941 1.00 13.13 H new ATOM 0 HB3 LYS A 7 -13.667 3.104 7.422 1.00 13.13 H new ATOM 0 HG2 LYS A 7 -14.511 5.223 8.273 1.00 70.21 H new ATOM 0 HG3 LYS A 7 -12.994 5.574 9.077 1.00 70.21 H new ATOM 0 HD2 LYS A 7 -11.819 5.848 6.987 1.00 42.32 H new ATOM 0 HD3 LYS A 7 -13.097 5.075 6.071 1.00 42.32 H new ATOM 0 HE2 LYS A 7 -14.169 7.343 7.574 1.00 25.22 H new ATOM 0 HE3 LYS A 7 -12.799 7.858 6.611 1.00 25.22 H new ATOM 0 HZ1 LYS A 7 -15.297 7.624 5.697 1.00 63.32 H new ATOM 0 HZ2 LYS A 7 -13.912 7.568 4.716 1.00 63.32 H new ATOM 0 HZ3 LYS A 7 -14.652 6.126 5.224 1.00 63.32 H new ATOM 97 N SER A 8 -11.298 2.354 10.786 1.00 61.02 N ATOM 98 CA SER A 8 -10.280 2.558 11.806 1.00 4.43 C ATOM 99 C SER A 8 -9.285 3.645 11.406 1.00 54.22 C ATOM 100 O SER A 8 -9.234 4.046 10.237 1.00 34.31 O ATOM 101 CB SER A 8 -9.607 1.220 12.140 1.00 74.14 C ATOM 102 OG SER A 8 -9.651 0.261 11.093 1.00 2.53 O ATOM 0 H SER A 8 -11.168 1.502 10.241 1.00 61.02 H new ATOM 0 HA SER A 8 -10.757 2.924 12.715 1.00 4.43 H new ATOM 0 HB2 SER A 8 -8.565 1.407 12.401 1.00 74.14 H new ATOM 0 HB3 SER A 8 -10.086 0.797 13.023 1.00 74.14 H new ATOM 0 HG SER A 8 -9.201 -0.560 11.382 1.00 2.53 H new ATOM 108 N GLY A 9 -8.455 4.091 12.359 1.00 10.13 N ATOM 109 CA GLY A 9 -7.451 5.146 12.220 1.00 44.23 C ATOM 110 C GLY A 9 -6.249 4.759 11.355 1.00 32.30 C ATOM 111 O GLY A 9 -5.156 5.309 11.507 1.00 74.25 O ATOM 0 H GLY A 9 -8.470 3.700 13.301 1.00 10.13 H new ATOM 0 HA2 GLY A 9 -7.925 6.028 11.790 1.00 44.23 H new ATOM 0 HA3 GLY A 9 -7.095 5.427 13.211 1.00 44.23 H new ATOM 115 N ILE A 10 -6.457 3.826 10.439 1.00 53.12 N ATOM 116 CA ILE A 10 -5.523 3.322 9.469 1.00 40.55 C ATOM 117 C ILE A 10 -5.246 4.450 8.471 1.00 14.35 C ATOM 118 O ILE A 10 -6.171 5.102 7.974 1.00 43.34 O ATOM 119 CB ILE A 10 -6.160 2.072 8.827 1.00 4.51 C ATOM 120 CG1 ILE A 10 -6.312 0.934 9.862 1.00 73.34 C ATOM 121 CG2 ILE A 10 -5.320 1.591 7.653 1.00 10.22 C ATOM 122 CD1 ILE A 10 -6.856 -0.394 9.313 1.00 54.51 C ATOM 0 H ILE A 10 -7.365 3.369 10.356 1.00 53.12 H new ATOM 0 HA ILE A 10 -4.566 3.021 9.896 1.00 40.55 H new ATOM 0 HB ILE A 10 -7.151 2.349 8.468 1.00 4.51 H new ATOM 0 HG12 ILE A 10 -5.339 0.747 10.316 1.00 73.34 H new ATOM 0 HG13 ILE A 10 -6.974 1.276 10.657 1.00 73.34 H new ATOM 0 HG21 ILE A 10 -5.783 0.709 7.211 1.00 10.22 H new ATOM 0 HG22 ILE A 10 -5.256 2.380 6.904 1.00 10.22 H new ATOM 0 HG23 ILE A 10 -4.318 1.339 8.001 1.00 10.22 H new ATOM 0 HD11 ILE A 10 -6.923 -1.122 10.122 1.00 54.51 H new ATOM 0 HD12 ILE A 10 -7.846 -0.233 8.887 1.00 54.51 H new ATOM 0 HD13 ILE A 10 -6.185 -0.770 8.540 1.00 54.51 H new ATOM 134 N LYS A 11 -3.963 4.670 8.178 1.00 52.44 N ATOM 135 CA LYS A 11 -3.472 5.639 7.197 1.00 73.50 C ATOM 136 C LYS A 11 -2.346 5.028 6.358 1.00 52.24 C ATOM 137 O LYS A 11 -1.456 5.735 5.889 1.00 25.54 O ATOM 138 CB LYS A 11 -3.029 6.925 7.923 1.00 51.23 C ATOM 139 CG LYS A 11 -4.144 7.649 8.699 1.00 11.31 C ATOM 140 CD LYS A 11 -5.149 8.326 7.754 1.00 55.33 C ATOM 141 CE LYS A 11 -6.577 8.364 8.296 1.00 70.43 C ATOM 142 NZ LYS A 11 -6.819 9.390 9.327 1.00 72.45 N ATOM 0 H LYS A 11 -3.209 4.158 8.635 1.00 52.44 H new ATOM 0 HA LYS A 11 -4.272 5.903 6.506 1.00 73.50 H new ATOM 0 HB2 LYS A 11 -2.227 6.675 8.617 1.00 51.23 H new ATOM 0 HB3 LYS A 11 -2.611 7.614 7.189 1.00 51.23 H new ATOM 0 HG2 LYS A 11 -4.667 6.935 9.335 1.00 11.31 H new ATOM 0 HG3 LYS A 11 -3.702 8.398 9.357 1.00 11.31 H new ATOM 0 HD2 LYS A 11 -4.818 9.346 7.557 1.00 55.33 H new ATOM 0 HD3 LYS A 11 -5.147 7.800 6.799 1.00 55.33 H new ATOM 0 HE2 LYS A 11 -7.262 8.535 7.465 1.00 70.43 H new ATOM 0 HE3 LYS A 11 -6.819 7.386 8.712 1.00 70.43 H new ATOM 0 HZ1 LYS A 11 -7.811 9.344 9.637 1.00 72.45 H new ATOM 0 HZ2 LYS A 11 -6.194 9.219 10.140 1.00 72.45 H new ATOM 0 HZ3 LYS A 11 -6.623 10.332 8.932 1.00 72.45 H new ATOM 156 N GLU A 12 -2.318 3.710 6.188 1.00 21.41 N ATOM 157 CA GLU A 12 -1.191 3.017 5.580 1.00 24.44 C ATOM 158 C GLU A 12 -1.680 1.633 5.158 1.00 45.53 C ATOM 159 O GLU A 12 -2.367 0.985 5.937 1.00 64.31 O ATOM 160 CB GLU A 12 -0.089 2.940 6.655 1.00 60.31 C ATOM 161 CG GLU A 12 1.236 2.319 6.203 1.00 42.34 C ATOM 162 CD GLU A 12 2.252 2.485 7.335 1.00 51.30 C ATOM 163 OE1 GLU A 12 2.259 1.649 8.265 1.00 51.40 O ATOM 164 OE2 GLU A 12 3.016 3.482 7.347 1.00 2.52 O ATOM 0 H GLU A 12 -3.079 3.092 6.469 1.00 21.41 H new ATOM 0 HA GLU A 12 -0.793 3.521 4.699 1.00 24.44 H new ATOM 0 HB2 GLU A 12 0.109 3.948 7.019 1.00 60.31 H new ATOM 0 HB3 GLU A 12 -0.470 2.365 7.499 1.00 60.31 H new ATOM 0 HG2 GLU A 12 1.100 1.264 5.966 1.00 42.34 H new ATOM 0 HG3 GLU A 12 1.594 2.806 5.296 1.00 42.34 H new ATOM 171 N ILE A 13 -1.366 1.185 3.943 1.00 12.13 N ATOM 172 CA ILE A 13 -1.492 -0.219 3.527 1.00 72.05 C ATOM 173 C ILE A 13 -0.095 -0.817 3.413 1.00 24.21 C ATOM 174 O ILE A 13 0.893 -0.079 3.378 1.00 41.20 O ATOM 175 CB ILE A 13 -2.222 -0.371 2.179 1.00 42.10 C ATOM 176 CG1 ILE A 13 -1.587 0.473 1.051 1.00 30.20 C ATOM 177 CG2 ILE A 13 -3.707 -0.064 2.316 1.00 62.41 C ATOM 178 CD1 ILE A 13 -0.813 -0.385 0.056 1.00 44.03 C ATOM 0 H ILE A 13 -1.011 1.794 3.206 1.00 12.13 H new ATOM 0 HA ILE A 13 -2.086 -0.741 4.277 1.00 72.05 H new ATOM 0 HB ILE A 13 -2.110 -1.416 1.889 1.00 42.10 H new ATOM 0 HG12 ILE A 13 -2.369 1.020 0.525 1.00 30.20 H new ATOM 0 HG13 ILE A 13 -0.917 1.214 1.487 1.00 30.20 H new ATOM 0 HG21 ILE A 13 -4.193 -0.180 1.348 1.00 62.41 H new ATOM 0 HG22 ILE A 13 -4.156 -0.752 3.033 1.00 62.41 H new ATOM 0 HG23 ILE A 13 -3.836 0.960 2.666 1.00 62.41 H new ATOM 0 HD11 ILE A 13 -0.385 0.252 -0.718 1.00 44.03 H new ATOM 0 HD12 ILE A 13 -0.013 -0.912 0.575 1.00 44.03 H new ATOM 0 HD13 ILE A 13 -1.487 -1.109 -0.402 1.00 44.03 H new ATOM 190 N ILE A 14 0.011 -2.145 3.355 1.00 24.13 N ATOM 191 CA ILE A 14 1.280 -2.847 3.437 1.00 3.33 C ATOM 192 C ILE A 14 1.210 -4.039 2.481 1.00 44.13 C ATOM 193 O ILE A 14 0.800 -5.139 2.854 1.00 52.31 O ATOM 194 CB ILE A 14 1.646 -3.192 4.905 1.00 63.45 C ATOM 195 CG1 ILE A 14 1.517 -1.965 5.849 1.00 34.11 C ATOM 196 CG2 ILE A 14 3.065 -3.808 4.928 1.00 12.53 C ATOM 197 CD1 ILE A 14 1.736 -2.216 7.339 1.00 70.53 C ATOM 0 H ILE A 14 -0.793 -2.764 3.249 1.00 24.13 H new ATOM 0 HA ILE A 14 2.110 -2.218 3.116 1.00 3.33 H new ATOM 0 HB ILE A 14 0.934 -3.922 5.290 1.00 63.45 H new ATOM 0 HG12 ILE A 14 2.232 -1.209 5.523 1.00 34.11 H new ATOM 0 HG13 ILE A 14 0.522 -1.540 5.719 1.00 34.11 H new ATOM 0 HG21 ILE A 14 3.337 -4.056 5.954 1.00 12.53 H new ATOM 0 HG22 ILE A 14 3.079 -4.712 4.320 1.00 12.53 H new ATOM 0 HG23 ILE A 14 3.780 -3.090 4.526 1.00 12.53 H new ATOM 0 HD11 ILE A 14 1.618 -1.281 7.887 1.00 70.53 H new ATOM 0 HD12 ILE A 14 1.005 -2.941 7.697 1.00 70.53 H new ATOM 0 HD13 ILE A 14 2.741 -2.606 7.498 1.00 70.53 H new ATOM 209 N ILE A 15 1.576 -3.786 1.222 1.00 71.12 N ATOM 210 CA ILE A 15 1.550 -4.746 0.122 1.00 42.33 C ATOM 211 C ILE A 15 2.513 -5.867 0.469 1.00 75.35 C ATOM 212 O ILE A 15 3.718 -5.647 0.665 1.00 53.23 O ATOM 213 CB ILE A 15 1.877 -4.042 -1.216 1.00 14.21 C ATOM 214 CG1 ILE A 15 0.640 -3.164 -1.540 1.00 44.15 C ATOM 215 CG2 ILE A 15 2.191 -4.984 -2.402 1.00 70.03 C ATOM 216 CD1 ILE A 15 0.893 -2.037 -2.534 1.00 5.35 C ATOM 0 H ILE A 15 1.912 -2.868 0.932 1.00 71.12 H new ATOM 0 HA ILE A 15 0.557 -5.176 -0.012 1.00 42.33 H new ATOM 0 HB ILE A 15 2.798 -3.473 -1.090 1.00 14.21 H new ATOM 0 HG12 ILE A 15 -0.149 -3.805 -1.934 1.00 44.15 H new ATOM 0 HG13 ILE A 15 0.266 -2.732 -0.612 1.00 44.15 H new ATOM 0 HG21 ILE A 15 2.406 -4.391 -3.291 1.00 70.03 H new ATOM 0 HG22 ILE A 15 3.057 -5.600 -2.158 1.00 70.03 H new ATOM 0 HG23 ILE A 15 1.332 -5.626 -2.594 1.00 70.03 H new ATOM 0 HD11 ILE A 15 -0.030 -1.480 -2.696 1.00 5.35 H new ATOM 0 HD12 ILE A 15 1.656 -1.367 -2.138 1.00 5.35 H new ATOM 0 HD13 ILE A 15 1.234 -2.456 -3.480 1.00 5.35 H new ATOM 228 N GLN A 16 1.959 -7.072 0.582 1.00 52.22 N ATOM 229 CA GLN A 16 2.731 -8.241 0.914 1.00 51.32 C ATOM 230 C GLN A 16 3.628 -8.598 -0.269 1.00 4.42 C ATOM 231 O GLN A 16 3.252 -8.461 -1.431 1.00 1.04 O ATOM 232 CB GLN A 16 1.766 -9.388 1.289 1.00 22.00 C ATOM 233 CG GLN A 16 2.287 -10.095 2.538 1.00 70.24 C ATOM 234 CD GLN A 16 1.446 -11.279 2.994 1.00 53.22 C ATOM 235 OE1 GLN A 16 0.838 -11.989 2.197 1.00 63.04 O ATOM 236 NE2 GLN A 16 1.458 -11.509 4.292 1.00 31.24 N ATOM 0 H GLN A 16 0.965 -7.253 0.444 1.00 52.22 H new ATOM 0 HA GLN A 16 3.376 -8.056 1.773 1.00 51.32 H new ATOM 0 HB2 GLN A 16 0.766 -8.993 1.470 1.00 22.00 H new ATOM 0 HB3 GLN A 16 1.685 -10.095 0.464 1.00 22.00 H new ATOM 0 HG2 GLN A 16 3.303 -10.440 2.347 1.00 70.24 H new ATOM 0 HG3 GLN A 16 2.344 -9.372 3.352 1.00 70.24 H new ATOM 0 HE21 GLN A 16 1.978 -10.891 4.915 1.00 31.24 H new ATOM 0 HE22 GLN A 16 0.947 -12.305 4.674 1.00 31.24 H new ATOM 245 N GLY A 17 4.817 -9.128 0.019 1.00 11.31 N ATOM 246 CA GLY A 17 5.707 -9.663 -1.006 1.00 52.24 C ATOM 247 C GLY A 17 5.297 -11.065 -1.479 1.00 3.02 C ATOM 248 O GLY A 17 6.070 -11.705 -2.193 1.00 22.40 O ATOM 0 H GLY A 17 5.187 -9.197 0.967 1.00 11.31 H new ATOM 0 HA2 GLY A 17 5.719 -8.986 -1.860 1.00 52.24 H new ATOM 0 HA3 GLY A 17 6.724 -9.700 -0.615 1.00 52.24 H new ATOM 252 N LEU A 18 4.121 -11.549 -1.067 1.00 13.02 N ATOM 253 CA LEU A 18 3.520 -12.842 -1.383 1.00 15.13 C ATOM 254 C LEU A 18 2.372 -12.630 -2.365 1.00 62.45 C ATOM 255 O LEU A 18 1.687 -11.607 -2.316 1.00 41.32 O ATOM 256 CB LEU A 18 2.954 -13.468 -0.090 1.00 72.21 C ATOM 257 CG LEU A 18 3.852 -14.562 0.503 1.00 71.31 C ATOM 258 CD1 LEU A 18 5.221 -14.013 0.916 1.00 32.20 C ATOM 259 CD2 LEU A 18 3.154 -15.125 1.742 1.00 60.12 C ATOM 0 H LEU A 18 3.519 -10.999 -0.454 1.00 13.02 H new ATOM 0 HA LEU A 18 4.272 -13.500 -1.819 1.00 15.13 H new ATOM 0 HB2 LEU A 18 2.812 -12.683 0.653 1.00 72.21 H new ATOM 0 HB3 LEU A 18 1.971 -13.890 -0.300 1.00 72.21 H new ATOM 0 HG LEU A 18 4.013 -15.330 -0.254 1.00 71.31 H new ATOM 0 HD11 LEU A 18 5.826 -14.819 1.331 1.00 32.20 H new ATOM 0 HD12 LEU A 18 5.723 -13.594 0.044 1.00 32.20 H new ATOM 0 HD13 LEU A 18 5.089 -13.235 1.667 1.00 32.20 H new ATOM 0 HD21 LEU A 18 3.772 -15.906 2.184 1.00 60.12 H new ATOM 0 HD22 LEU A 18 3.003 -14.327 2.469 1.00 60.12 H new ATOM 0 HD23 LEU A 18 2.189 -15.544 1.457 1.00 60.12 H new ATOM 271 N THR A 19 2.128 -13.613 -3.228 1.00 15.41 N ATOM 272 CA THR A 19 0.984 -13.618 -4.122 1.00 52.24 C ATOM 273 C THR A 19 -0.235 -14.229 -3.416 1.00 73.40 C ATOM 274 O THR A 19 -0.106 -14.880 -2.375 1.00 64.13 O ATOM 275 CB THR A 19 1.329 -14.355 -5.434 1.00 34.33 C ATOM 276 OG1 THR A 19 1.424 -15.758 -5.257 1.00 23.13 O ATOM 277 CG2 THR A 19 2.650 -13.896 -6.059 1.00 32.23 C ATOM 0 H THR A 19 2.727 -14.433 -3.324 1.00 15.41 H new ATOM 0 HA THR A 19 0.728 -12.592 -4.388 1.00 52.24 H new ATOM 0 HB THR A 19 0.502 -14.105 -6.098 1.00 34.33 H new ATOM 0 HG1 THR A 19 1.642 -16.182 -6.113 1.00 23.13 H new ATOM 0 HG21 THR A 19 2.831 -14.454 -6.978 1.00 32.23 H new ATOM 0 HG22 THR A 19 2.594 -12.831 -6.286 1.00 32.23 H new ATOM 0 HG23 THR A 19 3.466 -14.075 -5.359 1.00 32.23 H new ATOM 285 N ARG A 20 -1.414 -14.137 -4.040 1.00 32.13 N ATOM 286 CA ARG A 20 -2.636 -14.858 -3.651 1.00 44.12 C ATOM 287 C ARG A 20 -2.417 -16.358 -3.429 1.00 4.11 C ATOM 288 O ARG A 20 -3.147 -16.988 -2.665 1.00 73.10 O