USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 160:sc= -0.825 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 26 SER OG : rot 160:sc= -0.0769 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.751 X(o=-3.5,f=-3.1!) USER MOD Set 3.2: A 42 ASN : amide:sc= -2.77 K(o=-3.5,f=-4.1!) USER MOD Single : A 1 LYS N :NH3+ -168:sc= -1.16 (180deg=-1.64!) USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.311) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 110:sc= 0.576 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0693 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0524 USER MOD Single : A 22 TYR OH : rot 114:sc= -0.317! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.72! C(o=-2.7!,f=-1.4!) USER MOD Single : A 41 SER OG : rot -50:sc= 0.0235 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 46 THR OG1 : rot -139:sc= -1.26 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.102 -2.494 -1.003 1.00 73.21 N ATOM 2 CA LYS A 1 0.830 -2.175 -2.078 1.00 10.33 C ATOM 3 C LYS A 1 0.107 -2.093 -3.419 1.00 24.44 C ATOM 4 O LYS A 1 0.536 -2.694 -4.404 1.00 42.23 O ATOM 5 CB LYS A 1 1.940 -3.226 -2.147 1.00 72.14 C ATOM 6 CG LYS A 1 2.324 -3.796 -0.793 1.00 13.13 C ATOM 7 CD LYS A 1 1.602 -5.104 -0.513 1.00 41.40 C ATOM 8 CE LYS A 1 1.197 -5.215 0.949 1.00 50.02 C ATOM 9 NZ LYS A 1 -0.248 -4.914 1.148 1.00 22.44 N ATOM 0 H1 LYS A 1 0.363 -2.346 -0.085 1.00 73.21 H new ATOM 0 H2 LYS A 1 -0.936 -1.877 -1.072 1.00 73.21 H new ATOM 0 H3 LYS A 1 -0.399 -3.487 -1.084 1.00 73.21 H new ATOM 0 HA LYS A 1 1.273 -1.202 -1.865 1.00 10.33 H new ATOM 0 HB2 LYS A 1 1.618 -4.040 -2.796 1.00 72.14 H new ATOM 0 HB3 LYS A 1 2.822 -2.781 -2.608 1.00 72.14 H new ATOM 0 HG2 LYS A 1 3.401 -3.959 -0.758 1.00 13.13 H new ATOM 0 HG3 LYS A 1 2.086 -3.074 -0.012 1.00 13.13 H new ATOM 0 HD2 LYS A 1 0.716 -5.174 -1.144 1.00 41.40 H new ATOM 0 HD3 LYS A 1 2.248 -5.941 -0.777 1.00 41.40 H new ATOM 0 HE2 LYS A 1 1.412 -6.221 1.310 1.00 50.02 H new ATOM 0 HE3 LYS A 1 1.797 -4.527 1.545 1.00 50.02 H new ATOM 0 HZ1 LYS A 1 -0.552 -5.270 2.076 1.00 22.44 H new ATOM 0 HZ2 LYS A 1 -0.397 -3.886 1.106 1.00 22.44 H new ATOM 0 HZ3 LYS A 1 -0.805 -5.375 0.401 1.00 22.44 H new ATOM 23 N LYS A 2 -0.991 -1.346 -3.449 1.00 44.14 N ATOM 24 CA LYS A 2 -1.772 -1.183 -4.670 1.00 1.03 C ATOM 25 C LYS A 2 -1.037 -0.299 -5.672 1.00 53.51 C ATOM 26 O LYS A 