ATOM 289 CB ARG A 20 -3.728 -14.626 -4.713 1.00 1.03 C ATOM 290 CG ARG A 20 -3.427 -15.189 -6.114 1.00 34.30 C ATOM 291 CD ARG A 20 -4.296 -14.532 -7.196 1.00 63.03 C ATOM 292 NE ARG A 20 -5.463 -15.333 -7.612 1.00 13.11 N ATOM 293 CZ ARG A 20 -6.015 -15.270 -8.835 1.00 41.11 C ATOM 294 NH1 ARG A 20 -5.728 -14.258 -9.650 1.00 4.15 N ATOM 295 NH2 ARG A 20 -6.836 -16.228 -9.244 1.00 41.32 N ATOM 0 H ARG A 20 -1.551 -13.540 -4.856 1.00 32.13 H new ATOM 0 HA ARG A 20 -2.951 -14.455 -2.688 1.00 44.12 H new ATOM 0 HB2 ARG A 20 -4.657 -15.070 -4.355 1.00 1.03 H new ATOM 0 HB3 ARG A 20 -3.900 -13.553 -4.802 1.00 1.03 H new ATOM 0 HG2 ARG A 20 -2.374 -15.032 -6.349 1.00 34.30 H new ATOM 0 HG3 ARG A 20 -3.597 -16.266 -6.116 1.00 34.30 H new ATOM 0 HD2 ARG A 20 -4.646 -13.568 -6.828 1.00 63.03 H new ATOM 0 HD3 ARG A 20 -3.677 -14.334 -8.071 1.00 63.03 H new ATOM 0 HE ARG A 20 -5.875 -15.972 -6.931 1.00 13.11 H new ATOM 0 HH11 ARG A 20 -5.086 -13.525 -9.347 1.00 4.15 H new ATOM 0 HH12 ARG A 20 -6.150 -14.215 -10.578 1.00 4.15 H new ATOM 0 HH21 ARG A 20 -7.049 -17.014 -8.630 1.00 41.32 H new ATOM 0 HH22 ARG A 20 -7.254 -16.179 -10.173 1.00 41.32 H new ATOM 309 N ALA A 21 -1.425 -16.936 -4.112 1.00 31.15 N ATOM 310 CA ALA A 21 -1.093 -18.353 -4.056 1.00 65.41 C ATOM 311 C ALA A 21 -0.183 -18.711 -2.875 1.00 1.21 C ATOM 312 O ALA A 21 0.251 -19.861 -2.782 1.00 73.31 O ATOM 313 CB ALA A 21 -0.421 -18.763 -5.371 1.00 73.45 C ATOM 0 H ALA A 21 -0.815 -16.410 -4.737 1.00 31.15 H new ATOM 0 HA ALA A 21 -2.025 -18.900 -3.910 1.00 65.41 H new ATOM 0 HB1 ALA A 21 -0.170 -19.823 -5.336 1.00 73.45 H new ATOM 0 HB2 ALA A 21 -1.103 -18.579 -6.201 1.00 73.45 H new ATOM 0 HB3 ALA A 21 0.488 -18.179 -5.512 1.00 73.45 H new ATOM 319 N GLY A 22 0.176 -17.745 -2.025 1.00 54.32 N ATOM 320 CA GLY A 22 0.973 -17.983 -0.831 1.00 43.23 C ATOM 321 C GLY A 22 2.467 -18.177 -1.106 1.00 20.33 C ATOM 322 O GLY A 22 3.195 -18.625 -0.218 1.00 3.53 O ATOM 0 H GLY A 22 -0.084 -16.767 -2.153 1.00 54.32 H new ATOM 0 HA2 GLY A 22 0.846 -17.142 -0.149 1.00 43.23 H new ATOM 0 HA3 GLY A 22 0.590 -18.867 -0.322 1.00 43.23 H new ATOM 326 N LYS A 23 2.932 -17.888 -2.328 1.00 20.31 N ATOM 327 CA LYS A 23 4.323 -17.958 -2.754 1.00 61.24 C ATOM 328 C LYS A 23 4.904 -16.549 -2.830 1.00 14.11 C ATOM 329 O LYS A 23 4.155 -15.616 -3.130 1.00 33.33 O ATOM 330 CB LYS A 23 4.392 -18.607 -4.149 1.00 1.34 C ATOM 331 CG LYS A 23 4.601 -20.121 -4.054 1.00 41.34 C ATOM 332 CD LYS A 23 3.407 -20.976 -3.622 1.00 23.35 C ATOM 333 CE LYS A 23 2.395 -21.229 -4.744 1.00 40.14 C ATOM 334 NZ LYS A 23 1.289 -22.076 -4.255 1.00 64.13 N ATOM 0 H LYS A 23 2.312 -17.585 -3.079 1.00 20.31 H new ATOM 0 HA LYS A 23 4.894 -18.551 -2.039 1.00 61.24 H new ATOM 0 HB2 LYS A 23 3.471 -18.399 -4.694 1.00 1.34 H new ATOM 0 HB3 LYS A 23 5.207 -18.161 -4.719 1.00 1.34 H new ATOM 0 HG2 LYS A 23 4.933 -20.476 -5.030 1.00 41.34 H new ATOM 0 HG3 LYS A 23 5.416 -20.304 -3.354 1.00 41.34 H new ATOM 0 HD2 LYS A 23 3.772 -21.934 -3.251 1.00 23.35 H new ATOM 0 HD3 LYS A 23 2.900 -20.484 -2.791 1.00 23.35 H new ATOM 0 HE2 LYS A 23 2.002 -20.280 -5.109 1.00 40.14 H new ATOM 0 HE3 LYS A 23 2.889 -21.714 -5.586 1.00 40.14 H new ATOM 0 HZ1 LYS A 23 0.733 -22.421 -5.063 1.00 64.13 H new ATOM 0 HZ2 LYS A 23 1.678 -22.886 -3.731 1.00 64.13 H new ATOM 0 HZ3 LYS A 23 0.677 -21.518 -3.626 1.00 64.13 H new ATOM 348 N PRO A 24 6.222 -16.374 -2.657 1.00 53.51 N ATOM 349 CA PRO A 24 6.847 -15.064 -2.720 1.00 22.32 C ATOM 350 C PRO A 24 7.005 -14.616 -4.171 1.00 2.53 C ATOM 351 O PRO A 24 7.447 -15.379 -5.039 1.00 64.24 O ATOM 352 CB PRO A 24 8.186 -15.230 -2.017 1.00 34.33 C ATOM 353 CG PRO A 24 8.551 -16.691 -2.265 1.00 30.55 C ATOM 354 CD PRO A 24 7.211 -17.408 -2.382 1.00 55.22 C ATOM 0 HA PRO A 24 6.249 -14.289 -2.240 1.00 22.32 H new ATOM 0 HB2 PRO A 24 8.938 -14.555 -2.426 1.00 34.33 H new ATOM 0 HB3 PRO A 24 8.108 -15.013 -0.952 1.00 34.33 H new ATOM 0 HG2 PRO A 24 9.141 -16.803 -3.174 1.00 30.55 H new ATOM 0 HG3 PRO A 24 9.147 -17.095 -1.447 1.00 30.55 H new ATOM 0 HD2 PRO A 24 7.234 -18.148 -3.182 1.00 55.22 H new ATOM 0 HD3 PRO A 24 6.972 -17.941 -1.461 1.00 55.22 H new ATOM 362 N PHE A 25 6.654 -13.365 -4.451 1.00 31.12 N ATOM 363 CA PHE A 25 6.808 -12.750 -5.763 1.00 54.11 C ATOM 364 C PHE A 25 8.296 -12.535 -6.060 1.00 13.13 C ATOM 365 O PHE A 25 9.085 -12.416 -5.120 1.00 43.23 O ATOM 366 CB PHE A 25 6.043 -11.429 -5.761 1.00 51.23 C ATOM 367 CG PHE A 25 6.089 -10.669 -7.072 1.00 10.54 C ATOM 368 CD1 PHE A 25 5.587 -11.262 -8.246 1.00 41.52 C ATOM 369 CD2 PHE A 25 6.630 -9.368 -7.119 1.00 64.11 C ATOM 370 CE1 PHE A 25 5.655 -10.567 -9.464 1.00 60.31 C ATOM 371 CE2 PHE A 25 6.670 -8.665 -8.335 1.00 12.23 C ATOM 372 CZ PHE A 25 6.188 -9.268 -9.508 1.00 21.11 C ATOM 0 H PHE A 25 6.246 -12.738 -3.757 1.00 31.12 H new ATOM 0 HA PHE A 25 6.406 -13.394 -6.545 1.00 54.11 H new ATOM 0 HB2 PHE A 25 5.002 -11.628 -5.508 1.00 51.23 H new ATOM 0 HB3 PHE A 25 6.446 -10.792 -4.973 1.00 51.23 H new ATOM 0 HD1 PHE A 25 5.151 -12.249 -8.210 1.00 41.52 H new ATOM 0 HD2 PHE A 25 7.014 -8.911 -6.219 1.00 64.11 H new ATOM 0 HE1 PHE A 25 5.296 -11.033 -10.370 1.00 60.31 H new ATOM 0 HE2 PHE A 25 7.071 -7.663 -8.367 1.00 12.23 H new ATOM 0 HZ PHE A 25 6.227 -8.732 -10.445 1.00 21.11 H new ATOM 382 N ARG A 26 8.692 -12.469 -7.340 1.00 53.21 N ATOM 383 CA ARG A 26 10.013 -12.041 -7.745 1.00 62.44 C ATOM 384 C ARG A 26 9.874 -10.827 -8.679 1.00 40.31 C ATOM 385 O ARG A 26 8.929 -10.769 -9.466 1.00 54.04 O ATOM 386 CB ARG A 26 10.802 -13.166 -8.428 1.00 22.10 C ATOM 387 CG ARG A 26 11.528 -14.089 -7.429 1.00 50.42 C ATOM 388 CD ARG A 26 13.049 -13.922 -7.519 1.00 70.11 C ATOM 389 NE ARG A 26 13.671 -15.024 -8.279 1.00 12.41 N ATOM 390 CZ ARG A 26 14.881 -15.071 -8.854 1.00 31.31 C ATOM 391 NH1 ARG A 26 15.698 -14.020 -8.889 1.00 73.20 N ATOM 392 NH2 ARG A 26 15.265 -16.224 -9.389 1.00 55.43 N ATOM 0 H ARG A 26 8.087 -12.717 -8.122 1.00 53.21 H new ATOM 0 HA ARG A 26 10.577 -11.765 -6.854 1.00 62.44 H new ATOM 0 HB2 ARG A 26 10.121 -13.762 -9.035 1.00 22.10 H new ATOM 0 HB3 ARG A 26 11.534 -12.728 -9.107 1.00 22.10 H new ATOM 0 HG2 ARG A 26 11.195 -13.865 -6.416 1.00 50.42 H new ATOM 0 HG3 ARG A 26 11.262 -15.127 -7.630 1.00 50.42 H new ATOM 0 HD2 ARG A 26 13.284 -12.971 -7.997 1.00 70.11 H new ATOM 0 HD3 ARG A 26 13.472 -13.887 -6.515 1.00 70.11 H new ATOM 0 HE ARG A 26 13.102 -15.865 -8.381 1.00 12.41 H new ATOM 0 HH11 ARG A 26 15.411 -13.137 -8.468 1.00 73.20 H new ATOM 0 HH12 ARG A 26 16.611 -14.098 -9.337 1.00 73.20 H new ATOM 0 HH21 ARG A 26 14.646 -17.034 -9.353 1.00 55.43 H new ATOM 0 HH22 ARG A 26 16.179 -16.300 -9.836 1.00 55.43 H new ATOM 406 N PRO A 27 10.845 -9.907 -8.651 1.00 0.14 N ATOM 407 CA PRO A 27 12.007 -10.021 -7.798 1.00 63.51 C ATOM 408 C PRO A 27 11.624 -9.727 -6.354 1.00 40.14 C ATOM 409 O PRO A 27 10.828 -8.833 -6.097 1.00 22.34 O ATOM 410 CB PRO A 27 12.984 -8.965 -8.293 1.00 70.54 C ATOM 411 CG PRO A 27 12.085 -7.893 -8.911 1.00 52.03 C ATOM 412 CD PRO A 27 10.908 -8.705 -9.462 1.00 23.10 C ATOM 0 HA PRO A 27 12.435 -11.023 -7.832 1.00 63.51 H new ATOM 0 HB2 PRO A 27 13.584 -8.562 -7.477 1.00 70.54 H new ATOM 0 HB3 PRO A 27 13.678 -9.375 -9.026 1.00 70.54 H new ATOM 0 HG2 PRO A 27 11.760 -7.163 -8.170 1.00 52.03 H new ATOM 0 HG3 PRO A 27 12.598 -7.341 -9.698 1.00 52.03 H new ATOM 0 HD2 PRO A 27 9.978 -8.140 -9.397 1.00 23.10 H new ATOM 0 HD3 PRO A 27 11.059 -8.950 -10.513 1.00 23.10 H new ATOM 420 N SER A 28 12.216 -10.446 -5.405 1.00 55.04 N ATOM 421 CA SER A 28 12.068 -10.172 -3.979 1.00 22.44 C ATOM 422 C SER A 28 12.524 -8.750 -3.609 1.00 3.13 C ATOM 423 O SER A 28 12.101 -8.180 -2.598 1.00 30.11 O ATOM 424 CB SER A 28 12.920 -11.215 -3.269 1.00 43.40 C ATOM 425 OG SER A 28 12.448 -12.509 -3.595 1.00 11.02 O ATOM 0 H SER A 28 12.819 -11.244 -5.606 1.00 55.04 H new ATOM 0 HA SER A 28 11.020 -10.228 -3.683 1.00 22.44 H new ATOM 0 HB2 SER A 28 13.964 -11.111 -3.566 1.00 43.40 H new ATOM 0 HB3 SER A 28 12.878 -11.062 -2.191 1.00 43.40 H new ATOM 0 HG SER A 28 12.997 -13.182 -3.140 1.00 11.02 H new ATOM 431 N ASP A 29 13.351 -8.178 -4.483 1.00 43.15 N ATOM 432 CA ASP A 29 13.997 -6.878 -4.429 1.00 33.43 C ATOM 433 C ASP A 29 13.115 -5.775 -5.037 1.00 14.23 C ATOM 434 O ASP A 29 13.562 -4.632 -5.167 1.00 12.13 O ATOM 435 CB ASP A 29 15.352 -6.998 -5.147 1.00 75.42 C ATOM 436 CG ASP A 29 16.223 -8.129 -4.590 1.00 32.40 C ATOM 437 OD1 ASP A 29 16.250 -8.328 -3.349 1.00 61.44 O ATOM 438 OD2 ASP A 29 16.726 -8.940 -5.393 1.00 42.54 O ATOM 0 H ASP A 29 13.609 -8.673 -5.337 1.00 43.15 H new ATOM 0 HA ASP A 29 14.155 -6.583 -3.392 1.00 33.43 H new ATOM 0 HB2 ASP A 29 15.181 -7.168 -6.210 1.00 75.42 H new ATOM 0 HB3 ASP A 29 15.890 -6.054 -5.058 1.00 75.42 H new ATOM 443 N TRP A 30 11.847 -6.092 -5.370 1.00 23.30 N ATOM 444 CA TRP A 30 10.843 -5.138 -5.869 1.00 22.22 C ATOM 445 C TRP A 30 10.703 -3.923 -4.945 1.00 64.21 C ATOM 446 O TRP A 30 10.345 -2.828 -5.373 1.00 44.35 O ATOM 447 CB TRP A 30 9.470 -5.834 -6.050 1.00 61.04 C ATOM 448 CG TRP A 30 8.690 -6.259 -4.819 1.00 43.13 C ATOM 449 CD1 TRP A 30 8.682 -7.480 -4.231 1.00 52.12 C ATOM 450 CD2 TRP A 30 7.729 -5.470 -4.045 1.00 23.21 C ATOM 451 NE1 TRP A 30 7.851 -7.471 -3.131 1.00 53.23 N ATOM 452 CE2 TRP A 30 7.158 -6.293 -3.024 1.00 0.04 C ATOM 453 CE3 TRP A 30 7.281 -4.138 -4.108 1.00 63.11 C ATOM 454 CZ2 TRP A 30 6.163 -5.844 -2.134 1.00 43.22 C ATOM 455 CZ3 TRP A 30 6.303 -3.670 -3.214 1.00 11.01 C ATOM 456 CH2 TRP A 30 5.739 -4.515 -2.242 1.00 41.14 C ATOM 0 H TRP A 30 11.487 -7.043 -5.296 1.00 23.30 H new ATOM 0 HA TRP A 30 11.190 -4.780 -6.838 1.00 22.22 H new ATOM 0 HB2 TRP A 30 8.834 -5.162 -6.626 1.00 61.04 H new ATOM 0 HB3 TRP A 30 9.630 -6.723 -6.661 1.00 61.04 H new ATOM 0 HD1 TRP A 30 9.245 -8.336 -4.574 1.00 52.12 H new ATOM 0 HE1 TRP A 30 7.762 -8.247 -2.476 1.00 53.23 H new ATOM 0 HE3 TRP A 30 7.692 -3.469 -4.850 1.00 63.11 H new ATOM 0 HZ2 TRP A 30 5.741 -6.505 -1.391 1.00 43.22 H new ATOM 0 HZ3 TRP A 30 5.978 -2.642 -3.275 1.00 11.01 H new ATOM 0 HH2 TRP A 30 4.976 -4.137 -1.577 1.00 41.14 H new ATOM 467 N VAL A 31 10.998 -4.156 -3.669 1.00 72.14 N ATOM 468 CA VAL A 31 10.915 -3.262 -2.538 1.00 24.20 C ATOM 469 C VAL A 31 11.664 -1.962 -2.825 1.00 0.41 C ATOM 470 O VAL A 31 11.055 -0.894 -2.835 1.00 45.44 O ATOM 471 CB VAL A 31 11.405 -4.044 -1.295 1.00 33.20 C ATOM 472 CG1 VAL A 31 11.434 -3.204 -0.010 1.00 32.31 C ATOM 473 CG2 VAL A 31 10.489 -5.265 -1.102 1.00 11.02 C ATOM 0 H VAL A 31 11.336 -5.075 -3.382 1.00 72.14 H new ATOM 0 HA VAL A 31 9.893 -2.939 -2.339 1.00 24.20 H new ATOM 0 HB VAL A 31 12.437 -4.343 -1.479 1.00 33.20 H new ATOM 0 HG11 VAL A 31 11.787 -3.818 0.818 1.00 32.31 H new ATOM 0 HG12 VAL A 31 12.105 -2.356 -0.145 1.00 32.31 H new ATOM 0 HG13 VAL A 31 10.430 -2.841 0.210 1.00 32.31 H new ATOM 0 HG21 VAL A 31 10.817 -5.831 -0.230 1.00 11.02 H new ATOM 0 HG22 VAL A 31 9.463 -4.930 -0.952 1.00 11.02 H new ATOM 0 HG23 VAL A 31 10.538 -5.900 -1.987 1.00 11.02 H new ATOM 483 N ASP A 32 12.965 -2.027 -3.098 1.00 71.22 N ATOM 484 CA ASP A 32 13.772 -0.806 -3.156 1.00 43.51 C ATOM 485 C ASP A 32 13.617 -0.111 -4.507 1.00 75.31 C ATOM 486 O ASP A 32 13.887 1.083 -4.627 1.00 42.32 O ATOM 487 CB ASP A 32 15.246 -1.117 -2.869 1.00 73.21 C ATOM 488 CG ASP A 32 15.768 -0.359 -1.654 1.00 1.30 C ATOM 489 OD1 ASP A 32 15.520 -0.838 -0.521 1.00 42.43 O ATOM 490 OD2 ASP A 32 16.482 0.656 -1.798 1.00 73.01 O ATOM 0 H ASP A 32 13.476 -2.891 -3.279 1.00 71.22 H new ATOM 0 HA ASP A 32 13.410 -0.125 -2.385 1.00 43.51 H new ATOM 0 HB2 ASP A 32 15.364 -2.188 -2.705 1.00 73.21 H new ATOM 0 HB3 ASP A 32 15.847 -0.859 -3.741 1.00 73.21 H new ATOM 495 N ARG A 33 13.120 -0.830 -5.525 1.00 23.14 N ATOM 496 CA ARG A 33 12.735 -0.196 -6.780 1.00 73.53 C ATOM 497 C ARG A 33 11.611 0.800 -6.528 1.00 53.54 C ATOM 498 O ARG A 33 11.611 1.860 -7.154 1.00 33.45 O ATOM 499 CB ARG A 33 12.313 -1.216 -7.847 1.00 70.42 C ATOM 500 CG ARG A 33 13.383 -2.265 -8.175 1.00 50.43 C ATOM 501 CD ARG A 33 13.042 -3.076 -9.433 1.00 22.14 C ATOM 502 NE ARG A 33 13.322 -2.323 -10.676 1.00 25.25 N ATOM 503 CZ ARG A 33 12.562 -2.251 -11.776 1.00 44.44 C ATOM 504 NH1 ARG A 33 11.288 -2.631 -11.744 1.00 43.21 N ATOM 505 NH2 ARG A 33 13.101 -1.844 -12.922 1.00 64.13 N ATOM 0 H ARG A 33 12.979 -1.840 -5.498 1.00 23.14 H new ATOM 0 HA ARG A 33 13.611 0.325 -7.167 1.00 73.53 H new ATOM 0 HB2 ARG A 33 11.412 -1.727 -7.508 1.00 70.42 H new ATOM 0 HB3 ARG A 33 12.052 -0.682 -8.761 1.00 70.42 H new ATOM 0 HG2 ARG A 33 14.343 -1.769 -8.315 1.00 50.43 H new ATOM 0 HG3 ARG A 33 13.495 -2.943 -7.329 1.00 50.43 H new ATOM 0 HD2 ARG A 33 13.617 -4.002 -9.434 1.00 22.14 H new ATOM 0 HD3 ARG A 33 11.989 -3.355 -9.409 1.00 22.14 H new ATOM 0 HE ARG A 33 14.196 -1.798 -10.697 1.00 25.25 H new ATOM 0 HH11 ARG A 33 10.882 -2.981 -10.876 1.00 43.21 H new ATOM 0 HH12 ARG A 33 10.717 -2.572 -12.587 1.00 43.21 H new ATOM 0 HH21 ARG A 33 14.088 -1.589 -12.959 1.00 64.13 H new ATOM 0 HH22 ARG A 33 12.527 -1.787 -13.764 1.00 64.13 H new ATOM 519 N MET A 34 10.661 0.505 -5.631 1.00 33.00 N ATOM 520 CA MET A 34 9.591 1.449 -5.332 1.00 73.32 C ATOM 521 C MET A 34 10.182 2.737 -4.783 1.00 72.04 C ATOM 522 O MET A 34 9.822 3.810 -5.266 1.00 24.15 O ATOM 523 CB MET A 34 8.579 0.898 -4.316 1.00 54.03 C ATOM 524 CG MET A 34 7.762 -0.279 -4.845 1.00 0.12 C ATOM 525 SD MET A 34 6.821 0.092 -6.335 1.00 41.21 S ATOM 526 CE MET A 34 5.178 -0.100 -5.626 1.00 22.43 C ATOM 0 H MET A 34 10.616 -0.370 -5.109 1.00 33.00 H new ATOM 0 HA MET A 34 9.060 1.630 -6.267 1.00 73.32 H new ATOM 0 HB2 MET A 34 9.112 0.585 -3.418 1.00 54.03 H new ATOM 0 HB3 MET A 34 7.900 1.698 -4.022 1.00 54.03 H new ATOM 0 HG2 MET A 34 8.435 -1.112 -5.051 1.00 0.12 H new ATOM 0 HG3 MET A 34 7.074 -0.610 -4.067 1.00 0.12 H new ATOM 0 HE1 MET A 34 4.437 0.323 -6.304 1.00 22.43 H new ATOM 0 HE2 MET A 34 4.969 -1.159 -5.475 1.00 22.43 H new ATOM 0 HE3 MET A 34 5.132 0.419 -4.669 1.00 22.43 H new ATOM 536 N CYS A 35 11.061 2.662 -3.773 1.00 40.32 N ATOM 537 CA CYS A 35 11.525 3.886 -3.136 1.00 14.23 C ATOM 538 C CYS A 35 12.312 4.763 -4.108 1.00 51.22 C ATOM 539 O CYS A 35 12.120 5.974 -4.078 1.00 1.23 O ATOM 540 CB CYS A 35 12.243 3.636 -1.803 1.00 24.21 C ATOM 541 SG CYS A 35 13.722 2.602 -1.907 1.00 24.23 S ATOM 0 H CYS A 35 11.449 1.797 -3.396 1.00 40.32 H new ATOM 0 HA CYS A 35 10.639 4.459 -2.862 1.00 14.23 H new ATOM 0 HB2 CYS A 35 12.521 4.598 -1.373 1.00 24.21 H new ATOM 0 HB3 CYS A 35 11.541 3.169 -1.112 1.00 24.21 H new ATOM 0 HG CYS A 35 13.744 1.991 -3.054 1.00 24.23 H new ATOM 547 N SER A 36 13.124 4.188 -5.001 1.00 52.35 N ATOM 548 CA SER A 36 13.790 4.961 -6.046 1.00 74.52 C ATOM 549 C SER A 36 12.793 5.557 -7.055 1.00 11.12 C ATOM 550 O SER A 36 12.942 6.712 -7.455 1.00 72.52 O ATOM 551 CB SER A 36 14.812 4.095 -6.770 1.00 74.14 C ATOM 552 OG SER A 36 15.657 3.394 -5.878 1.00 11.01 O ATOM 0 H SER A 36 13.334 3.190 -5.018 1.00 52.35 H new ATOM 0 HA SER A 36 14.297 5.794 -5.559 1.00 74.52 H new ATOM 0 HB2 SER A 36 14.291 3.381 -7.409 1.00 74.14 H new ATOM 0 HB3 SER A 36 15.419 4.723 -7.422 1.00 74.14 H new ATOM 0 HG SER A 36 15.181 2.616 -5.519 1.00 11.01 H new ATOM 558 N THR A 37 11.783 4.795 -7.483 1.00 72.43 N ATOM 559 CA THR A 37 10.800 5.246 -8.473 1.00 74.41 C ATOM 560 C THR A 37 9.909 6.360 -7.901 1.00 45.53 C ATOM 561 O THR A 37 9.412 7.200 -8.650 1.00 65.35 O ATOM 562 CB THR A 37 9.987 4.034 -8.971 1.00 55.31 C ATOM 563 OG1 THR A 37 10.876 3.022 -9.392 1.00 0.10 O ATOM 564 CG2 THR A 37 9.102 4.353 -10.176 1.00 25.32 C ATOM 0 H THR A 37 11.623 3.844 -7.151 1.00 72.43 H new ATOM 0 HA THR A 37 11.316 5.682 -9.329 1.00 74.41 H new ATOM 0 HB THR A 37 9.355 3.731 -8.136 1.00 55.31 H new ATOM 0 HG1 THR A 37 10.945 2.336 -8.695 1.00 0.10 H new ATOM 0 HG21 THR A 37 8.558 3.457 -10.475 1.00 25.32 H new ATOM 0 HG22 THR A 37 8.393 5.136 -9.909 1.00 25.32 H new ATOM 0 HG23 THR A 37 9.724 4.693 -11.004 1.00 25.32 H new ATOM 572 N TYR A 38 9.753 6.403 -6.576 1.00 41.31 N ATOM 573 CA TYR A 38 8.990 7.393 -5.826 1.00 42.14 C ATOM 574 C TYR A 38 9.965 8.229 -4.984 1.00 33.41 C ATOM 575 O TYR A 38 9.736 8.499 -3.798 1.00 34.45 O ATOM 576 CB TYR A 38 7.929 6.675 -4.980 1.00 13.00 C ATOM 577 CG TYR A 38 6.685 6.182 -5.707 1.00 71.20 C ATOM 578 CD1 TYR A 38 6.772 5.206 -6.719 1.00 52.33 C ATOM 579 CD2 TYR A 38 5.416 6.657 -5.318 1.00 54.41 C ATOM 580 CE1 TYR A 38 5.620 4.780 -7.399 1.00 40.50 C ATOM 581 CE2 TYR A 38 4.255 6.204 -5.965 1.00 55.24 C ATOM 582 CZ TYR A 38 4.357 5.294 -7.038 1.00 12.11 C ATOM 583 OH TYR A 38 3.241 4.832 -7.662 1.00 2.12 O ATOM 0 H TYR A 38 10.182 5.706 -5.967 1.00 41.31 H new ATOM 0 HA TYR A 38 8.460 8.076 -6.489 1.00 42.14 H new ATOM 0 HB2 TYR A 38 8.402 5.819 -4.498 1.00 13.00 H new ATOM 0 HB3 TYR A 38 7.612 7.352 -4.187 1.00 13.00 H new ATOM 0 HD1 TYR A 38 7.732 4.782 -6.974 1.00 52.33 H new ATOM 0 HD2 TYR A 38 5.336 7.375 -4.516 1.00 54.41 H new ATOM 0 HE1 TYR A 38 5.701 4.059 -8.199 1.00 40.50 H new ATOM 0 HE2 TYR A 38 3.285 6.552 -5.641 1.00 55.24 H new ATOM 0 HH TYR A 38 2.470 4.924 -7.064 1.00 2.12 H new ATOM 593 N ALA A 39 11.091 8.612 -5.579 1.00 42.31 N ATOM 594 CA ALA A 39 12.069 9.518 -5.003 1.00 23.21 C ATOM 595 C ALA A 39 12.260 10.702 -5.933 1.00 64.44 C ATOM 596 O ALA A 39 11.825 10.685 -7.089 1.00 0.33 O ATOM 597 CB ALA A 39 13.404 8.799 -4.807 1.00 44.42 C ATOM 0 H ALA A 39 11.353 8.286 -6.509 1.00 42.31 H new ATOM 0 HA ALA A 39 11.711 9.863 -4.033 1.00 23.21 H new ATOM 0 HB1 ALA A 39 14.129 9.489 -4.375 1.00 44.42 H new ATOM 0 HB2 ALA A 39 13.265 7.951 -4.136 1.00 44.42 H new ATOM 0 HB3 ALA A 39 13.771 8.444 -5.770 1.00 44.42 H new ATOM 603 N SER A 40 12.988 11.697 -5.439 1.00 41.43 N ATOM 604 CA SER A 40 13.489 12.788 -6.254 1.00 50.03 C ATOM 605 C SER A 40 14.960 12.992 -5.930 1.00 74.34 C ATOM 606 O SER A 40 15.420 12.651 -4.836 1.00 71.44 O ATOM 607 CB SER A 40 12.659 14.053 -6.007 1.00 54.23 C ATOM 608 OG SER A 40 11.276 13.757 -6.121 1.00 34.24 O ATOM 0 H SER A 40 13.247 11.766 -4.455 1.00 41.43 H new ATOM 0 HA SER A 40 13.397 12.553 -7.314 1.00 50.03 H new ATOM 0 HB2 SER A 40 12.873 14.450 -5.015 1.00 54.23 H new ATOM 0 HB3 SER A 40 12.934 14.825 -6.726 1.00 54.23 H new ATOM 0 HG SER A 40 10.753 14.570 -5.960 1.00 34.24 H new ATOM 614 N PHE A 41 15.707 13.542 -6.879 1.00 23.32 N ATOM 615 CA PHE A 41 16.969 14.193 -6.595 1.00 31.12 C ATOM 616 C PHE A 41 16.673 15.487 -5.838 1.00 33.11 C ATOM 617 O PHE A 41 15.730 16.209 -6.170 1.00 73.42 O ATOM 618 CB PHE A 41 17.703 14.458 -7.917 1.00 11.15 C ATOM 619 CG PHE A 41 18.509 13.297 -8.490 1.00 15.52 C ATOM 620 CD1 PHE A 41 18.338 11.975 -8.033 1.00 20.03 C ATOM 621 CD2 PHE A 41 19.440 13.542 -9.516 1.00 55.10 C ATOM 622 CE1 PHE A 41 19.087 10.920 -8.576 1.00 25.00 C ATOM 623 CE2 PHE A 41 20.190 12.488 -10.066 1.00 33.02 C ATOM 624 CZ PHE A 41 20.011 11.177 -9.598 1.00 23.43 C ATOM 0 H PHE A 41 15.450 13.547 -7.866 1.00 23.32 H new ATOM 0 HA PHE A 41 17.614 13.567 -5.978 1.00 31.12 H new ATOM 0 HB2 PHE A 41 16.967 14.763 -8.661 1.00 11.15 H new ATOM 0 HB3 PHE A 41 18.377 15.302 -7.770 1.00 11.15 H new ATOM 0 HD1 PHE A 41 17.620 11.771 -7.253 1.00 20.03 H new ATOM 0 HD2 PHE A 41 19.580 14.548 -9.884 1.00 55.10 H new ATOM 0 HE1 PHE A 41 18.952 9.914 -8.208 1.00 25.00 H new ATOM 0 HE2 PHE A 41 20.905 12.687 -10.850 1.00 33.02 H new ATOM 0 HZ PHE A 41 20.584 10.367 -10.025 1.00 23.43 H new ATOM 634 N GLY A 42 17.482 15.771 -4.822 1.00 10.22 N ATOM 635 CA GLY A 42 17.506 17.052 -4.142 1.00 70.12 C ATOM 636 C GLY A 42 18.216 18.096 -4.998 1.00 5.25 C ATOM 637 O GLY A 42 18.744 17.799 -6.079 1.00 22.54 O ATOM 0 H GLY A 42 18.151 15.100 -4.444 1.00 10.22 H new ATOM 0 HA2 GLY A 42 16.487 17.378 -3.931 1.00 70.12 H new ATOM 0 HA3 GLY A 42 18.014 16.952 -3.183 1.00 70.12 H new ATOM 641 N ALA A 43 18.294 19.320 -4.473 1.00 31.11 N ATOM 642 CA ALA A 43 19.032 20.420 -5.074 1.00 42.43 C ATOM 643 C ALA A 43 20.480 20.037 -5.390 1.00 41.41 C ATOM 644 O ALA A 43 21.006 20.449 -6.422 1.00 64.14 O ATOM 645 CB ALA A 43 18.968 21.643 -4.157 1.00 40.01 C ATOM 0 H ALA A 43 17.834 19.574 -3.599 1.00 31.11 H new ATOM 0 HA ALA A 43 18.563 20.665 -6.027 1.00 42.43 H new ATOM 0 HB1 ALA A 43 19.522 22.466 -4.609 1.00 40.01 H new ATOM 0 HB2 ALA A 43 17.928 21.939 -4.017 1.00 40.01 H new ATOM 0 HB3 ALA A 43 19.409 21.397 -3.191 1.00 40.01 H new ATOM 651 N ASP A 44 21.092 19.192 -4.562 1.00 4.44 N ATOM 652 CA ASP A 44 22.466 18.713 -4.730 1.00 25.32 C ATOM 653 C ASP A 44 22.577 17.546 -5.727 1.00 31.31 C ATOM 654 O ASP A 44 23.629 16.925 -5.860 1.00 31.33 O ATOM 655 CB ASP A 44 23.019 18.310 -3.357 1.00 23.15 C ATOM 656 CG ASP A 44 24.546 18.253 -3.317 1.00 12.14 C ATOM 657 OD1 ASP A 44 25.187 19.218 -3.795 1.00 63.24 O ATOM 658 OD2 ASP A 44 25.085 17.330 -2.666 1.00 62.12 O ATOM 0 H ASP A 44 20.635 18.811 -3.734 1.00 4.44 H new ATOM 0 HA ASP A 44 23.057 19.525 -5.153 1.00 25.32 H new ATOM 0 HB2 ASP A 44 22.668 19.020 -2.608 1.00 23.15 H new ATOM 0 HB3 ASP A 44 22.618 17.334 -3.083 1.00 23.15 H new ATOM 663 N ARG A 45 21.485 17.203 -6.424 1.00 73.41 N ATOM 664 CA ARG A 45 21.364 16.119 -7.410 1.00 72.10 C ATOM 665 C ARG A 45 21.655 14.731 -6.812 1.00 51.32 C ATOM 666 O ARG A 45 21.927 13.774 -7.536 1.00 3.21 O ATOM 667 CB ARG A 45 22.156 16.449 -8.701 1.00 62.22 C ATOM 668 CG ARG A 45 21.464 17.462 -9.637 1.00 75.30 C ATOM 669 CD ARG A 45 21.220 18.844 -9.019 1.00 61.13 C ATOM 670 NE ARG A 45 20.790 19.825 -10.027 1.00 34.33 N ATOM 671 CZ ARG A 45 19.659 20.543 -10.052 1.00 70.13 C ATOM 672 NH1 ARG A 45 18.748 20.424 -9.087 1.00 71.44 N ATOM 673 NH2 ARG A 45 19.449 21.372 -11.066 1.00 2.24 N ATOM 0 H ARG A 45 20.606 17.707 -6.307 1.00 73.41 H new ATOM 0 HA ARG A 45 20.319 16.054 -7.712 1.00 72.10 H new ATOM 0 HB2 ARG A 45 23.134 16.841 -8.422 1.00 62.22 H new ATOM 0 HB3 ARG A 45 22.329 15.525 -9.252 1.00 62.22 H new ATOM 0 HG2 ARG A 45 22.073 17.582 -10.533 1.00 75.30 H new ATOM 0 HG3 ARG A 45 20.507 17.047 -9.955 1.00 75.30 H new ATOM 0 HD2 ARG A 45 20.460 18.765 -8.241 1.00 61.13 H new ATOM 0 HD3 ARG A 45 22.134 19.194 -8.538 1.00 61.13 H new ATOM 0 HE ARG A 45 21.433 19.978 -10.804 1.00 34.33 H new ATOM 0 HH11 ARG A 45 18.906 19.778 -8.313 1.00 71.44 H new ATOM 0 HH12 ARG A 45 17.893 20.978 -9.122 1.00 71.44 H new ATOM 0 HH21 ARG A 45 20.143 21.455 -11.809 1.00 2.24 H new ATOM 0 HH22 ARG A 45 18.594 21.927 -11.102 1.00 2.24 H new ATOM 687 N LYS A 46 