2 -1.448 -0.176 -6.826 1.00 74.22 O ATOM 27 CB LYS A 2 -3.140 -0.578 -4.347 1.00 32.32 C ATOM 28 CG LYS A 2 -4.118 -0.632 -5.508 1.00 33.54 C ATOM 29 CD LYS A 2 -4.610 0.754 -5.888 1.00 10.14 C ATOM 30 CE LYS A 2 -5.959 1.060 -5.256 1.00 34.43 C ATOM 31 NZ LYS A 2 -6.985 1.406 -6.278 1.00 71.32 N ATOM 0 H LYS A 2 -1.361 -0.844 -2.642 1.00 44.14 H new ATOM 0 HA LYS A 2 -1.913 -2.168 -5.116 1.00 1.03 H new ATOM 0 HB2 LYS A 2 -3.570 -1.106 -3.496 1.00 32.32 H new ATOM 0 HB3 LYS A 2 -3.006 0.460 -4.043 1.00 32.32 H new ATOM 0 HG2 LYS A 2 -3.637 -1.097 -6.369 1.00 33.54 H new ATOM 0 HG3 LYS A 2 -4.968 -1.260 -5.240 1.00 33.54 H new ATOM 0 HD2 LYS A 2 -3.881 1.500 -5.571 1.00 10.14 H new ATOM 0 HD3 LYS A 2 -4.690 0.828 -6.973 1.00 10.14 H new ATOM 0 HE2 LYS A 2 -6.295 0.197 -4.682 1.00 34.43 H new ATOM 0 HE3 LYS A 2 -5.852 1.887 -4.554 1.00 34.43 H new ATOM 0 HZ1 LYS A 2 -7.890 1.608 -5.807 1.00 71.32 H new ATOM 0 HZ2 LYS A 2 -6.677 2.245 -6.809 1.00 71.32 H new ATOM 0 HZ3 LYS A 2 -7.106 0.607 -6.933 1.00 71.32 H new ATOM 45 N LYS A 3 0.053 0.316 -5.225 1.00 33.33 N ATOM 46 CA LYS A 3 0.847 1.187 -6.083 1.00 21.15 C ATOM 47 C LYS A 3 1.598 0.377 -7.134 1.00 63.13 C ATOM 48 O LYS A 3 2.180 0.936 -8.065 1.00 32.13 O ATOM 49 CB LYS A 3 1.838 1.997 -5.244 1.00 22.03 C ATOM 50 CG LYS A 3 1.195 3.142 -4.480 1.00 44.15 C ATOM 51 CD LYS A 3 1.867 4.468 -4.794 1.00 45.24 C ATOM 52 CE LYS A 3 1.146 5.630 -4.129 1.00 12.10 C ATOM 53 NZ LYS A 3 1.818 6.930 -4.402 1.00 41.45 N ATOM 0 H LYS A 3 0.407 0.227 -4.272 1.00 33.33 H new ATOM 0 HA LYS A 3 0.168 1.870 -6.593 1.00 21.15 H new ATOM 0 HB2 LYS A 3 2.331 1.331 -4.536 1.00 22.03 H new ATOM 0 HB3 LYS A 3 2.613 2.397 -5.898 1.00 22.03 H new ATOM 0 HG2 LYS A 3 0.136 3.201 -4.733 1.00 44.15 H new ATOM 0 HG3 LYS A 3 1.256 2.946 -3.409 1.00 44.15 H new ATOM 0 HD2 LYS A 3 2.903 4.441 -4.457 1.00 45.24 H new ATOM 0 HD3 LYS A 3 1.887 4.620 -5.873 1.00 45.24 H new ATOM 0 HE2 LYS A 3 0.117 5.671 -4.486 1.00 12.10 H new ATOM 0 HE3 LYS A 3 1.103 5.463 -3.053 1.00 12.10 H new ATOM 0 HZ1 LYS A 3 1.296 7.696 -3.931 1.00 41.45 H new ATOM 0 HZ2 LYS A 3 2.792 6.900 -4.038 1.00 41.45 H new ATOM 0 HZ3 LYS A 3 1.836 7.103 -5.427 1.00 41.45 H new ATOM 67 N CYS A 4 1.581 -0.943 -6.982 1.00 30.03 N ATOM 68 CA CYS A 4 2.259 -1.831 -7.918 1.00 43.44 C ATOM 69 C CYS A 4 1.328 -2.232 -9.059 1.00 21.23 C ATOM 70 O CYS A 4 