21.569 14.580 -5.489 1.00 44.13 N ATOM 688 CA LYS A 46 21.612 13.286 -4.817 1.00 43.04 C ATOM 689 C LYS A 46 20.169 12.821 -4.592 1.00 64.12 C ATOM 690 O LYS A 46 19.321 13.649 -4.261 1.00 44.12 O ATOM 691 CB LYS A 46 22.411 13.438 -3.510 1.00 62.15 C ATOM 692 CG LYS A 46 22.948 12.095 -2.989 1.00 52.31 C ATOM 693 CD LYS A 46 24.102 11.504 -3.820 1.00 24.40 C ATOM 694 CE LYS A 46 25.402 12.319 -3.712 1.00 62.44 C ATOM 695 NZ LYS A 46 25.789 12.992 -4.972 1.00 51.55 N ATOM 0 H LYS A 46 21.466 15.366 -4.848 1.00 44.13 H new ATOM 0 HA LYS A 46 22.116 12.525 -5.413 1.00 43.04 H new ATOM 0 HB2 LYS A 46 23.245 14.120 -3.675 1.00 62.15 H new ATOM 0 HB3 LYS A 46 21.775 13.891 -2.750 1.00 62.15 H new ATOM 0 HG2 LYS A 46 23.287 12.228 -1.962 1.00 52.31 H new ATOM 0 HG3 LYS A 46 22.129 11.376 -2.964 1.00 52.31 H new ATOM 0 HD2 LYS A 46 24.292 10.482 -3.491 1.00 24.40 H new ATOM 0 HD3 LYS A 46 23.799 11.451 -4.866 1.00 24.40 H new ATOM 0 HE2 LYS A 46 25.286 13.070 -2.930 1.00 62.44 H new ATOM 0 HE3 LYS A 46 26.210 11.657 -3.401 1.00 62.44 H new ATOM 0 HZ1 LYS A 46 26.672 13.521 -4.826 1.00 51.55 H new ATOM 0 HZ2 LYS A 46 25.931 12.280 -5.716 1.00 51.55 H new ATOM 0 HZ3 LYS A 46 25.036 13.648 -5.261 1.00 51.55 H new ATOM 709 N LEU A 47 19.871 11.534 -4.786 1.00 12.32 N ATOM 710 CA LEU A 47 18.555 10.925 -4.622 1.00 13.12 C ATOM 711 C LEU A 47 18.103 10.969 -3.156 1.00 31.01 C ATOM 712 O LEU A 47 18.929 10.899 -2.244 1.00 13.13 O ATOM 713 CB LEU A 47 18.710 9.482 -5.141 1.00 63.44 C ATOM 714 CG LEU A 47 17.522 8.627 -5.539 1.00 41.10 C ATOM 715 CD1 LEU A 47 16.762 8.050 -4.362 1.00 1.53 C ATOM 716 CD2 LEU A 47 16.544 9.353 -6.427 1.00 12.50 C ATOM 0 H LEU A 47 20.578 10.858 -5.076 1.00 12.32 H new ATOM 0 HA LEU A 47 17.782 11.460 -5.174 1.00 13.12 H new ATOM 0 HB2 LEU A 47 19.364 9.532 -6.012 1.00 63.44 H new ATOM 0 HB3 LEU A 47 19.248 8.930 -4.370 1.00 63.44 H new ATOM 0 HG LEU A 47 17.975 7.806 -6.095 1.00 41.10 H new ATOM 0 HD11 LEU A 47 15.927 7.451 -4.726 1.00 1.53 H new ATOM 0 HD12 LEU A 47 17.429 7.422 -3.771 1.00 1.53 H new ATOM 0 HD13 LEU A 47 16.383 8.861 -3.741 1.00 1.53 H new ATOM 0 HD21 LEU A 47 15.717 8.689 -6.677 1.00 12.50 H new ATOM 0 HD22 LEU A 47 16.160 10.230 -5.905 1.00 12.50 H new ATOM 0 HD23 LEU A 47 17.047 9.667 -7.342 1.00 12.50 H new ATOM 728 N ARG A 48 16.794 11.088 -2.918 1.00 15.03 N ATOM 729 CA ARG A 48 16.149 11.035 -1.606 1.00 54.42 C ATOM 730 C ARG A 48 14.876 10.213 -1.700 1.00 70.23 C ATOM 731 O ARG A 48 13.895 10.684 -2.284 1.00 70.34 O ATOM 732 CB ARG A 48 15.773 12.446 -1.112 1.00 12.01 C ATOM 733 CG ARG A 48 16.901 13.223 -0.433 1.00 43.14 C ATOM 734 CD ARG A 48 17.774 13.976 -1.438 1.00 61.11 C ATOM 735 NE ARG A 48 18.889 14.650 -0.767 1.00 10.52 N ATOM 736 CZ ARG A 48 20.023 14.080 -0.342 1.00 11.10 C ATOM 737 NH1 ARG A 48 20.282 12.792 -0.574 1.00 5.32 N ATOM 738 NH2 ARG A 48 20.894 14.828 0.321 1.00 0.02 N ATOM 0 H ARG A 48 16.123 11.231 -3.673 1.00 15.03 H new ATOM 0 HA ARG A 48 16.853 10.585 -0.906 1.00 54.42 H new ATOM 0 HB2 ARG A 48 15.414 13.027 -1.962 1.00 12.01 H new ATOM 0 HB3 ARG A 48 14.942 12.358 -0.412 1.00 12.01 H new ATOM 0 HG2 ARG A 48 16.475 13.932 0.277 1.00 43.14 H new ATOM 0 HG3 ARG A 48 17.522 12.533 0.139 1.00 43.14 H new ATOM 0 HD2 ARG A 48 18.161 13.280 -2.182 1.00 61.11 H new ATOM 0 HD3 ARG A 48 17.170 14.710 -1.972 1.00 61.11 H new ATOM 0 HE ARG A 48 18.791 15.653 -0.608 1.00 10.52 H new ATOM 0 HH11 ARG A 48 19.609 12.220 -1.085 1.00 5.32 H new ATOM 0 HH12 ARG A 48 21.153 12.379 -0.241 1.00 5.32 H new ATOM 0 HH21 ARG A 48 20.692 15.812 0.496 1.00 0.02 H new ATOM 0 HH22 ARG A 48 21.766 14.419 0.656 1.00 0.02 H new ATOM 752 N TYR A 49 14.868 9.020 -1.104 1.00 52.15 N ATOM 753 CA TYR A 49 13.639 8.255 -0.915 1.00 40.14 C ATOM 754 C TYR A 49 12.643 9.080 -0.101 1.00 2.32 C ATOM 755 O TYR A 49 13.043 9.860 0.769 1.00 43.22 O ATOM 756 CB TYR A 49 13.944 6.933 -0.201 1.00 54.31 C ATOM 757 CG TYR A 49 15.027 6.065 -0.823 1.00 54.35 C ATOM 758 CD1 TYR A 49 15.201 5.990 -2.220 1.00 54.43 C ATOM 759 CD2 TYR A 49 15.887 5.338 0.018 1.00 41.45 C ATOM 760 CE1 TYR A 49 16.238 5.217 -2.773 1.00 70.23 C ATOM 761 CE2 TYR A 49 16.921 4.559 -0.527 1.00 71.51 C ATOM 762 CZ TYR A 49 17.107 4.497 -1.925 1.00 10.30 C ATOM 763 OH TYR A 49 18.160 3.808 -2.443 1.00 41.32 O ATOM 0 H TYR A 49 15.705 8.562 -0.743 1.00 52.15 H new ATOM 0 HA TYR A 49 13.203 8.029 -1.888 1.00 40.14 H new ATOM 0 HB2 TYR A 49 14.233 7.158 0.826 1.00 54.31 H new ATOM 0 HB3 TYR A 49 13.024 6.350 -0.153 1.00 54.31 H new ATOM 0 HD1 TYR A 49 14.532 6.531 -2.872 1.00 54.43 H new ATOM 0 HD2 TYR A 49 15.752 5.379 1.089 1.00 41.45 H new ATOM 0 HE1 TYR A 49 16.369 5.174 -3.844 1.00 70.23 H new ATOM 0 HE2 TYR A 49 17.577 4.004 0.127 1.00 71.51 H new ATOM 0 HH TYR A 49 18.654 3.371 -1.718 1.00 41.32 H new ATOM 773 N SER A 50 11.359 8.907 -0.384 1.00 71.33 N ATOM 774 CA SER A 50 10.269 9.544 0.335 1.00 43.30 C ATOM 775 C SER A 50 9.944 8.765 1.617 1.00 34.52 C ATOM 776 O SER A 50 10.238 7.571 1.714 1.00 54.31 O ATOM 777 CB SER A 50 9.058 9.624 -0.600 1.00 71.11 C ATOM 778 OG SER A 50 9.417 10.308 -1.789 1.00 40.51 O ATOM 0 H SER A 50 11.040 8.303 -1.141 1.00 71.33 H new ATOM 0 HA SER A 50 10.553 10.551 0.639 1.00 43.30 H new ATOM 0 HB2 SER A 50 8.704 8.621 -0.839 1.00 71.11 H new ATOM 0 HB3 SER A 50 8.237 10.142 -0.104 1.00 71.11 H new ATOM 0 HG SER A 50 9.566 9.659 -2.508 1.00 40.51 H new ATOM 784 N PRO A 51 9.284 9.390 2.607 1.00 45.31 N ATOM 785 CA PRO A 51 8.835 8.703 3.814 1.00 14.14 C ATOM 786 C PRO A 51 7.590 7.840 3.564 1.00 50.11 C ATOM 787 O PRO A 51 7.277 6.980 4.386 1.00 71.13 O ATOM 788 CB PRO A 51 8.559 9.817 4.828 1.00 3.42 C ATOM 789 CG PRO A 51 8.139 10.993 3.947 1.00 72.25 C ATOM 790 CD PRO A 51 8.990 10.812 2.692 1.00 32.24 C ATOM 0 HA PRO A 51 9.588 8.002 4.175 1.00 14.14 H new ATOM 0 HB2 PRO A 51 7.773 9.538 5.529 1.00 3.42 H new ATOM 0 HB3 PRO A 51 9.444 10.052 5.419 1.00 3.42 H new ATOM 0 HG2 PRO A 51 7.074 10.964 3.718 1.00 72.25 H new ATOM 0 HG3 PRO A 51 8.335 11.949 4.432 1.00 72.25 H new ATOM 0 HD2 PRO A 51 8.455 11.153 1.806 1.00 32.24 H new ATOM 0 HD3 PRO A 51 9.908 11.397 2.755 1.00 32.24 H new ATOM 798 N TYR A 52 6.886 8.040 2.439 1.00 35.41 N ATOM 799 CA TYR A 52 5.606 7.392 2.145 1.00 61.31 C ATOM 800 C TYR A 52 5.728 5.923 1.748 1.00 65.42 C ATOM 801 O TYR A 52 4.737 5.326 1.325 1.00 64.22 O ATOM 802 CB TYR A 52 4.839 8.162 1.050 1.00 11.43 C ATOM 803 CG TYR A 52 4.681 9.640 1.300 1.00 40.11 C ATOM 804 CD1 TYR A 52 4.071 10.075 2.481 1.00 4.44 C ATOM 805 CD2 TYR A 52 5.129 10.576 0.355 1.00 32.03 C ATOM 806 CE1 TYR A 52 3.995 11.441 2.775 1.00 3.05 C ATOM 807 CE2 TYR A 52 5.005 11.951 0.610 1.00 14.22 C ATOM 808 CZ TYR A 52 4.445 12.393 1.829 1.00 55.32 C ATOM 809 OH TYR A 52 4.312 13.725 2.079 1.00 14.03 O ATOM 0 H TYR A 52 7.199 8.668 1.698 1.00 35.41 H new ATOM 0 HA TYR A 52 5.050 7.417 3.082 1.00 61.31 H new ATOM 0 HB2 TYR A 52 5.355 8.023 0.100 1.00 11.43 H new ATOM 0 HB3 TYR A 52 3.849 7.719 0.942 1.00 11.43 H new ATOM 0 HD1 TYR A 52 3.657 9.353 3.169 1.00 4.44 H new ATOM 0 HD2 TYR A 52 5.570 10.238 -0.571 1.00 32.03 H new ATOM 0 HE1 TYR A 52 3.593 11.769 3.723 1.00 3.05 H new ATOM 0 HE2 TYR A 52 5.337 12.670 -0.125 1.00 14.22 H new ATOM 0 HH TYR A 52 4.674 14.237 1.326 1.00 14.03 H new ATOM 819 N LEU A 53 6.932 5.363 1.789 1.00 12.11 N ATOM 820 CA LEU A 53 7.275 4.108 1.159 1.00 61.45 C ATOM 821 C LEU A 53 8.421 3.533 1.974 1.00 72.14 C ATOM 822 O LEU A 53 9.567 3.947 1.791 1.00 62.23 O ATOM 823 CB LEU A 53 7.653 4.391 -0.306 1.00 12.23 C ATOM 824 CG LEU A 53 6.550 3.998 -1.306 1.00 4.42 C ATOM 825 CD1 LEU A 53 6.905 4.549 -2.679 1.00 40.31 C ATOM 826 CD2 LEU A 53 6.330 2.491 -1.417 1.00 1.53 C ATOM 0 H LEU A 53 7.717 5.790 2.280 1.00 12.11 H new ATOM 0 HA LEU A 53 6.458 3.387 1.137 1.00 61.45 H new ATOM 0 HB2 LEU A 53 7.874 5.452 -0.418 1.00 12.23 H new ATOM 0 HB3 LEU A 53 8.566 3.847 -0.550 1.00 12.23 H new ATOM 0 HG LEU A 53 5.620 4.425 -0.930 1.00 4.42 H new ATOM 0 HD11 LEU A 53 6.128 4.275 -3.393 1.00 40.31 H new ATOM 0 HD12 LEU A 53 6.982 5.635 -2.626 1.00 40.31 H new ATOM 0 HD13 LEU A 53 7.859 4.133 -3.003 1.00 40.31 H new ATOM 0 HD21 LEU A 53 5.539 2.291 -2.139 1.00 1.53 H new ATOM 0 HD22 LEU A 53 7.252 2.012 -1.747 1.00 1.53 H new ATOM 0 HD23 LEU A 53 6.042 2.093 -0.444 1.00 1.53 H new ATOM 838 N LYS A 54 8.116 2.652 2.930 1.00 23.14 N ATOM 839 CA LYS A 54 9.127 2.062 3.808 1.00 20.44 C ATOM 840 C LYS A 54 8.872 0.567 3.952 1.00 12.21 C ATOM 841 O LYS A 54 7.709 0.160 4.042 1.00 5.11 O ATOM 842 CB LYS A 54 9.102 2.726 5.193 1.00 24.31 C ATOM 843 CG LYS A 54 9.758 4.114 5.184 1.00 3.31 C ATOM 844 CD LYS A 54 9.795 4.715 6.594 1.00 73.25 C ATOM 845 CE LYS A 54 8.400 5.212 6.994 1.00 0.42 C ATOM 846 NZ LYS A 54 8.231 5.311 8.457 1.00 14.52 N ATOM 0 H LYS A 54 7.166 2.330 3.116 1.00 23.14 H new ATOM 0 HA LYS A 54 10.109 2.226 3.363 1.00 20.44 H new ATOM 0 HB2 LYS A 54 8.070 2.816 5.532 1.00 24.31 H new ATOM 0 HB3 LYS A 54 9.618 2.087 5.910 1.00 24.31 H new ATOM 0 HG2 LYS A 54 10.772 4.038 4.791 1.00 3.31 H new ATOM 0 HG3 LYS A 54 9.206 4.776 4.517 1.00 3.31 H new ATOM 0 HD2 LYS A 54 10.141 3.967 7.307 1.00 73.25 H new ATOM 0 HD3 LYS A 54 10.506 5.540 6.627 1.00 73.25 H new ATOM 0 HE2 LYS A 54 8.224 6.189 6.545 1.00 0.42 H new ATOM 0 HE3 LYS A 54 7.647 4.535 6.590 1.00 0.42 H new ATOM 0 HZ1 LYS A 54 7.272 5.651 8.673 1.00 14.52 H new ATOM 0 HZ2 LYS A 54 8.372 4.374 8.887 1.00 14.52 H new ATOM 0 HZ3 LYS A 54 8.930 5.977 8.843 1.00 14.52 H new ATOM 860 N PRO A 55 9.928 -0.252 4.043 1.00 13.22 N ATOM 861 CA PRO A 55 9.783 -1.687 4.182 1.00 11.13 C ATOM 862 C PRO A 55 9.315 -2.042 5.595 1.00 44.42 C ATOM 863 O PRO A 55 9.312 -1.207 6.505 1.00 41.05 O ATOM 864 CB PRO A 55 11.174 -2.244 3.877 1.00 15.35 C ATOM 865 CG PRO A 55 12.104 -1.145 4.385 1.00 33.14 C ATOM 866 CD PRO A 55 11.336 0.125 4.040 1.00 33.41 C ATOM 0 HA PRO A 55 9.032 -2.107 3.512 1.00 11.13 H new ATOM 0 HB2 PRO A 55 11.351 -3.190 4.388 1.00 15.35 H new ATOM 0 HB3 PRO A 55 11.310 -2.427 2.811 1.00 15.35 H new ATOM 0 HG2 PRO A 55 12.286 -1.231 5.456 1.00 33.14 H new ATOM 0 HG3 PRO A 55 13.076 -1.177 3.893 1.00 33.14 H new ATOM 0 HD2 PRO A 55 11.532 0.911 4.769 1.00 33.41 H new ATOM 0 HD3 PRO A 55 11.636 0.511 3.066 1.00 33.41 H new ATOM 874 N ARG A 56 8.956 -3.305 5.788 1.00 60.24 N ATOM 875 CA ARG A 56 8.696 -3.937 7.072 1.00 4.23 C ATOM 876 C ARG A 56 9.305 -5.337 7.037 1.00 72.41 C ATOM 877 O ARG A 56 10.092 -5.650 6.140 1.00 41.21 O ATOM 878 CB ARG A 56 7.190 -3.905 7.388 1.00 41.11 C ATOM 879 CG ARG A 56 6.842 -2.568 8.063 1.00 51.02 C ATOM 880 CD ARG A 56 5.640 -2.745 8.983 1.00 60.44 C ATOM 881 NE ARG A 56 5.439 -1.578 9.854 1.00 62.04 N ATOM 882 CZ ARG A 56 4.697 -0.499 9.601 1.00 14.41 C ATOM 883 NH1 ARG A 56 4.119 -0.333 8.422 1.00 61.13 N ATOM 884 NH2 ARG A 56 4.533 0.424 10.537 1.00 24.45 N ATOM 0 H ARG A 56 8.832 -3.950 5.008 1.00 60.24 H new ATOM 0 HA ARG A 56 9.166 -3.396 7.893 1.00 4.23 H new ATOM 0 HB2 ARG A 56 6.612 -4.025 6.472 1.00 41.11 H new ATOM 0 HB3 ARG A 56 6.926 -4.736 8.042 1.00 41.11 H new ATOM 0 HG2 ARG A 56 7.697 -2.206 8.634 1.00 51.02 H new ATOM 0 HG3 ARG A 56 6.623 -1.815 7.306 1.00 51.02 H new ATOM 0 HD2 ARG A 