1.758 -2.839 -10.039 1.00 42.54 O ATOM 71 CB CYS A 4 2.765 -3.080 -7.194 1.00 42.14 C ATOM 72 SG CYS A 4 3.859 -4.131 -8.202 1.00 63.43 S ATOM 0 H CYS A 4 1.104 -1.422 -6.218 1.00 30.03 H new ATOM 0 HA CYS A 4 3.109 -1.294 -8.338 1.00 43.44 H new ATOM 0 HB2 CYS A 4 3.300 -2.774 -6.295 1.00 42.14 H new ATOM 0 HB3 CYS A 4 1.909 -3.671 -6.870 1.00 42.14 H new ATOM 77 N GLN A 5 0.051 -1.889 -8.921 1.00 64.33 N ATOM 78 CA GLN A 5 -0.940 -2.214 -9.940 1.00 33.53 C ATOM 79 C GLN A 5 -1.661 -0.958 -10.419 1.00 22.54 C ATOM 80 O GLN A 5 -2.817 -0.720 -10.066 1.00 23.33 O ATOM 81 CB GLN A 5 -1.954 -3.221 -9.392 1.00 2.43 C ATOM 82 CG GLN A 5 -2.212 -3.073 -7.901 1.00 75.20 C ATOM 83 CD GLN A 5 -3.296 -4.008 -7.402 1.00 14.05 C ATOM 84 OE1 GLN A 5 -4.465 -3.871 -7.763 1.00 74.11 O ATOM 85 NE2 GLN A 5 -2.913 -4.966 -6.565 1.00 53.24 N ATOM 0 H GLN A 5 -0.321 -1.387 -8.115 1.00 64.33 H new ATOM 0 HA GLN A 5 -0.420 -2.658 -10.789 1.00 33.53 H new ATOM 0 HB2 GLN A 5 -2.896 -3.105 -9.929 1.00 2.43 H new ATOM 0 HB3 GLN A 5 -1.596 -4.231 -9.592 1.00 2.43 H new ATOM 0 HG2 GLN A 5 -1.289 -3.268 -7.355 1.00 75.20 H new ATOM 0 HG3 GLN A 5 -2.498 -2.043 -7.686 1.00 75.20 H new ATOM 0 HE21 GLN A 5 -1.933 -5.043 -6.292 1.00 53.24 H new ATOM 0 HE22 GLN A 5 -3.599 -5.624 -6.195 1.00 53.24 H new ATOM 94 N LEU A 6 -0.971 -0.158 -11.223 1.00 53.45 N ATOM 95 CA LEU A 6 -1.545 1.075 -11.751 1.00 53.32 C ATOM 96 C LEU A 6 -1.680 1.007 -13.269 1.00 44.41 C ATOM 97 O LEU A 6 -0.979 0.255 -13.946 1.00 20.52 O ATOM 98 CB LEU A 6 -0.680 2.274 -11.357 1.00 62.55 C ATOM 99 CG LEU A 6 -0.943 2.865 -9.972 1.00 51.54 C ATOM 100 CD1 LEU A 6 -2.201 3.720 -9.987 1.00 73.43 C ATOM 101 CD2 LEU A 6 -1.059 1.760 -8.933 1.00 70.12 C ATOM 0 H LEU A 6 -0.014 -0.340 -11.524 1.00 53.45 H new ATOM 0 HA LEU A 6 -2.540 1.196 -11.322 1.00 53.32 H new ATOM 0 HB2 LEU A 6 0.367 1.974 -11.409 1.00 62.55 H new ATOM 0 HB3 LEU A 6 -0.824 3.060 -12.099 1.00 62.55 H new ATOM 0 HG LEU A 6 -0.099 3.501 -9.703 1.00 51.54 H new ATOM 0 HD11 LEU A 6 -2.373 4.132 -8.993 1.00 73.43 H new ATOM 0 HD12 LEU A 6 -2.079 4.534 -10.701 1.00 73.43 H new ATOM 0 HD13 LEU A 6 -3.054 3.107 -10.278 1.00 73.43 H new ATOM 0 HD21 LEU A 6 -1.246 2.200 -7.953 1.00 70.12 H new ATOM 0 HD22 LEU A 6 -1.883 1.098 -9.197 1.00 70.12 H new ATOM 0 HD23 LEU A 6 -0.131 1.190 -8.903 1.00 70.12 H new ATOM 113 N PRO A 7 -2.600 1.814 -13.819 1.00 23.13 N ATOM 114 CA PRO A 7 -2.846 1.866 -15.263 1.00 24.21 C ATOM 115 C PRO A 7 -1.689 2.503 -16.025 1.00 51.42 C ATOM 116 O PRO A 7 -0.602 2.693 -15.479 1.00 34.21 O ATOM 117 CB PRO A 7 -4.103 2.731 -15.378 1.00 33.23 C ATOM 118 CG PRO A 7 -4.093 3.578 -14.153 1.00 13.44 C ATOM 119 CD PRO A 7 -3.471 2.738 -13.073 1.00 24.35 C ATOM 0 HA PRO A 7 -2.956 0.871 -15.694 1.00 24.21 H new ATOM 0 HB2 PRO A 7 -4.083 3.341 -16.281 1.00 33.23 H new ATOM 0 HB3 PRO A 7 -5.003 2.118 -15.428 1.00 33.23 H new ATOM 0 HG2 PRO A 7 -3.521 4.491 -14.315 1.00 13.44 H new ATOM 0 HG3 PRO A 7 -5.104 3.880 -13.879 1.00 13.44 H new ATOM 0 HD2 PRO A 7 -2.903 3.345 -12.369 1.00 24.35 H new ATOM 0 HD3 PRO A 7 -4.225 2.202 -12.496 1.00 24.35 H new ATOM 127 N SER A 8 -1.930 2.833 -17.290 1.00 54.01 N ATOM 128 CA SER A 8 -0.907 3.447 -18.129 1.00 33.34 C ATOM 129 C SER A 8 -1.210 4.924 -18.362 1.00 20.23 C ATOM 130 O SER A 8 -2.341 5.374 -18.175 1.00 45.11 O ATOM 131 CB SER A 8 -0.811 2.716 -19.469 1.00 52.35 C ATOM 132 OG SER A 8 -0.190 3.529 -20.450 1.00 1.52 O ATOM 0 H SER A 8 -2.825 2.685 -17.757 1.00 54.01 H new ATOM 0 HA SER A 8 0.049 3.368 -17.611 1.00 33.34 H new ATOM 0 HB2 SER A 8 -0.243 1.794 -19.344 1.00 52.35 H new ATOM 0 HB3 SER A 8 -1.809 2.433 -19.805 1.00 52.35 H new ATOM 0 HG SER A 8 0.699 3.172 -20.656 1.00 1.52 H new ATOM 138 N ASP A 9 -0.192 5.672 -18.771 1.00 4.35 N ATOM 139 CA ASP A 9 -0.347 7.099 -19.031 1.00 32.23 C ATOM 140 C ASP A 9 0.971 7.715 -19.489 1.00 61.51 C ATOM 141 O ASP A 9 1.968 7.682 -18.767 1.00 53.31 O ATOM 142 CB ASP A 9 -0.850 7.816 -17.777 1.00 35.32 C ATOM 143 CG ASP A 9 -1.948 8.815 -18.083 1.00 15.31 C ATOM 144 OD1 ASP A 9 -1.621 9.963 -18.450 1.00 43.24 O ATOM 145 OD2 ASP A 9 -3.135 8.449 -17.956 1.00 15.52 O ATOM 0 H ASP A 9 0.750 5.314 -18.930 1.00 4.35 H new ATOM 0 HA ASP A 9 -1.080 7.220 -19.828 1.00 32.23 H new ATOM 0 HB2 ASP A 9 -1.221 7.079 -17.065 1.00 35.32 H new ATOM 0 HB3 ASP A 9 -0.017 8.331 -17.298 1.00 35.32 H new ATOM 150 N VAL A 10 0.969 8.274 -20.695 1.00 4.32 N ATOM 151 CA VAL A 10 2.165 8.898 -21.250 1.00 72.40 C ATOM 152 C VAL A 10 2.045 10.417 -21.244 1.00 45.41 C ATOM 153 O VAL A 10 3.035 11.128 -21.070 1.00 33.44 O ATOM 154 CB VAL A 10 2.429 8.420 -22.690 1.00 64.02 C ATOM 155 CG1 VAL A 10 1.370 8.964 -23.636 1.00 61.05 C ATOM 156 CG2 VAL A 10 3.822 8.834 -23.141 1.00 41.10 C ATOM 