56 4.745 -2.909 8.383 1.00 60.44 H new ATOM 0 HD3 ARG A 56 5.780 -3.635 9.596 1.00 60.44 H new ATOM 0 HE ARG A 56 5.921 -1.595 10.753 1.00 62.04 H new ATOM 0 HH11 ARG A 56 4.238 -1.036 7.692 1.00 61.13 H new ATOM 0 HH12 ARG A 56 3.554 0.497 8.243 1.00 61.13 H new ATOM 0 HH21 ARG A 56 4.974 0.309 11.450 1.00 24.45 H new ATOM 0 HH22 ARG A 56 3.966 1.250 10.345 1.00 24.45 H new ATOM 898 N VAL A 57 9.004 -6.148 8.044 1.00 14.50 N ATOM 899 CA VAL A 57 9.162 -7.586 8.032 1.00 33.35 C ATOM 900 C VAL A 57 7.884 -8.130 8.662 1.00 0.42 C ATOM 901 O VAL A 57 7.449 -7.652 9.714 1.00 23.31 O ATOM 902 CB VAL A 57 10.434 -7.983 8.806 1.00 72.32 C ATOM 903 CG1 VAL A 57 10.568 -9.502 8.977 1.00 71.14 C ATOM 904 CG2 VAL A 57 11.722 -7.438 8.169 1.00 51.21 C ATOM 0 H VAL A 57 8.628 -5.801 8.926 1.00 14.50 H new ATOM 0 HA VAL A 57 9.294 -7.997 7.031 1.00 33.35 H new ATOM 0 HB VAL A 57 10.312 -7.523 9.787 1.00 72.32 H new ATOM 0 HG11 VAL A 57 11.481 -9.727 9.529 1.00 71.14 H new ATOM 0 HG12 VAL A 57 9.708 -9.883 9.527 1.00 71.14 H new ATOM 0 HG13 VAL A 57 10.611 -9.976 7.996 1.00 71.14 H new ATOM 0 HG21 VAL A 57 12.582 -7.752 8.761 1.00 51.21 H new ATOM 0 HG22 VAL A 57 11.819 -7.826 7.155 1.00 51.21 H new ATOM 0 HG23 VAL A 57 11.681 -6.349 8.139 1.00 51.21 H new ATOM 914 N ILE A 58 7.286 -9.130 8.022 1.00 3.45 N ATOM 915 CA ILE A 58 6.152 -9.870 8.548 1.00 73.10 C ATOM 916 C ILE A 58 6.510 -11.329 8.362 1.00 45.34 C ATOM 917 O ILE A 58 6.661 -11.758 7.226 1.00 12.31 O ATOM 918 CB ILE A 58 4.835 -9.511 7.819 1.00 33.05 C ATOM 919 CG1 ILE A 58 4.478 -8.015 7.965 1.00 64.02 C ATOM 920 CG2 ILE A 58 3.716 -10.418 8.359 1.00 54.22 C ATOM 921 CD1 ILE A 58 3.924 -7.659 9.345 1.00 75.52 C ATOM 0 H ILE A 58 7.586 -9.453 7.102 1.00 3.45 H new ATOM 0 HA ILE A 58 5.970 -9.626 9.595 1.00 73.10 H new ATOM 0 HB ILE A 58 4.960 -9.682 6.750 1.00 33.05 H new ATOM 0 HG12 ILE A 58 5.368 -7.415 7.772 1.00 64.02 H new ATOM 0 HG13 ILE A 58 3.743 -7.748 7.206 1.00 64.02 H new ATOM 0 HG21 ILE A 58 2.779 -10.179 7.856 1.00 54.22 H new ATOM 0 HG22 ILE A 58 3.972 -11.461 8.173 1.00 54.22 H new ATOM 0 HG23 ILE A 58 3.603 -10.258 9.431 1.00 54.22 H new ATOM 0 HD11 ILE A 58 3.694 -6.594 9.381 1.00 75.52 H new ATOM 0 HD12 ILE A 58 3.017 -8.233 9.532 1.00 75.52 H new ATOM 0 HD13 ILE A 58 4.666 -7.896 10.107 1.00 75.52 H new ATOM 933 N GLU A 59 6.691 -12.092 9.439 1.00 13.33 N ATOM 934 CA GLU A 59 6.938 -13.537 9.367 1.00 34.25 C ATOM 935 C GLU A 59 8.148 -13.877 8.474 1.00 72.41 C ATOM 936 O GLU A 59 8.172 -14.916 7.809 1.00 45.44 O ATOM 937 CB GLU A 59 5.664 -14.279 8.916 1.00 20.03 C ATOM 938 CG GLU A 59 4.424 -13.934 9.747 1.00 41.22 C ATOM 939 CD GLU A 59 3.234 -14.815 9.386 1.00 14.45 C ATOM 940 OE1 GLU A 59 2.814 -14.846 8.207 1.00 12.25 O ATOM 941 OE2 GLU A 59 2.697 -15.481 10.302 1.00 44.34 O ATOM 0 H GLU A 59 6.671 -11.727 10.391 1.00 13.33 H new ATOM 0 HA GLU A 59 7.194 -13.881 10.369 1.00 34.25 H new ATOM 0 HB2 GLU A 59 5.467 -14.042 7.870 1.00 20.03 H new ATOM 0 HB3 GLU A 59 5.841 -15.353 8.972 1.00 20.03 H new ATOM 0 HG2 GLU A 59 4.653 -14.050 10.806 1.00 41.22 H new ATOM 0 HG3 GLU A 59 4.162 -12.888 9.590 1.00 41.22 H new ATOM 948 N GLY A 60 9.141 -12.982 8.415 1.00 72.42 N ATOM 949 CA GLY A 60 10.316 -13.118 7.560 1.00 61.32 C ATOM 950 C GLY A 60 10.091 -12.701 6.102 1.00 72.50 C ATOM 951 O GLY A 60 11.073 -12.580 5.362 1.00 3.32 O ATOM 0 H GLY A 60 9.146 -12.128 8.973 1.00 72.42 H new ATOM 0 HA2 GLY A 60 11.124 -12.517 7.976 1.00 61.32 H new ATOM 0 HA3 GLY A 60 10.647 -14.156 7.581 1.00 61.32 H new ATOM 955 N VAL A 61 8.859 -12.405 5.685 1.00 51.33 N ATOM 956 CA VAL A 61 8.567 -11.674 4.456 1.00 50.11 C ATOM 957 C VAL A 61 9.127 -10.264 4.609 1.00 23.21 C ATOM 958 O VAL A 61 9.475 -9.822 5.705 1.00 20.12 O ATOM 959 CB VAL A 61 7.049 -11.664 4.129 1.00 13.42 C ATOM 960 CG1 VAL A 61 6.740 -11.208 2.687 1.00 31.23 C ATOM 961 CG2 VAL A 61 6.402 -13.044 4.299 1.00 61.23 C ATOM 0 H VAL A 61 8.022 -12.673 6.203 1.00 51.33 H new ATOM 0 HA VAL A 61 9.041 -12.171 3.610 1.00 50.11 H new ATOM 0 HB VAL A 61 6.635 -10.952 4.843 1.00 13.42 H new ATOM 0 HG11 VAL A 61 5.662 -11.224 2.523 1.00 31.23 H new ATOM 0 HG12 VAL A 61 7.115 -10.196 2.537 1.00 31.23 H new ATOM 0 HG13 VAL A 61 7.224 -11.882 1.981 1.00 31.23 H new ATOM 0 HG21 VAL A 61 5.341 -12.981 4.058 1.00 61.23 H new ATOM 0 HG22 VAL A 61 6.884 -13.757 3.630 1.00 61.23 H new ATOM 0 HG23 VAL A 61 6.520 -13.377 5.330 1.00 61.23 H new ATOM 971 N ARG A 62 9.251 -9.566 3.488 1.00 42.34 N ATOM 972 CA ARG A 62 9.553 -8.146 3.435 1.00 22.42 C ATOM 973 C ARG A 62 8.256 -7.389 3.786 1.00 13.44 C ATOM 974 O ARG A 62 7.993 -7.136 4.959 1.00 71.24 O ATOM 975 CB ARG A 62 10.208 -7.844 2.065 1.00 22.31 C ATOM 976 CG ARG A 62 11.460 -8.700 1.761 1.00 61.30 C ATOM 977 CD ARG A 62 11.141 -9.949 0.912 1.00 33.54 C ATOM 978 NE ARG A 62 11.876 -11.148 1.328 1.00 45.13 N ATOM 979 CZ ARG A 62 11.745 -12.365 0.777 1.00 23.54 C ATOM 980 NH1 ARG A 62 10.926 -12.611 -0.245 1.00 14.41 N ATOM 981 NH2 ARG A 62 12.452 -13.376 1.261 1.00 32.51 N ATOM 0 H ARG A 62 9.141 -9.986 2.565 1.00 42.34 H new ATOM 0 HA ARG A 62 10.288 -7.804 4.164 1.00 22.42 H new ATOM 0 HB2 ARG A 62 9.471 -8.006 1.278 1.00 22.31 H new ATOM 0 HB3 ARG A 62 10.485 -6.790 2.031 1.00 22.31 H new ATOM 0 HG2 ARG A 62 12.194 -8.088 1.237 1.00 61.30 H new ATOM 0 HG3 ARG A 62 11.918 -9.012 2.700 1.00 61.30 H new ATOM 0 HD2 ARG A 62 10.071 -10.152 0.968 1.00 33.54 H new ATOM 0 HD3 ARG A 62 11.371 -9.736 -0.132 1.00 33.54 H new ATOM 0 HE ARG A 62 12.539 -11.049 2.097 1.00 45.13 H new ATOM 0 HH11 ARG A 62 10.365 -11.857 -0.642 1.00 14.41 H new ATOM 0 HH12 ARG A 62 10.860 -13.553 -0.631 1.00 14.41 H new ATOM 0 HH21 ARG A 62 13.088 -13.225 2.044 1.00 32.51 H new ATOM 0 HH22 ARG A 62 12.361 -14.305 0.850 1.00 32.51 H new ATOM 995 N CYS A 63 7.379 -7.155 2.807 1.00 51.21 N ATOM 996 CA CYS A 63 6.145 -6.355 2.869 1.00 14.41 C ATOM 997 C CYS A 63 6.486 -4.861 2.895 1.00 51.02 C ATOM 998 O CYS A 63 7.388 -4.429 3.616 1.00 40.41 O ATOM 999 CB CYS A 63 5.205 -6.748 4.024 1.00 21.21 C ATOM 1000 SG CYS A 63 4.931 -8.541 4.019 1.00 13.31 S ATOM 0 H CYS A 63 7.521 -7.549 1.877 1.00 51.21 H new ATOM 0 HA CYS A 63 5.581 -6.575 1.962 1.00 14.41 H new ATOM 0 HB2 CYS A 63 5.637 -6.441 4.976 1.00 21.21 H new ATOM 0 HB3 CYS A 63 4.253 -6.226 3.923 1.00 21.21 H new ATOM 0 HG CYS A 63 3.981 -8.837 4.856 1.00 13.31 H new ATOM 1006 N LEU A 64 5.813 -4.069 2.055 1.00 52.23 N ATOM 1007 CA LEU A 64 6.168 -2.677 1.779 1.00 14.42 C ATOM 1008 C LEU A 64 4.979 -1.791 2.127 1.00 63.42 C ATOM 1009 O LEU A 64 3.904 -1.959 1.549 1.00 5.13 O ATOM 1010 CB LEU A 64 6.571 -2.507 0.305 1.00 24.53 C ATOM 1011 CG LEU A 64 7.660 -1.445 0.078 1.00 25.01 C ATOM 1012 CD1 LEU A 64 7.888 -1.262 -1.418 1.00 4.32 C ATOM 1013 CD2 LEU A 64 7.329 -0.068 0.631 1.00 63.41 C ATOM 0 H LEU A 64 4.992 -4.385 1.539 1.00 52.23 H new ATOM 0 HA LEU A 64 7.024 -2.385 2.388 1.00 14.42 H new ATOM 0 HB2 LEU A 64 6.925 -3.464 -0.078 1.00 24.53 H new ATOM 0 HB3 LEU A 64 5.688 -2.238 -0.275 1.00 24.53 H new ATOM 0 HG LEU A 64 8.535 -1.823 0.608 1.00 25.01 H new ATOM 0 HD11 LEU A 64 8.660 -0.509 -1.579 1.00 4.32 H new ATOM 0 HD12 LEU A 64 8.207 -2.208 -1.856 1.00 4.32 H new ATOM 0 HD13 LEU A 64 6.961 -0.938 -1.890 1.00 4.32 H new ATOM 0 HD21 LEU A 64 8.153 0.615 0.425 1.00 63.41 H new ATOM 0 HD22 LEU A 64 6.421 0.306 0.157 1.00 63.41 H new ATOM 0 HD23 LEU A 64 7.175 -0.136 1.708 1.00 63.41 H new ATOM 1025 N ALA A 65 5.158 -0.897 3.096 1.00 32.51 N ATOM 1026 CA ALA A 65 4.132 0.032 3.525 1.00 14.42 C ATOM 1027 C ALA A 65 4.046 1.207 2.548 1.00 0.22 C ATOM 1028 O ALA A 65 5.077 1.801 2.228 1.00 61.15 O ATOM 1029 CB ALA A 65 4.470 0.519 4.934 1.00 23.13 C ATOM 0 H ALA A 65 6.035 -0.801 3.609 1.00 32.51 H new ATOM 0 HA ALA A 65 3.161 -0.463 3.539 1.00 14.42 H new ATOM 0 HB1 ALA A 65 3.706 1.220 5.270 1.00 23.13 H new ATOM 0 HB2 ALA A 65 4.506 -0.332 5.614 1.00 23.13 H new ATOM 0 HB3 ALA A 65 5.439 1.017 4.924 1.00 23.13 H new ATOM 1035 N VAL A 66 2.836 1.559 2.119 1.00 75.35 N ATOM 1036 CA VAL A 66 2.506 2.663 1.233 1.00 74.03 C ATOM 1037 C VAL A 66 1.644 3.586 2.111 1.00 61.10 C ATOM 1038 O VAL A 66 0.544 3.205 2.523 1.00 70.34 O ATOM 1039 CB VAL A 66 1.762 2.154 -0.002 1.00 44.43 C ATOM 1040 CG1 VAL A 66 1.617 3.277 -1.027 1.00 75.03 C ATOM 1041 CG2 VAL A 66 2.501 0.984 -0.660 1.00 25.35 C ATOM 0 H VAL A 66 2.005 1.041 2.404 1.00 75.35 H new ATOM 0 HA VAL A 66 3.377 3.186 0.837 1.00 74.03 H new ATOM 0 HB VAL A 66 0.781 1.812 0.327 1.00 44.43 H new ATOM 0 HG11 VAL A 66 1.086 2.904 -1.903 1.00 75.03 H new ATOM 0 HG12 VAL A 66 1.056 4.102 -0.586 1.00 75.03 H new ATOM 0 HG13 VAL A 66 2.605 3.628 -1.324 1.00 75.03 H new ATOM 0 HG21 VAL A 66 1.944 0.647 -1.534 1.00 25.35 H new ATOM 0 HG22 VAL A 66 3.496 1.308 -0.966 1.00 25.35 H new ATOM 0 HG23 VAL A 66 2.590 0.163 0.052 1.00 25.35 H new ATOM 1051 N ASP A 67 2.178 4.741 2.502 1.00 31.44 N ATOM 1052 CA ASP A 67 1.479 5.719 3.343 1.00 30.14 C ATOM 1053 C ASP A 67 0.350 6.375 2.538 1.00 71.51 C ATOM 1054 O ASP A 67 0.602 6.974 1.485 1.00 21.33 O ATOM 1055 CB ASP A 67 2.465 6.793 3.830 1.00 25.40 C ATOM 1056 CG ASP A 67 1.877 7.780 4.843 1.00 4.24 C ATOM 1057 OD1 ASP A 67 0.656 7.775 5.093 1.00 75.44 O ATOM 1058 OD2 ASP A 67 2.664 8.596 5.381 1.00 41.32 O ATOM 0 H ASP A 67 3.121 5.031 2.242 1.00 31.44 H new ATOM 0 HA ASP A 67 1.056 5.210 4.209 1.00 30.14 H new ATOM 0 HB2 ASP A 67 3.327 6.300 4.280 1.00 25.40 H new ATOM 0 HB3 ASP A 67 2.831 7.351 2.968 1.00 25.40 H new ATOM 1063 N LEU A 68 -0.889 6.310 3.037 1.00 14.51 N ATOM 1064 CA LEU A 68 -2.054 6.969 2.433 1.00 52.42 C ATOM 1065 C LEU A 68 -1.857 8.483 2.319 1.00 1.25 C ATOM 1066 O LEU A 68 -2.505 9.131 1.492 1.00 71.11 O ATOM 1067 CB LEU A 68 -3.331 6.674 3.247 1.00 71.03 C ATOM 1068 CG LEU A 68 -4.291 5.663 2.607 1.00 54.35 C ATOM 1069 CD1 LEU A 68 -5.315 5.214 3.660 1.00 54.30 C ATOM 1070 CD2 LEU A 68 -5.014 6.304 1.413 1.00 52.45 C ATOM 0 H LEU A 68 -1.115 5.790 3.885 1.00 14.51 H new ATOM 0 HA LEU A 68 -2.164 6.563 1.427 1.00 52.42 H new ATOM 0 HB2 LEU A 68 -3.039 6.303 4.230 1.00 71.03 H new ATOM 0 HB3 LEU A 68 -3.866 7.610 3.406 1.00 71.03 H new ATOM 0 HG LEU A 68 -3.728 4.801 2.249 1.00 54.35 H new ATOM 0 HD11 LEU A 68 -6.003 4.495 3.215 1.00 54.30 H new ATOM 0 HD12 LEU A 68 -4.795 4.749 4.498 1.00 54.30 H new ATOM 0 HD13 LEU A 68 -5.875 6.079 4.015 1.00 54.30 H new ATOM 0 HD21 LEU A 68 -5.693 5.578 0.966 1.00 52.45 H new ATOM 0 HD22 LEU A 68 -5.582 7.170 1.754 1.00 52.45 H new ATOM 0 HD23 LEU A 68 -4.281 6.620 0.671 1.00 52.45 H new ATOM 1082 N LYS A 69 -0.943 9.068 3.101 1.00 4.13 N ATOM 1083 CA LYS A 69 -0.607 10.483 3.018 1.00 40.10 C ATOM 1084 C LYS A 69 -0.142 10.840 1.618 1.00 5.11 C ATOM 1085 O LYS A 69 -0.390 11.964 1.188 1.00 44.13 O ATOM 1086 CB LYS A 69 0.464 10.816 4.062 1.00 3.11 C ATOM 1087 CG LYS A 69 0.537 12.299 4.445 1.00 5.40 C ATOM 1088 CD LYS A 69 1.295 13.235 3.484 1.00 74.21 C ATOM 1089 CE LYS A 69 0.476 14.409 2.943 1.00 0.00 C ATOM 1090 NZ LYS A 69 -0.081 15.276 4.003 1.00 53.05 N ATOM 0 H LYS A 69 -0.415 8.564 3.813 1.00 4.13 H new ATOM 0 HA LYS A 69 -1.495 11.078 3.229 1.00 40.10 H new ATOM 0 HB2 LYS A 69 0.272 10.230 4.961 1.00 3.11 H new ATOM 0 HB3 LYS A 69 1.436 10.504 3.680 1.00 3.11 H new ATOM 0 HG2 LYS A 69 -0.482 12.673 4.548 1.00 5.40 H new ATOM 0 HG3 LYS A 69 1.004 12.372 5.427 1.00 5.40 H new ATOM 0 HD2 LYS A 69 2.170 13.630 4.000 1.00 74.21 H new ATOM 0 HD3 LYS A 69 1.660 12.648 2.642 1.00 74.21 H new ATOM 0 HE2 LYS A 69 1.106 15.010 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.341 14.022 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.998 15.657 3.694 1.00 53.05 H new ATOM 0 HZ2 LYS A 69 -0.212 14.721 4.872 1.00 53.05 H new ATOM 0 HZ3 LYS A 69 0.575 16.061 4.190 1.00 53.05 H new ATOM 1104 N LEU A 70 0.491 9.923 0.874 1.00 42.21 N ATOM 1105 CA LEU A 70 0.879 10.251 -0.488 1.00 10.22 C ATOM 1106 C LEU A 70 -0.360 10.612 -1.321 1.00 43.51 C ATOM 1107 O LEU A 70 -0.259 11.504 -2.150 1.00 23.24 O ATOM 1108 CB LEU A 70 1.719 9.147 -1.136 1.00 13.43 C ATOM 1109 CG LEU A 70 2.003 9.443 -2.633 1.00 13.11 C ATOM 1110 CD1 LEU A 70 3.019 10.583 -2.779 1.00 34.34 C ATOM 1111 CD2 LEU A 70 2.591 8.219 -3.300 1.00 71.14 C ATOM 0 H LEU A 70 0.735 8.983 1.185 1.00 42.21 H new ATOM 0 HA LEU A 70 1.526 11.128 -0.453 1.00 10.22 H new ATOM 0 HB2 LEU A 70 2.663 9.046 -0.600 1.00 13.43 H new ATOM 0 HB3 LEU A 70 1.198 8.194 -1.046 1.00 13.43 H new ATOM 0 HG LEU A 70 1.058 9.722 -3.099 1.00 13.11 H new ATOM 0 HD11 LEU A 70 3.203 10.773 -3.836 1.00 34.34 H new ATOM 0 HD12 LEU A 70 2.624 11.485 -2.311 1.00 34.34 H new ATOM 0 HD13 LEU A 70 3.953 10.302 -2.293 1.00 34.34 H new ATOM 0 HD21 LEU A 70 2.787 8.436 -4.350 1.00 71.14 H new ATOM 0 HD22 LEU A 70 3.524 7.948 -2.805 1.00 71.14 H new ATOM 0 HD23 LEU A 70 1.887 7.391 -3.226 1.00 71.14 H new ATOM 1123 N LYS A 71 -1.538 10.005 -1.119 1.00 14.32 N ATOM 1124 CA LYS A 71 -2.696 10.296 -1.977 1.00 60.41 C ATOM 1125 C LYS A 71 -3.164 11.745 -1.814 1.00 3.24 C ATOM 1126 O LYS A 71 -3.641 12.314 -2.787 1.00 12.11 O ATOM 1127 CB LYS A 71 -3.835 9.292 -1.715 1.00 62.32 C ATOM 1128 CG LYS A 71 -5.011 9.349 -2.722 1.00 14.32 C ATOM 1129 CD LYS A 71 -5.277 7.999 -3.416 1.00 24.15 C ATOM 1130 CE LYS A 71 -6.700 7.841 -3.984 1.00 33.00 C ATOM 1131 NZ LYS A 71 -7.045 8.756 -5.095 1.00 11.55 N ATOM 0 H LYS A 71 -1.713 9.321 -0.383 1.00 14.32 H new ATOM 0 HA LYS A 71 -2.385 10.179 -3.015 1.00 60.41 H new ATOM 0 HB2 LYS A 71 -3.419 8.285 -1.724 1.00 62.32 H new ATOM 0 HB3 LYS A 71 -4.227 9.466 -0.713 1.00 62.32 H new ATOM 0 HG2 LYS A 71 -5.914 9.667 -2.200 1.00 14.32 H new ATOM 0 HG3 LYS A 71 -4.798 10.104 -3.479 1.00 14.32 H new ATOM 0 HD2 LYS A 71 -4.560 7.875 -4.227 1.00 24.15 H new ATOM 0 HD3 LYS A 71 -5.093 7.196 -2.702 1.00 24.15 H new ATOM 0 HE2 LYS A 71 -6.823 6.815 -4.330 1.00 33.00 H new ATOM 0 HE3 LYS A 71 -7.415 7.993 -3.175 1.00 33.00 H new ATOM 0 HZ1 LYS A 71 -8.020 8.572 -5.407 1.00 11.55 H new ATOM 0 HZ2 LYS A 71 -6.965 9.741 -4.771 1.00 11.55 H new ATOM 0 HZ3 LYS A 71 -6.392 8.599 -5.889 1.00 11.55 H new ATOM 1145 N ASP A 72 -2.971 12.370 -0.647 1.00 70.43 N ATOM 1146 CA ASP A 72 -3.257 13.795 -0.428 1.00 1.42 C ATOM 1147 C ASP A 72 -2.425 14.657 -1.381 1.00 41.15 C ATOM 1148 O ASP A 72 -2.944 15.518 -2.095 1.00 21.02 O ATOM 1149 CB ASP A 72 -2.969 14.142 1.044 1.00 23.30 C ATOM 1150 CG ASP A 72 -2.872 15.637 1.383 1.00 20.22 C ATOM 1151 OD1 ASP A 72 -3.436 16.505 0.683 1.00 5.21 O ATOM 1152 OD2 ASP A 72 -2.146 15.975 2.351 1.00 53.24 O ATOM 0 H ASP A 72 -2.608 11.897 0.181 1.00 70.43 H new ATOM 0 HA ASP A 72 -4.307 14.000 -0.637 1.00 1.42 H new ATOM 0 HB2 ASP A 72 -3.754 13.702 1.659 1.00 23.30 H new ATOM 0 HB3 ASP A 72 -2.032 13.664 1.331 1.00 23.30 H new ATOM 1157 N THR A 73 -1.125 14.392 -1.422 1.00 23.34 N ATOM 1158 CA THR A 73 -0.140 15.247 -2.071 1.00 14.23 C ATOM 1159 C THR A 73 0.126 14.855 -3.542 1.00 33.25 C ATOM 1160 O THR A 73 0.433 15.723 -4.363 1.00 41.33 O ATOM 1161 CB THR A 73 1.091 15.294 -1.143 1.00 52.03 C ATOM 1162 OG1 THR A 73 2.036 16.239 -1.598 1.00 55.22 O ATOM 1163 CG2 THR A 73 1.771 13.935 -0.983 1.00 71.04 C ATOM 0 H THR A 73 -0.718 13.559 -0.996 1.00 23.34 H new ATOM 0 HA THR A 73 -0.510 16.265 -2.191 1.00 14.23 H new ATOM 0 HB THR A 73 0.714 15.593 -0.165 1.00 52.03 H new ATOM 0 HG1 THR A 73 2.806 16.250 -0.991 1.00 55.22 H new ATOM 0 HG21 THR A 73 2.630 14.034 -0.319 1.00 71.04 H new ATOM 0 HG22 THR A 73 1.064 13.222 -0.559 1.00 71.04 H new ATOM 0 HG23 THR A 73 2.105 13.578 -1.957 1.00 71.04 H new ATOM 1171 N ASN A 74 -0.030 13.578 -3.904 1.00 72.52 N ATOM 1172 CA ASN A 74 0.075 12.997 -5.245 1.00 5.11 C ATOM 1173 C ASN A 74 -0.950 11.857 -5.376 1.00 1.55 C ATOM 1174 O ASN A 74 -0.601 10.690 -5.169 1.00 12.50 O ATOM 1175 CB ASN A 74 1.505 12.514 -5.553 1.00 15.00 C ATOM 1176 CG ASN A 74 1.611 11.771 -6.890 1.00 24.21 C ATOM 1177 OD1 ASN A 74 0.701 11.784 -7.718 1.00 3.13 O ATOM 1178 ND2 ASN A 74 2.703 11.064 -7.134 1.00 24.22 N ATOM 0 H ASN A 74 -0.251 12.865 -3.208 1.00 72.52 H new ATOM 0 HA ASN A 74 -0.148 13.768 -5.983 1.00 5.11 H new ATOM 0 HB2 ASN A 74 2.177 13.372 -5.566 1.00 15.00 H new ATOM 0 HB3 ASN A 74 1.841 11.857 -4.751 1.00 15.00 H new ATOM 0 HD21 ASN A 74 2.785 10.536 -8.003 1.00 24.22 H new ATOM 0 HD22 ASN A 74 3.462 11.047 -6.453 1.00 24.22 H new ATOM 1185 N PRO A 75 -2.222 12.158 -5.700 1.00 43.11 N ATOM 1186 CA PRO A 75 -3.317 11.191 -5.858 1.00 74.13 C ATOM 1187 C PRO A 75 -3.246 10.334 -7.135 1.00 32.43 C ATOM 1188 O PRO A 75 -4.093 9.461 -7.356 1.00 55.42 O ATOM 1189 CB PRO A 75 -4.598 12.022 -5.898 1.00 4.13 C ATOM 1190 CG PRO A 75 -4.136 13.376 -6.426 1.00 43.23 C ATOM 1191 CD PRO A 75 -2.758 13.510 -5.790 1.00 23.11 C ATOM 0 HA PRO A 75 -3.265 10.480 -5.034 1.00 74.13 H new ATOM 0 HB2 PRO A 75 -5.346 11.572 -6.550 1.00 4.13 H new ATOM 0 HB3 PRO A 75 -5.049 12.111 -4.909 1.00 4.13 H new ATOM 0 HG2 PRO A 75 -4.086 13.394 -7.515 1.00 43.23 H new ATOM 0 HG3 PRO A 75 -4.805 14.182 -6.124 1.00 43.23 H new ATOM 0 HD2 PRO A 75 -2.111 14.147 -6.393 1.00 23.11 H new ATOM 0 HD3 PRO A 75 -2.827 13.969 -4.804 1.00 23.11 H new ATOM 1199 N GLU A 76 -2.259 10.587 -7.983 1.00 54.31 N ATOM 1200 CA GLU A 76 -1.858 9.679 -9.063 1.00 62.23 C ATOM 1201 C GLU A 76 -0.916 8.549 -8.594 1.00 41.52 C ATOM 1202 O GLU A 76 -1.046 7.402 -9.031 1.00 22.52 O ATOM 1203 CB GLU A 76 -1.187 10.524 -10.160 1.00 72.21 C ATOM 1204 CG GLU A 76 -1.176 9.793 -11.498 1.00 74.22 C ATOM 1205 CD GLU A 76 -1.176 10.713 -12.726 1.00 23.13 C ATOM 1206 OE1 GLU A 76 -2.191 11.399 -12.963 1.00 35.10 O ATOM 1207 OE2 GLU A 76 -0.254 10.631 -13.567 1.00 64.34 O ATOM 0 H GLU A 76 -1.702 11.441 -7.944 1.00 54.31 H new ATOM 0 HA GLU A 76 -2.749 9.176 -9.440 1.00 62.23 H new ATOM 0 HB2 GLU A 76 -1.716 11.471 -10.266 1.00 72.21 H new ATOM 0 HB3 GLU A 76 -0.165 10.761 -9.865 1.00 72.21 H new ATOM 0 HG2 GLU A 76 -0.295 9.152 -11.540 1.00 74.22 H new ATOM 0 HG3 GLU A 76 -2.048 9.141 -11.548 1.00 74.22 H new ATOM 1214 N GLY A 77 0.038 8.873 -7.715 1.00 64.13 N ATOM 1215 CA GLY A 77 1.119 7.974 -7.295 1.00 62.33 C ATOM 1216 C GLY A 77 0.671 6.774 -6.448 1.00 44.13 C ATOM 1217 O GLY A 77 0.866 5.629 -6.850 1.00 52.13 O ATOM 0 H GLY A 77 0.081 9.788 -7.266 1.00 64.13 H new ATOM 0 HA2 GLY A 77 1.629 7.602 -8.184 1.00 62.33 H new ATOM 0 HA3 GLY A 77 1.849 8.549 -6.726 1.00 62.33 H new ATOM 1221 N PHE A 78 0.062 7.027 -5.288 1.00 51.24 N ATOM 1222 CA PHE A 78 -0.625 6.045 -4.438 1.00 41.30 C ATOM 1223 C PHE A 78 -1.504 5.132 -5.293 1.00 31.23 C ATOM 1224 O PHE A 78 -1.449 3.918 -5.139 1.00 4.22 O ATOM 1225 CB PHE A 78 -1.525 6.757 -3.391 1.00 15.43 C ATOM 1226 CG PHE A 78 -1.968 5.867 -2.255 1.00 51.05 C ATOM 1227 CD1 PHE A 78 -1.157 5.627 -1.137 1.00 44.14 C ATOM 1228 CD2 PHE A 78 -3.213 5.225 -2.372 1.00 22.41 C ATOM 1229 CE1 PHE A 78 -1.566 4.683 -0.173 1.00 40.43 C ATOM 1230 CE2 PHE A 78 -3.630 4.299 -1.406 1.00 22.35 C ATOM 1231 CZ PHE A 78 -2.796 4.012 -0.313 1.00 1.03 C ATOM 0 H PHE A 78 0.031 7.967 -4.894 1.00 51.24 H new ATOM 0 HA PHE A 78 0.136 5.458 -3.924 1.00 41.30 H new ATOM 0 HB2 PHE A 78 -0.983 7.609 -2.981 1.00 15.43 H new ATOM 0 HB3 PHE A 78 -2.407 7.152 -3.894 1.00 15.43 H new ATOM 0 HD1 PHE A 78 -0.226 6.161 -1.015 1.00 44.14 H new ATOM 0 HD2 PHE A 78 -3.853 5.447 -3.213 1.00 22.41 H new ATOM 0 HE1 PHE A 78 -0.933 4.474 0.677 1.00 40.43 H new ATOM 0 HE2 PHE A 78 -4.588 3.809 -1.502 1.00 22.35 H new ATOM 0 HZ PHE A 78 -3.098 3.278 0.419 1.00 1.03 H new ATOM 1241 N ASN A 79 -2.305 5.715 -6.188 1.00 21.12 N ATOM 1242 CA ASN A 79 -3.226 5.002 -7.066 1.00 12.41 C ATOM 1243 C ASN A 79 -2.480 3.935 -7.865 1.00 34.22 C ATOM 1244 O ASN A 79 -2.803 2.752 -7.766 1.00 54.45 O ATOM 1245 CB ASN A 79 -3.910 6.028 -7.976 1.00 5.53 C ATOM 1246 CG ASN A 79 -4.439 5.407 -9.252 1.00 65.10 C ATOM 1247 OD1 ASN A 79 -5.521 4.842 -9.256 1.00 22.42 O ATOM 1248 ND2 ASN A 79 -3.730 5.574 -10.352 1.00 52.11 N ATOM 0 H ASN A 79 -2.329 6.726 -6.323 1.00 21.12 H new ATOM 0 HA ASN A 79 -3.987 4.482 -6.484 1.00 12.41 H new ATOM 0 HB2 ASN A 79 -4.732 6.497 -7.436 1.00 5.53 H new ATOM 0 HB3 ASN A 79 -3.201 6.817 -8.226 1.00 5.53 H new ATOM 0 HD21 ASN A 79 -4.082 5.226 -11.244 1.00 52.11 H new ATOM 0 HD22 ASN A 79 -2.829 6.051 -10.311 1.00 52.11 H new ATOM 1255 N GLN A 80 -1.451 4.342 -8.610 1.00 52.30 N ATOM 1256 CA GLN A 80 -0.646 3.395 -9.372 1.00 33.22 C ATOM 1257 C GLN A 80 0.046 2.366 -8.466 1.00 40.51 C ATOM 1258 O GLN A 80 0.252 1.224 -8.885 1.00 14.13 O ATOM 1259 CB GLN A 80 0.403 4.139 -10.209 1.00 11.33 C ATOM 1260 CG GLN A 80 -0.143 4.625 -11.564 1.00 61.13 C ATOM 1261 CD GLN A 80 0.919 4.500 -12.660 1.00 55.12 C ATOM 1262 OE1 GLN A 80 1.520 3.442 -12.839 1.00 0.00 O ATOM 1263 NE2 GLN A 80 1.186 5.554 -13.413 1.00 4.25 N ATOM 0 H GLN A 80 -1.159 5.315 -8.700 1.00 52.30 H new ATOM 0 HA GLN A 80 -1.324 2.854 -10.032 1.00 33.22 H new ATOM 0 HB2 GLN A 80 0.770 4.995 -9.643 1.00 11.33 H new ATOM 0 HB3 GLN A 80 1.255 3.482 -10.382 1.00 11.33 H new ATOM 0 HG2 GLN A 80 -1.022 4.041 -11.836 1.00 61.13 H new ATOM 0 HG3 GLN A 80 -0.463 5.663 -11.480 1.00 61.13 H new ATOM 0 HE21 GLN A 80 0.685 6.429 -13.261 1.00 4.25 H new ATOM 0 HE22 GLN A 80 1.893 5.491 -14.146 1.00 4.25 H new ATOM 1272 N LEU A 81 0.427 2.739 -7.240 1.00 21.45 N ATOM 1273 CA LEU A 81 1.001 1.810 -6.284 1.00 40.22 C ATOM 1274 C LEU A 81 -0.007 0.697 -5.979 1.00 14.34 C ATOM 1275 O LEU A 81 0.343 -0.483 -6.028 1.00 50.03 O ATOM 1276 CB LEU A 81 1.421 2.558 -5.002 1.00 63.24 C ATOM 1277 CG LEU A 81 2.758 2.022 -4.458 1.00 50.24 C ATOM 1278 CD1 LEU A 81 2.648 0.530 -4.185 1.00 22.12 C ATOM 1279 CD2 LEU A 81 3.956 2.670 -5.132 1.00 40.03 C ATOM 0 H LEU A 81 0.343 3.694 -6.891 1.00 21.45 H new ATOM 0 HA LEU A 81 1.895 1.354 -6.709 1.00 40.22 H new ATOM 0 HB2 LEU A 81 1.512 3.624 -5.213 1.00 63.24 H new ATOM 0 HB3 LEU A 81 0.646 2.448 -4.243 1.00 63.24 H new ATOM 0 HG LEU A 81 3.006 2.359 -3.452 1.00 50.24 H new ATOM 0 HD11 LEU A 81 3.598 0.159 -3.801 1.00 22.12 H new ATOM 0 HD12 LEU A 81 1.864 0.352 -3.449 1.00 22.12 H new ATOM 0 HD13 LEU A 81 2.402 0.008 -5.110 1.00 22.12 H new ATOM 0 HD21 LEU A 81 4.875 2.259 -4.714 1.00 40.03 H new ATOM 0 HD22 LEU A 81 3.923 2.470 -6.203 1.00 40.03 H new ATOM 0 HD23 LEU A 81 3.930 3.747 -4.963 1.00 40.03 H new ATOM 1291 N MET A 82 -1.259 1.069 -5.686 1.00 24.22 N ATOM 1292 CA MET A 82 -2.313 0.107 -5.396 1.00 53.42 C ATOM 1293 C MET A 82 -2.495 -0.837 -6.583 