0 H VAL A 10 0.153 8.308 -21.306 1.00 4.32 H new ATOM 0 HA VAL A 10 3.001 8.601 -20.617 1.00 72.40 H new ATOM 0 HB VAL A 10 2.374 7.332 -22.709 1.00 64.02 H new ATOM 0 HG11 VAL A 10 1.573 8.616 -24.649 1.00 61.05 H new ATOM 0 HG12 VAL A 10 0.387 8.613 -23.322 1.00 61.05 H new ATOM 0 HG13 VAL A 10 1.390 10.054 -23.616 1.00 61.05 H new ATOM 0 HG21 VAL A 10 3.992 8.488 -24.161 1.00 41.10 H new ATOM 0 HG22 VAL A 10 3.908 9.920 -23.107 1.00 41.10 H new ATOM 0 HG23 VAL A 10 4.566 8.391 -22.479 1.00 41.10 H new ATOM 166 N GLY A 11 0.826 10.911 -21.436 1.00 34.33 N ATOM 167 CA GLY A 11 0.599 12.344 -21.449 1.00 33.05 C ATOM 168 C GLY A 11 1.497 13.065 -22.434 1.00 24.42 C ATOM 169 O GLY A 11 2.249 12.433 -23.177 1.00 52.33 O ATOM 0 H GLY A 11 -0.009 10.344 -21.583 1.00 34.33 H new ATOM 0 HA2 GLY A 11 -0.443 12.541 -21.701 1.00 33.05 H new ATOM 0 HA3 GLY A 11 0.767 12.744 -20.449 1.00 33.05 H new ATOM 173 N LYS A 12 1.420 14.391 -22.442 1.00 23.02 N ATOM 174 CA LYS A 12 2.232 15.200 -23.343 1.00 64.32 C ATOM 175 C LYS A 12 3.598 15.494 -22.730 1.00 34.34 C ATOM 176 O LYS A 12 3.767 15.436 -21.512 1.00 42.35 O ATOM 177 CB LYS A 12 1.515 16.511 -23.671 1.00 4.45 C ATOM 178 CG LYS A 12 0.018 16.464 -23.422 1.00 54.34 C ATOM 179 CD LYS A 12 -0.728 17.435 -24.323 1.00 4.11 C ATOM 180 CE LYS A 12 -1.631 18.358 -23.520 1.00 52.52 C ATOM 181 NZ LYS A 12 -2.961 17.742 -23.257 1.00 51.22 N ATOM 0 H LYS A 12 0.803 14.929 -21.834 1.00 23.02 H new ATOM 0 HA LYS A 12 2.381 14.635 -24.263 1.00 64.32 H new ATOM 0 HB2 LYS A 12 1.949 17.312 -23.073 1.00 4.45 H new ATOM 0 HB3 LYS A 12 1.693 16.761 -24.717 1.00 4.45 H new ATOM 0 HG2 LYS A 12 -0.349 15.452 -23.594 1.00 54.34 H new ATOM 0 HG3 LYS A 12 -0.186 16.704 -22.379 1.00 54.34 H new ATOM 0 HD2 LYS A 12 -0.012 18.029 -24.892 1.00 4.11 H new ATOM 0 HD3 LYS A 12 -1.325 16.878 -25.045 1.00 4.11 H new ATOM 0 HE2 LYS A 12 -1.150 18.602 -22.573 1.00 52.52 H new ATOM 0 HE3 LYS A 12 -1.765 19.295 -24.060 1.00 52.52 H new ATOM 0 HZ1 LYS A 12 -3.547 18.402 -22.707 1.00 51.22 H new ATOM 0 HZ2 LYS A 12 -3.431 17.532 -24.161 1.00 51.22 H new ATOM 0 HZ3 LYS A 12 -2.835 16.861 -22.719 1.00 51.22 H new ATOM 195 N GLY A 13 4.569 15.810 -23.581 1.00 54.21 N ATOM 196 CA GLY A 13 5.906 16.110 -23.103 1.00 73.13 C ATOM 197 C GLY A 13 6.956 15.954 -24.185 1.00 24.34 C ATOM 198 O GLY A 13 6.678 15.421 -25.259 1.00 42.02 O