1.00 14.02 C ATOM 1294 O MET A 82 -2.565 -2.048 -6.386 1.00 12.54 O ATOM 1295 CB MET A 82 -3.656 0.789 -5.074 1.00 64.54 C ATOM 1296 CG MET A 82 -3.647 1.684 -3.831 1.00 72.13 C ATOM 1297 SD MET A 82 -2.970 0.950 -2.320 1.00 74.12 S ATOM 1298 CE MET A 82 -4.206 -0.326 -1.989 1.00 0.04 C ATOM 0 H MET A 82 -1.562 2.042 -5.645 1.00 24.22 H new ATOM 0 HA MET A 82 -2.005 -0.452 -4.512 1.00 53.42 H new ATOM 0 HB2 MET A 82 -3.956 1.389 -5.933 1.00 64.54 H new ATOM 0 HB3 MET A 82 -4.415 0.018 -4.942 1.00 64.54 H new ATOM 0 HG2 MET A 82 -3.075 2.583 -4.061 1.00 72.13 H new ATOM 0 HG3 MET A 82 -4.671 2.000 -3.629 1.00 72.13 H new ATOM 0 HE1 MET A 82 -3.880 -0.939 -1.149 1.00 0.04 H new ATOM 0 HE2 MET A 82 -5.159 0.145 -1.746 1.00 0.04 H new ATOM 0 HE3 MET A 82 -4.326 -0.954 -2.872 1.00 0.04 H new ATOM 1308 N HIS A 83 -2.545 -0.302 -7.809 1.00 11.02 N ATOM 1309 CA HIS A 83 -2.767 -1.124 -8.990 1.00 44.05 C ATOM 1310 C HIS A 83 -1.647 -2.152 -9.166 1.00 75.44 C ATOM 1311 O HIS A 83 -1.942 -3.326 -9.372 1.00 13.12 O ATOM 1312 CB HIS A 83 -2.920 -0.250 -10.241 1.00 3.13 C ATOM 1313 CG HIS A 83 -3.500 -0.970 -11.439 1.00 24.41 C ATOM 1314 ND1 HIS A 83 -4.204 -2.145 -11.437 1.00 20.43 N flip ATOM 1315 CD2 HIS A 83 -3.418 -0.549 -12.745 1.00 55.00 C flip ATOM 1316 CE1 HIS A 83 -4.550 -2.444 -12.760 1.00 44.35 C flip ATOM 1317 NE2 HIS A 83 -4.047 -1.453 -13.511 1.00 25.23 N flip ATOM 0 H HIS A 83 -2.434 0.693 -8.002 1.00 11.02 H new ATOM 0 HA HIS A 83 -3.698 -1.673 -8.848 1.00 44.05 H new ATOM 0 HB2 HIS A 83 -3.558 0.600 -10.000 1.00 3.13 H new ATOM 0 HB3 HIS A 83 -1.943 0.151 -10.511 1.00 3.13 H new ATOM 0 HD2 HIS A 83 -2.933 0.351 -13.093 1.00 55.00 H new ATOM 0 HE1 HIS A 83 -5.109 -3.300 -13.106 1.00 44.35 H new ATOM 0 HE2 HIS A 83 -4.131 -1.395 -14.526 1.00 25.23 H new ATOM 1325 N PHE A 84 -0.382 -1.735 -9.038 1.00 4.23 N ATOM 1326 CA PHE A 84 0.798 -2.587 -9.206 1.00 21.22 C ATOM 1327 C PHE A 84 0.732 -3.869 -8.369 1.00 11.41 C ATOM 1328 O PHE A 84 1.216 -4.916 -8.808 1.00 24.32 O ATOM 1329 CB PHE A 84 2.058 -1.784 -8.872 1.00 23.12 C ATOM 1330 CG PHE A 84 3.295 -2.611 -8.563 1.00 33.51 C ATOM 1331 CD1 PHE A 84 4.106 -3.123 -9.593 1.00 3.12 C ATOM 1332 CD2 PHE A 84 3.632 -2.870 -7.222 1.00 52.15 C ATOM 1333 CE1 PHE A 84 5.257 -3.868 -9.274 1.00 13.23 C ATOM 1334 CE2 PHE A 84 4.774 -3.621 -6.904 1.00 23.42 C ATOM 1335 CZ PHE A 84 5.589 -4.118 -7.932 1.00 64.11 C ATOM 0 H PHE A 84 -0.146 -0.770 -8.809 1.00 4.23 H new ATOM 0 HA PHE A 84 0.828 -2.906 -10.248 1.00 21.22 H new ATOM 0 HB2 PHE A 84 2.282 -1.126 -9.711 1.00 23.12 H new ATOM 0 HB3 PHE A 84 1.845 -1.146 -8.015 1.00 23.12 H new ATOM 0 HD1 PHE A 84 3.846 -2.945 -10.626 1.00 3.12 H new ATOM 0 HD2 PHE A 84 3.006 -2.487 -6.430 1.00 52.15 H new ATOM 0 HE1 PHE A 84 5.887 -4.249 -10.064 1.00 13.23 H new ATOM 0 HE2 PHE A 84 5.025 -3.816 -5.872 1.00 23.42 H new ATOM 0 HZ PHE A 84 6.471 -4.693 -7.692 1.00 64.11 H new ATOM 1345 N ALA A 85 0.133 -3.794 -7.179 1.00 3.04 N ATOM 1346 CA ALA A 85 -0.123 -4.958 -6.355 1.00 50.41 C ATOM 1347 C ALA A 85 -0.979 -5.978 -7.105 1.00 42.53 C ATOM 1348 O ALA A 85 -0.556 -7.117 -7.312 1.00 32.14 O ATOM 1349 CB ALA A 85 -0.798 -4.522 -5.060 1.00 55.12 C ATOM 0 H ALA A 85 -0.186 -2.918 -6.766 1.00 3.04 H new ATOM 0 HA ALA A 85 0.824 -5.442 -6.115 1.00 50.41 H new ATOM 0 HB1 ALA A 85 -0.992 -5.396 -4.438 1.00 55.12 H new ATOM 0 HB2 ALA A 85 -0.146 -3.833 -4.524 1.00 55.12 H new ATOM 0 HB3 ALA A 85 -1.740 -4.025 -5.290 1.00 55.12 H new ATOM 1355 N THR A 86 -2.190 -5.586 -7.496 1.00 71.21 N ATOM 1356 CA THR A 86 -3.128 -6.469 -8.168 1.00 3.43 C ATOM 1357 C THR A 86 -2.578 -6.900 -9.535 1.00 43.31 C ATOM 1358 O THR A 86 -2.775 -8.051 -9.926 1.00 23.53 O ATOM 1359 CB THR A 86 -4.486 -5.767 -8.304 1.00 72.13 C ATOM 1360 OG1 THR A 86 -4.801 -4.956 -7.186 1.00 75.35 O ATOM 1361 CG2 THR A 86 -5.618 -6.787 -8.435 1.00 41.44 C ATOM 0 H THR A 86 -2.546 -4.641 -7.353 1.00 71.21 H new ATOM 0 HA THR A 86 -3.265 -7.372 -7.573 1.00 3.43 H new ATOM 0 HB THR A 86 -4.399 -5.146 -9.195 1.00 72.13 H new ATOM 0 HG1 THR A 86 -5.673 -4.532 -7.325 1.00 75.35 H new ATOM 0 HG21 THR A 86 -6.570 -6.264 -8.530 1.00 41.44 H new ATOM 0 HG22 THR A 86 -5.452 -7.403 -9.319 1.00 41.44 H new ATOM 0 HG23 THR A 86 -5.640 -7.422 -7.549 1.00 41.44 H new ATOM 1369 N GLU A 87 -1.823 -6.042 -10.235 1.00 74.40 N ATOM 1370 CA GLU A 87 -1.151 -6.317 -11.506 1.00 13.33 C ATOM 1371 C GLU A 87 -0.153 -7.478 -11.404 1.00 23.02 C ATOM 1372 O GLU A 87 0.265 -8.005 -12.438 1.00 24.31 O ATOM 1373 CB GLU A 87 -0.408 -5.047 -11.956 1.00 31.42 C ATOM 1374 CG GLU A 87 -1.287 -3.870 -12.398 1.00 4.34 C ATOM 1375 CD GLU A 87 -1.673 -3.935 -13.870 1.00 42.43 C ATOM 1376 OE1 GLU A 87 -2.516 -4.796 -14.216 1.00 42.42 O ATOM 1377 OE2 GLU A 87 -1.119 -3.153 -14.680 1.00 15.25 O ATOM 0 H GLU A 87 -1.658 -5.089 -9.910 1.00 74.40 H new ATOM 0 HA GLU A 87 -1.912 -6.607 -12.231 1.00 13.33 H new ATOM 0 HB2 GLU A 87 0.226 -4.712 -11.135 1.00 31.42 H new ATOM 0 HB3 GLU A 87 0.252 -5.311 -12.782 1.00 31.42 H new ATOM 0 HG2 GLU A 87 -2.192 -3.852 -11.791 1.00 4.34 H new ATOM 0 HG3 GLU A 87 -0.757 -2.937 -12.208 1.00 4.34 H new ATOM 1384 N ASN A 88 0.214 -7.884 -10.182 1.00 42.22 N ATOM 1385 CA ASN A 88 1.094 -9.010 -9.882 1.00 52.34 C ATOM 1386 C ASN A 88 0.469 -9.971 -8.879 1.00 2.20 C ATOM 1387 O ASN A 88 1.156 -10.831 -8.331 1.00 30.01 O ATOM 1388 CB ASN A 88 2.453 -8.498 -9.385 1.00 14.33 C ATOM 1389 CG ASN A 88 3.181 -7.783 -10.500 1.00 42.42 C ATOM 1390 OD1 ASN A 88 3.723 -8.422 -11.403 1.00 61.55 O ATOM 1391 ND2 ASN A 88 3.173 -6.460 -10.491 1.00 13.21 N ATOM 0 H ASN A 88 -0.112 -7.411 -9.339 1.00 42.22 H new ATOM 0 HA ASN A 88 1.245 -9.572 -10.804 1.00 52.34 H new ATOM 0 HB2 ASN A 88 2.309 -7.822 -8.543 1.00 14.33 H new ATOM 0 HB3 ASN A 88 3.055 -9.332 -9.025 1.00 14.33 H new ATOM 0 HD21 ASN A 88 3.624 -5.942 -11.245 1.00 13.21 H new ATOM 0 HD22 ASN A 88 2.716 -5.958 -9.730 1.00 13.21 H new ATOM 1398 N GLN A 89 -0.839 -9.842 -8.637 1.00 65.41 N ATOM 1399 CA GLN A 89 -1.607 -10.677 -7.727 1.00 33.43 C ATOM 1400 C GLN A 89 -0.981 -10.751 -6.324 1.00 11.11 C ATOM 1401 O GLN A 89 -1.100 -11.776 -5.646 1.00 41.04 O ATOM 1402 CB GLN A 89 -1.842 -12.058 -8.366 1.00 4.11 C ATOM 1403 CG GLN A 89 -2.592 -11.995 -9.710 1.00 11.03 C ATOM 1404 CD GLN A 89 -1.699 -11.823 -10.939 1.00 11.12 C ATOM 1405 OE1 GLN A 89 -0.862 -12.673 -11.241 1.00 63.22 O ATOM 1406 NE2 GLN A 89 -1.903 -10.764 -11.704 1.00 24.14 N ATOM 0 H GLN A 89 -1.407 -9.125 -9.089 1.00 65.41 H new ATOM 0 HA GLN A 89 -2.581 -10.215 -7.567 1.00 33.43 H new ATOM 0 HB2 GLN A 89 -0.880 -12.547 -8.519 1.00 4.11 H new ATOM 0 HB3 GLN A 89 -2.408 -12.679 -7.672 1.00 4.11 H new ATOM 0 HG2 GLN A 89 -3.174 -12.909 -9.827 1.00 11.03 H new ATOM 0 HG3 GLN A 89 -3.301 -11.168 -9.675 1.00 11.03 H new ATOM 0 HE21 GLN A 89 -2.601 -10.070 -11.438 1.00 24.14 H new ATOM 0 HE22 GLN A 89 -1.362 -10.642 -12.560 1.00 24.14 H new ATOM 1415 N LEU A 90 -0.301 -9.682 -5.894 1.00 13.41 N ATOM 1416 CA LEU A 90 0.260 -9.546 -4.553 1.00 72.44 C ATOM 1417 C LEU A 90 -0.895 -9.419 -3.567 1.00 75.21 C ATOM 1418 O LEU A 90 -1.846 -8.675 -3.826 1.00 52.30 O ATOM 1419 CB LEU A 90 1.169 -8.306 -4.451 1.00 4.52 C ATOM 1420 CG LEU A 90 2.460 -8.374 -5.282 1.00 32.52 C ATOM 1421 CD1 LEU A 90 3.295 -7.098 -5.114 1.00 43.42 C ATOM 1422 CD2 LEU A 90 3.328 -9.565 -4.872 1.00 14.31 C ATOM 0 H LEU A 90 -0.124 -8.871 -6.486 1.00 13.41 H new ATOM 0 HA LEU A 90 0.868 -10.422 -4.327 1.00 72.44 H new ATOM 0 HB2 LEU A 90 0.600 -7.431 -4.764 1.00 4.52 H new ATOM 0 HB3 LEU A 90 1.436 -8.156 -3.405 1.00 4.52 H new ATOM 0 HG LEU A 90 2.152 -8.484 -6.322 1.00 32.52 H new ATOM 0 HD11 LEU A 90 4.202 -7.175 -5.714 1.00 43.42 H new ATOM 0 HD12 LEU A 90 2.714 -6.237 -5.444 1.00 43.42 H new ATOM 0 HD13 LEU A 90 3.563 -6.974 -4.065 1.00 43.42 H new ATOM 0 HD21 LEU A 90 4.233 -9.582 -5.480 1.00 14.31 H new ATOM 0 HD22 LEU A 90 3.599 -9.473 -3.820 1.00 14.31 H new ATOM 0 HD23 LEU A 90 2.771 -10.490 -5.023 1.00 14.31 H new ATOM 1434 N ASN A 91 -0.815 -10.109 -2.429 1.00 53.12 N ATOM 1435 CA ASN A 91 -1.836 -10.072 -1.383 1.00 75.35 C ATOM 1436 C ASN A 91 -1.846 -8.672 -0.778 1.00 63.52 C ATOM 1437 O ASN A 91 -0.824 -8.271 -0.218 1.00 51.04 O ATOM 1438 CB ASN A 91 -1.559 -11.155 -0.320 1.00 13.21 C ATOM 1439 CG ASN A 91 -2.841 -11.678 0.338 1.00 65.43 C ATOM 1440 OD1 ASN A 91 -3.953 -11.554 -0.182 1.00 41.13 O ATOM 1441 ND2 ASN A 91 -2.705 -12.351 1.466 1.00 1.13 N ATOM 0 H ASN A 91 -0.028 -10.718 -2.205 1.00 53.12 H new ATOM 0 HA ASN A 91 -2.819 -10.287 -1.801 1.00 75.35 H new ATOM 0 HB2 ASN A 91 -1.028 -11.986 -0.784 1.00 13.21 H new ATOM 0 HB3 ASN A 91 -0.902 -10.746 0.448 1.00 13.21 H new ATOM 0 HD21 ASN A 91 -3.521 -12.771 1.911 1.00 1.13 H new ATOM 0 HD22 ASN A 91 -1.784 -12.451 1.892 1.00 1.13 H new ATOM 1448 N ILE A 92 -2.878 -7.851 -1.000 1.00 22.42 N ATOM 1449 CA ILE A 92 -2.916 -6.506 -0.421 1.00 32.21 C ATOM 1450 C ILE A 92 -3.338 -6.702 1.020 1.00 32.20 C ATOM 1451 O ILE A 92 -4.452 -7.154 1.292 1.00 2.23 O ATOM 1452 CB ILE A 92 -3.844 -5.518 -1.165 1.00 71.42 C ATOM 1453 CG1 ILE A 92 -3.398 -5.352 -2.633 1.00 33.20 C ATOM 1454 CG2 ILE A 92 -3.835 -4.149 -0.443 1.00 4.30 C ATOM 1455 CD1 ILE A 92 -4.304 -4.424 -3.447 1.00 3.04 C ATOM 0 H ILE A 92 -3.689 -8.091 -1.570 1.00 22.42 H new ATOM 0 HA ILE A 92 -1.936 -6.036 -0.507 1.00 32.21 H new ATOM 0 HB ILE A 92 -4.858 -5.918 -1.161 1.00 71.42 H new ATOM 0 HG12 ILE A 92 -2.380 -4.962 -2.653 1.00 33.20 H new ATOM 0 HG13 ILE A 92 -3.373 -6.332 -3.110 1.00 33.20 H new ATOM 0 HG21 ILE A 92 -4.490 -3.455 -0.970 1.00 4.30 H new ATOM 0 HG22 ILE A 92 -4.188 -4.275 0.580 1.00 4.30 H new ATOM 0 HG23 ILE A 92 -2.820 -3.751 -0.430 1.00 4.30 H new ATOM 0 HD11 ILE A 92 -3.930 -4.355 -4.468 1.00 3.04 H new ATOM 0 HD12 ILE A 92 -5.318 -4.824 -3.458 1.00 3.04 H new ATOM 0 HD13 ILE A 92 -4.310 -3.432 -2.995 1.00 3.04 H new ATOM 1467 N LEU A 93 -2.426 -6.391 1.932 1.00 51.24 N ATOM 1468 CA LEU A 93 -2.727 -6.326 3.340 1.00 0.01 C ATOM 1469 C LEU A 93 -2.769 -4.870 3.755 1.00 54.23 C ATOM 1470 O LEU A 93 -2.162 -3.995 3.130 1.00 65.45 O ATOM 1471 CB LEU A 93 -1.690 -7.104 4.150 1.00 1.01 C ATOM 1472 CG LEU A 93 -2.087 -8.559 4.435 1.00 12.24 C ATOM 1473 CD1 LEU A 93 -2.451 -9.408 3.224 1.00 64.22 C ATOM 1474 CD2 LEU A 93 -0.943 -9.261 5.150 1.00 72.42 C ATOM 0 H LEU A 93 -1.455 -6.177 1.706 1.00 51.24 H new ATOM 0 HA LEU A 93 -3.696 -6.785 3.535 1.00 0.01 H new ATOM 0 HB2 LEU A 93 -0.742 -7.095 3.612 1.00 1.01 H new ATOM 0 HB3 LEU A 93 -1.524 -6.591 5.097 1.00 1.01 H new ATOM 0 HG LEU A 93 -2.993 -8.476 5.035 1.00 12.24 H new ATOM 0 HD11 LEU A 93 -2.713 -10.414 3.551 1.00 64.22 H new ATOM 0 HD12 LEU A 93 -3.301 -8.961 2.708 1.00 64.22 H new ATOM 0 HD13 LEU A 93 -1.600 -9.457 2.545 1.00 64.22 H new ATOM 0 HD21 LEU A 93 -1.221 -10.295 5.354 1.00 72.42 H new ATOM 0 HD22 LEU A 93 -0.054 -9.242 4.520 1.00 72.42 H new ATOM 0 HD23 LEU A 93 -0.733 -8.750 6.089 1.00 72.42 H new ATOM 1486 N ASP A 94 -3.496 -4.636 4.834 1.00 72.30 N ATOM 1487 CA ASP A 94 -3.639 -3.334 5.457 1.00 40.55 C ATOM 1488 C ASP A 94 -2.585 -3.159 6.544 1.00 1.50 C ATOM 1489 O ASP A 94 -1.735 -4.027 6.779 1.00 23.41 O ATOM 1490 CB ASP A 94 -5.051 -3.198 