ATOM 0 H GLY A 13 4.454 15.864 -24.593 1.00 54.21 H new ATOM 0 HA2 GLY A 13 5.932 17.130 -22.720 1.00 73.13 H new ATOM 0 HA3 GLY A 13 6.147 15.451 -22.269 1.00 73.13 H new ATOM 202 N LYS A 14 8.168 16.420 -23.902 1.00 51.40 N ATOM 203 CA LYS A 14 9.265 16.331 -24.858 1.00 60.02 C ATOM 204 C LYS A 14 10.246 15.233 -24.459 1.00 41.24 C ATOM 205 O LYS A 14 11.094 14.827 -25.254 1.00 32.04 O ATOM 206 CB LYS A 14 9.996 17.672 -24.954 1.00 54.33 C ATOM 207 CG LYS A 14 9.123 18.805 -25.467 1.00 61.35 C ATOM 208 CD LYS A 14 8.337 19.456 -24.343 1.00 14.45 C ATOM 209 CE LYS A 14 7.697 20.761 -24.793 1.00 30.14 C ATOM 210 NZ LYS A 14 8.678 21.881 -24.815 1.00 62.23 N ATOM 0 H LYS A 14 8.415 16.863 -23.017 1.00 51.40 H new ATOM 0 HA LYS A 14 8.845 16.083 -25.833 1.00 60.02 H new ATOM 0 HB2 LYS A 14 10.381 17.938 -23.969 1.00 54.33 H new ATOM 0 HB3 LYS A 14 10.857 17.561 -25.613 1.00 54.33 H new ATOM 0 HG2 LYS A 14 9.747 19.553 -25.957 1.00 61.35 H new ATOM 0 HG3 LYS A 14 8.434 18.422 -26.220 1.00 61.35 H new ATOM 0 HD2 LYS A 14 7.564 18.771 -23.995 1.00 14.45 H new ATOM 0 HD3 LYS A 14 8.999 19.646 -23.498 1.00 14.45 H new ATOM 0 HE2 LYS A 14 7.270 20.632 -25.788 1.00 30.14 H new ATOM 0 HE3 LYS A 14 6.874 21.012 -24.123 1.00 30.14 H new ATOM 0 HZ1 LYS A 14 8.203 22.752 -25.127 1.00 62.23 H new ATOM 0 HZ2 LYS A 14 9.067 22.021 -23.861 1.00 62.23 H new ATOM 0 HZ3 LYS A 14 9.450 21.653 -25.473 1.00 62.23 H new ATOM 224 N ALA A 15 10.124 14.756 -23.225 1.00 12.41 N ATOM 225 CA ALA A 15 10.998 13.703 -22.723 1.00 15.33 C ATOM 226 C ALA A 15 10.642 12.355 -23.340 1.00 25.34 C ATOM 227 O ALA A 15 9.829 11.608 -22.796 1.00 70.32 O ATOM 228 CB ALA A 15 10.917 13.629 -21.205 1.00 55.41 C ATOM 0 H ALA A 15 9.428 15.082 -22.554 1.00 12.41 H new ATOM 0 HA ALA A 15 12.021 13.946 -23.010 1.00 15.33 H new ATOM 0 HB1 ALA A 15 11.575 12.838 -20.844 1.00 55.41 H new ATOM 0 HB2 ALA A 15 11.227 14.582 -20.777 1.00 55.41 H new ATOM 0 HB3 ALA A 15 9.891 13.413 -20.905 1.00 55.41 H new ATOM 234 N SER A 16 11.257 12.050 -24.478 1.00 22.30 N ATOM 235 CA SER A 16 11.002 10.792 -25.171 1.00 43.53 C ATOM 236 C SER A 16 11.888 9.679 -24.621 1.00 3.12 C ATOM 237 O SER A 16 12.841 9.249 -25.271 1.00 51.05 O ATOM 238 CB SER A 16 11.243 10.956 -26.673 1.00 62.02 C ATOM 239 OG SER A 16 12.275 11.895 -26.925 1.00 75.41 O ATOM 0 H SER A 16 11.935 12.656 -24.940 1.00 22.30 H new