6.044 1.00 22.24 C ATOM 1491 CG ASP A 94 -5.584 -1.770 6.035 1.00 3.10 C ATOM 1492 OD1 ASP A 94 -4.806 -0.837 5.762 1.00 61.42 O ATOM 1493 OD2 ASP A 94 -6.800 -1.591 6.266 1.00 25.14 O ATOM 0 H ASP A 94 -4.018 -5.369 5.314 1.00 72.30 H new ATOM 0 HA ASP A 94 -3.493 -2.554 4.709 1.00 40.55 H new ATOM 0 HB2 ASP A 94 -5.732 -3.834 5.479 1.00 22.24 H new ATOM 0 HB3 ASP A 94 -5.046 -3.568 7.069 1.00 22.24 H new ATOM 1498 N ALA A 95 -2.709 -2.060 7.274 1.00 21.14 N ATOM 1499 CA ALA A 95 -1.873 -1.746 8.429 1.00 3.11 C ATOM 1500 C ALA A 95 -1.911 -2.859 9.482 1.00 33.24 C ATOM 1501 O ALA A 95 -0.903 -3.110 10.142 1.00 23.31 O ATOM 1502 CB ALA A 95 -2.316 -0.432 9.068 1.00 30.13 C ATOM 0 H ALA A 95 -3.409 -1.344 7.077 1.00 21.14 H new ATOM 0 HA ALA A 95 -0.849 -1.653 8.066 1.00 3.11 H new ATOM 0 HB1 ALA A 95 -1.682 -0.213 9.927 1.00 30.13 H new ATOM 0 HB2 ALA A 95 -2.230 0.374 8.339 1.00 30.13 H new ATOM 0 HB3 ALA A 95 -3.353 -0.517 9.394 1.00 30.13 H new ATOM 1508 N GLU A 96 -3.062 -3.524 9.635 1.00 3.41 N ATOM 1509 CA GLU A 96 -3.275 -4.627 10.573 1.00 45.12 C ATOM 1510 C GLU A 96 -2.841 -5.988 10.022 1.00 0.22 C ATOM 1511 O GLU A 96 -2.953 -6.999 10.718 1.00 50.31 O ATOM 1512 CB GLU A 96 -4.768 -4.719 10.892 1.00 31.33 C ATOM 1513 CG GLU A 96 -5.262 -3.580 11.785 1.00 62.34 C ATOM 1514 CD GLU A 96 -6.580 -3.972 12.463 1.00 73.31 C ATOM 1515 OE1 GLU A 96 -7.649 -3.903 11.817 1.00 63.43 O ATOM 1516 OE2 GLU A 96 -6.534 -4.344 13.657 1.00 2.03 O ATOM 0 H GLU A 96 -3.896 -3.301 9.091 1.00 3.41 H new ATOM 0 HA GLU A 96 -2.668 -4.410 11.452 1.00 45.12 H new ATOM 0 HB2 GLU A 96 -5.334 -4.714 9.960 1.00 31.33 H new ATOM 0 HB3 GLU A 96 -4.971 -5.671 11.382 1.00 31.33 H new ATOM 0 HG2 GLU A 96 -4.511 -3.348 12.540 1.00 62.34 H new ATOM 0 HG3 GLU A 96 -5.405 -2.678 11.190 1.00 62.34 H new ATOM 1523 N GLY A 97 -2.436 -6.052 8.753 1.00 4.14 N ATOM 1524 CA GLY A 97 -2.191 -7.331 8.115 1.00 71.53 C ATOM 1525 C GLY A 97 -3.482 -8.061 7.749 1.00 31.33 C ATOM 1526 O GLY A 97 -3.432 -9.244 7.417 1.00 41.10 O ATOM 0 H GLY A 97 -2.274 -5.239 8.158 1.00 4.14 H new ATOM 0 HA2 GLY A 97 -1.598 -7.176 7.214 1.00 71.53 H new ATOM 0 HA3 GLY A 97 -1.600 -7.958 8.782 1.00 71.53 H new ATOM 1530 N ASN A 98 -4.625 -7.369 7.794 1.00 53.14 N ATOM 1531 CA ASN A 98 -5.889 -7.861 7.263 1.00 15.00 C ATOM 1532 C ASN A 98 -5.751 -7.815 5.755 1.00 20.34 C ATOM 1533 O ASN A 98 -5.336 -6.788 5.221 1.00 23.35 O ATOM 1534 CB ASN A 98 -7.091 -6.971 7.641 1.00 53.11 C ATOM 1535 CG ASN A 98 -7.222 -6.639 9.123 1.00 55.24 C ATOM 1536 OD1 ASN A 98 -6.957 -7.473 9.983 1.00 2.52 O ATOM 1537 ND2 ASN A 98 -7.688 -5.441 9.436 1.00 44.13 N ATOM 0 H ASN A 98 -4.693 -6.439 8.207 1.00 53.14 H new ATOM 0 HA ASN A 98 -6.078 -8.855 7.669 1.00 15.00 H new ATOM 0 HB2 ASN A 98 -7.019 -6.038 7.083 1.00 53.11 H new ATOM 0 HB3 ASN A 98 -8.005 -7.468 7.316 1.00 53.11 H new ATOM 0 HD21 ASN A 98 -7.836 -5.191 10.414 1.00 44.13 H new ATOM 0 HD22 ASN A 98 -7.900 -4.768 8.700 1.00 44.13 H new ATOM 1544 N SER A 99 -6.053 -8.899 5.060 1.00 20.13 N ATOM 1545 CA SER A 99 -6.117 -8.928 3.612 1.00 65.41 C ATOM 1546 C SER A 99 -7.364 -8.178 3.137 1.00 0.31 C ATOM 1547 O SER A 99 -8.493 -8.565 3.454 1.00 52.11 O ATOM 1548 CB SER A 99 -6.049 -10.380 3.121 1.00 72.14 C ATOM 1549 OG SER A 99 -6.488 -11.333 4.084 1.00 31.22 O ATOM 0 H SER A 99 -6.264 -9.797 5.495 1.00 20.13 H new ATOM 0 HA SER A 99 -5.260 -8.413 3.177 1.00 65.41 H new ATOM 0 HB2 SER A 99 -6.658 -10.479 2.222 1.00 72.14 H new ATOM 0 HB3 SER A 99 -5.022 -10.610 2.838 1.00 72.14 H new ATOM 0 HG SER A 99 -6.420 -12.235 3.706 1.00 31.22 H new ATOM 1555 N ILE A 100 -7.176 -7.091 2.389 1.00 63.40 N ATOM 1556 CA ILE A 100 -8.230 -6.193 1.931 1.00 74.02 C ATOM 1557 C ILE A 100 -8.116 -5.971 0.427 1.00 0.10 C ATOM 1558 O ILE A 100 -7.130 -6.352 -0.203 1.00 2.54 O ATOM 1559 CB ILE A 100 -8.220 -4.861 2.715 1.00 4.41 C ATOM 1560 CG1 ILE A 100 -6.843 -4.160 2.663 1.00 34.14 C ATOM 1561 CG2 ILE A 100 -8.676 -5.094 4.167 1.00 40.23 C ATOM 1562 CD1 ILE A 100 -6.962 -2.655 2.913 1.00 23.03 C ATOM 0 H ILE A 100 -6.249 -6.803 2.075 1.00 63.40 H new ATOM 0 HA ILE A 100 -9.194 -6.662 2.129 1.00 74.02 H new ATOM 0 HB ILE A 100 -8.927 -4.188 2.231 1.00 4.41 H new ATOM 0 HG12 ILE A 100 -6.182 -4.601 3.409 1.00 34.14 H new ATOM 0 HG13 ILE A 100 -6.384 -4.332 1.689 1.00 34.14 H new ATOM 0 HG21 ILE A 100 -8.664 -4.148 4.708 1.00 40.23 H new ATOM 0 HG22 ILE A 100 -9.687 -5.501 4.170 1.00 40.23 H new ATOM 0 HG23 ILE A 100 -8.000 -5.798 4.652 1.00 40.23 H new ATOM 0 HD11 ILE A 100 -5.973 -2.199 2.868 1.00 23.03 H new ATOM 0 HD12 ILE A 100 -7.602 -2.209 2.151 1.00 23.03 H new ATOM 0 HD13 ILE A 100 -7.396 -2.483 3.898 1.00 23.03 H new ATOM 1574 N ASP A 101 -9.141 -5.359 -0.161 1.00 33.00 N ATOM 1575 CA ASP A 101 -9.074 -4.842 -1.518 1.00 63.34 C ATOM 1576 C ASP A 101 -8.474 -3.447 -1.490 1.00 33.50 C ATOM 1577 O ASP A 101 -8.645 -2.702 -0.528 1.00 65.41 O ATOM 1578 CB ASP A 101 -10.473 -4.719 -2.115 1.00 55.54 C ATOM 1579 CG ASP A 101 -10.945 -6.016 -2.769 1.00 13.12 C ATOM 1580 OD1 ASP A 101 -10.333 -6.429 -3.782 1.00 30.25 O ATOM 1581 OD2 ASP A 101 -11.949 -6.608 -2.321 1.00 24.14 O ATOM 0 H ASP A 101 -10.041 -5.209 0.294 1.00 33.00 H new ATOM 0 HA ASP A 101 -8.470 -5.526 -2.114 1.00 63.34 H new ATOM 0 HB2 ASP A 101 -11.175 -4.434 -1.332 1.00 55.54 H new ATOM 0 HB3 ASP A 101 -10.480 -3.919 -2.855 1.00 55.54 H new ATOM 1586 N ALA A 102 -7.918 -3.046 -2.629 1.00 5.04 N ATOM 1587 CA ALA A 102 -7.486 -1.673 -2.895 1.00 60.14 C ATOM 1588 C ALA A 102 -8.677 -0.710 -2.890 1.00 70.44 C ATOM 1589 O ALA A 102 -8.553 0.466 -2.549 1.00 55.54 O ATOM 1590 CB ALA A 102 -6.801 -1.613 -4.265 1.00 21.04 C ATOM 0 H ALA A 102 -7.750 -3.678 -3.412 1.00 5.04 H new ATOM 0 HA ALA A 102 -6.792 -1.374 -2.109 1.00 60.14 H new ATOM 0 HB1 ALA A 102 -6.478 -0.591 -4.466 1.00 21.04 H new ATOM 0 HB2 ALA A 102 -5.935 -2.275 -4.268 1.00 21.04 H new ATOM 0 HB3 ALA A 102 -7.502 -1.930 -5.037 1.00 21.04 H new ATOM 1596 N ALA A 103 -9.842 -1.242 -3.257 1.00 32.22 N ATOM 1597 CA ALA A 103 -11.121 -0.567 -3.319 1.00 41.04 C ATOM 1598 C ALA A 103 -11.589 -0.007 -1.979 1.00 40.41 C ATOM 1599 O ALA A 103 -12.478 0.843 -1.955 1.00 31.00 O ATOM 1600 CB ALA A 103 -12.139 -1.582 -3.825 1.00 4.24 C ATOM 0 H ALA A 103 -9.913 -2.221 -3.536 1.00 32.22 H new ATOM 0 HA ALA A 103 -11.019 0.293 -3.981 1.00 41.04 H new ATOM 0 HB1 ALA A 103 -13.121 -1.113 -3.887 1.00 4.24 H new ATOM 0 HB2 ALA A 103 -11.842 -1.934 -4.813 1.00 4.24 H new ATOM 0 HB3 ALA A 103 -12.183 -2.427 -3.137 1.00 4.24 H new ATOM 1606 N GLN A 104 -11.011 -0.469 -0.873 1.00 33.31 N ATOM 1607 CA GLN A 104 -11.353 -0.001 0.458 1.00 32.21 C ATOM 1608 C GLN A 104 -10.439 1.146 0.908 1.00 20.15 C ATOM 1609 O GLN A 104 -10.658 1.706 1.980 1.00 52.20 O ATOM 1610 CB GLN A 104 -11.334 -1.213 1.402 1.00 60.15 C ATOM 1611 CG GLN A 104 -12.459 -2.196 1.030 1.00 50.33 C ATOM 1612 CD GLN A 104 -13.019 -2.942 2.231 1.00 4.14 C ATOM 1613 OE1 GLN A 104 -14.195 -2.803 2.563 1.00 13.41 O ATOM 1614 NE2 GLN A 104 -12.204 -3.743 2.896 1.00 22.24 N ATOM 0 H GLN A 104 -10.285 -1.186 -0.881 1.00 33.31 H new ATOM 0 HA GLN A 104 -12.354 0.430 0.469 1.00 32.21 H new ATOM 0 HB2 GLN A 104 -10.368 -1.715 1.342 1.00 60.15 H new ATOM 0 HB3 GLN A 104 -11.457 -0.882 2.433 1.00 60.15 H new ATOM 0 HG2 GLN A 104 -13.265 -1.649 0.541 1.00 50.33 H new ATOM 0 HG3 GLN A 104 -12.079 -2.917 0.306 1.00 50.33 H new ATOM 0 HE21 GLN A 104 -11.233 -3.841 2.601 1.00 22.24 H new ATOM 0 HE22 GLN A 104 -12.547 -4.263 3.704 1.00 22.24 H new ATOM 1623 N VAL A 105 -9.449 1.524 0.095 1.00 55.40 N ATOM 1624 CA VAL A 105 -8.339 2.384 0.492 1.00 14.33 C ATOM 1625 C VAL A 105 -8.416 3.724 -0.235 1.00 34.20 C ATOM 1626 O VAL A 105 -8.170 4.771 0.353 1.00 44.32 O ATOM 1627 CB VAL A 105 -7.006 1.675 0.176 1.00 60.03 C ATOM 1628 CG1 VAL A 105 -5.814 2.407 0.794 1.00 13.20 C ATOM 1629 CG2 VAL A 105 -6.946 0.226 0.668 1.00 62.54 C ATOM 0 H VAL A 105 -9.399 1.231 -0.881 1.00 55.40 H new ATOM 0 HA VAL A 105 -8.399 2.576 1.563 1.00 14.33 H new ATOM 0 HB VAL A 105 -6.953 1.684 -0.913 1.00 60.03 H new ATOM 0 HG11 VAL A 105 -4.894 1.876 0.549 1.00 13.20 H new ATOM 0 HG12 VAL A 105 -5.765 3.421 0.398 1.00 13.20 H new ATOM 0 HG13 VAL A 105 -5.933 2.446 1.877 1.00 13.20 H new ATOM 0 HG21 VAL A 105 -5.979 -0.206 0.410 1.00 62.54 H new ATOM 0 HG22 VAL A 105 -7.076 0.203 1.750 1.00 62.54 H new ATOM 0 HG23 VAL A 105 -7.740 -0.352 0.195 1.00 62.54 H new ATOM 1639 N THR A 106 -8.757 3.736 -1.520 1.00 42.33 N ATOM 1640 CA THR A 106 -8.710 4.956 -2.320 1.00 13.22 C ATOM 1641 C THR A 106 -9.938 5.849 -2.076 1.00 34.24 C ATOM 1642 O THR A 106 -10.094 6.872 -2.738 1.00 71.23 O ATOM 1643 CB THR A 106 -8.505 4.599 -3.802 1.00 72.41 C ATOM 1644 OG1 THR A 106 -9.520 3.752 -4.301 1.00 64.32 O ATOM 1645 CG2 THR A 106 -7.145 3.925 -4.032 1.00 10.43 C ATOM 0 H THR A 106 -9.070 2.911 -2.032 1.00 42.33 H new ATOM 0 HA THR A 106 -7.855 5.554 -2.005 1.00 13.22 H new ATOM 0 HB THR A 106 -8.545 5.545 -4.342 1.00 72.41 H new ATOM 0 HG1 THR A 106 -9.347 3.555 -5.245 1.00 64.32 H new ATOM 0 HG21 THR A 106 -7.032 3.686 -5.089 1.00 10.43 H new ATOM 0 HG22 THR A 106 -6.347 4.602 -3.726 1.00 10.43 H new ATOM 0 HG23 THR A 106 -7.089 3.009 -3.445 1.00 10.43 H new ATOM 1653 N GLU A 107 -10.826 5.454 -1.164 1.00 22.42 N ATOM 1654 CA GLU A 107 -12.216 5.886 -1.081 1.00 14.13 C ATOM 1655 C GLU A 107 -12.569 6.411 0.315 1.00 55.45 C ATOM 1656 O GLU A 107 -13.742 6.681 0.593 1.00 62.23 O ATOM 1657 CB GLU A 107 -13.088 4.677 -1.459 1.00 54.03 C ATOM 1658 CG GLU A 107 -13.043 4.348 -2.960 1.00 20.14 C ATOM 1659 CD GLU A 107 -13.853 5.354 -3.774 1.00 22.01 C ATOM 1660 OE1 GLU A 107 -13.384 6.485 -4.037 1.00 0.01 O ATOM 1661 OE2 GLU A 107 -15.004 5.013 -4.129 1.00 11.24 O ATOM 0 H GLU A 107 -10.581 4.792 -0.428 1.00 22.42 H new ATOM 0 HA GLU A 107 -12.391 6.717 -1.764 1.00 14.13 H new ATOM 0 HB2 GLU A 107 -12.758 3.807 -0.892 1.00 54.03 H new ATOM 0 HB3 GLU A 107 -14.119 4.875 -1.167 1.00 54.03 H new ATOM 0 HG2 GLU A 107 -12.009 4.348 -3.303 1.00 20.14 H new ATOM 0 HG3 GLU A 107 -13.434 3.344 -3.126 1.00 20.14 H new ATOM 1668 N ILE A 108 -11.560 6.545 1.190 1.00 22.14 N ATOM 1669 CA ILE A 108 -11.730 7.048 2.558 1.00 11.11 C ATOM 1670 C ILE A 108 -12.495 8.373 2.537 1.00 4.11 C ATOM 1671 O ILE A 108 -13.567 8.435 3.181 1.00 52.12 O ATOM 1672 CB ILE A 108 -10.376 7.111 3.296 1.00 64.31 C ATOM 1673 CG1 ILE A 108 -9.701 5.719 3.365 1.00 14.01 C ATOM 1674 CG2 ILE A 108 -10.532 7.666 4.722 1.00 50.32 C ATOM 1675 CD1 ILE A 108 -10.550 4.531 3.852 1.00 51.34 C ATOM 0 H ILE A 108 -10.595 6.304 0.963 1.00 22.14 H new ATOM 0 HA ILE A 108 -12.339 6.352 3.135 1.00 11.11 H new ATOM 0 HB ILE A 108 -9.743 7.786 2.720 1.00 64.31 H new ATOM 0 HG12 ILE A 108 -9.329 5.478 2.369 1.00 14.01 H new ATOM 0 HG13 ILE A 108 -8.833 5.800 4.019 1.00 14.01 H new ATOM 0 HG21 ILE A 108 -9.558 7.695 5.210 1.00 50.32 H new ATOM 0 HG22 ILE A 108 -10.946 8.673 4.677 1.00 50.32 H new ATOM 0 HG23 ILE A 108 -11.203 7.023 5.291 1.00 50.32 H new ATOM 0 HD11 ILE A 108 -9.944 3.625 3.847 1.00 51.34 H new ATOM 0 HD12 ILE A 108 -10.902 4.726 4.865 1.00 51.34 H new ATOM 0 HD13 ILE A 108 -11.405 4.399 3.189 1.00 51.34 H new TER 1687 ILE A 108