ATOM 0 HA SER A 16 9.960 10.518 -25.004 1.00 43.53 H new ATOM 0 HB2 SER A 16 11.509 9.993 -27.109 1.00 62.02 H new ATOM 0 HB3 SER A 16 10.323 11.283 -27.158 1.00 62.02 H new ATOM 0 HG SER A 16 12.411 11.980 -27.892 1.00 75.41 H new ATOM 245 N PHE A 17 11.567 9.217 -23.417 1.00 61.31 N ATOM 246 CA PHE A 17 12.334 8.154 -22.777 1.00 35.11 C ATOM 247 C PHE A 17 11.416 7.028 -22.309 1.00 22.10 C ATOM 248 O PHE A 17 10.215 7.226 -22.121 1.00 44.51 O ATOM 249 CB PHE A 17 13.124 8.710 -21.590 1.00 73.33 C ATOM 250 CG PHE A 17 14.527 8.181 -21.504 1.00 32.10 C ATOM 251 CD1 PHE A 17 15.555 8.790 -22.205 1.00 61.13 C ATOM 252 CD2 PHE A 17 14.818 7.075 -20.721 1.00 52.42 C ATOM 253 CE1 PHE A 17 16.847 8.305 -22.128 1.00 71.32 C ATOM 254 CE2 PHE A 17 16.108 6.586 -20.640 1.00 31.02 C ATOM 255 CZ PHE A 17 17.124 7.202 -21.344 1.00 11.25 C ATOM 0 H PHE A 17 10.782 9.562 -22.865 1.00 61.31 H new ATOM 0 HA PHE A 17 13.031 7.750 -23.511 1.00 35.11 H new ATOM 0 HB2 PHE A 17 13.158 9.797 -21.663 1.00 73.33 H new ATOM 0 HB3 PHE A 17 12.596 8.469 -20.667 1.00 73.33 H new ATOM 0 HD1 PHE A 17 15.345 9.653 -22.819 1.00 61.13 H new ATOM 0 HD2 PHE A 17 14.027 6.590 -20.168 1.00 52.42 H new ATOM 0 HE1 PHE A 17 17.639 8.788 -22.680 1.00 71.32 H new ATOM 0 HE2 PHE A 17 16.321 5.723 -20.027 1.00 31.02 H new ATOM 0 HZ PHE A 17 18.133 6.822 -21.282 1.00 11.25 H new ATOM 265 N THR A 18 11.991 5.843 -22.123 1.00 15.42 N ATOM 266 CA THR A 18 11.226 4.685 -21.679 1.00 21.31 C ATOM 267 C THR A 18 11.567 4.320 -20.239 1.00 11.14 C ATOM 268 O THR A 18 12.737 4.284 -19.858 1.00 21.51 O ATOM 269 CB THR A 18 11.484 3.463 -22.581 1.00 32.35 C ATOM 270 OG1 THR A 18 10.901 2.292 -21.998 1.00 14.05 O ATOM 271 CG2 THR A 18 12.976 3.245 -22.783 1.00 74.15 C ATOM 0 H THR A 18 12.983 5.661 -22.273 1.00 15.42 H new ATOM 0 HA THR A 18 10.173 4.959 -21.742 1.00 21.31 H new ATOM 0 HB THR A 18 11.025 3.652 -23.552 1.00 32.35 H new ATOM 0 HG1 THR A 18 10.780 1.608 -22.689 1.00 14.05 H new ATOM 0 HG21 THR A 18 13.133 2.377 -23.423 1.00 74.15 H new ATOM 0 HG22 THR A 18 13.412 4.126 -23.253 1.00 74.15 H new ATOM 0 HG23 THR A 18 13.453 3.075 -21.818 1.00 74.15 H new ATOM 279 N ARG A 19 10.538 4.051 -19.442 1.00 32.50 N ATOM 280 CA ARG A 19 10.729 3.689 -18.043 1.00 1.04 C ATOM 281 C ARG A 19 10.183 2.292 -17.762 1.00 62.15 C ATOM 282 O ARG A 19 9.347 1.780 -18.508 1.00 1.15 O ATOM 283 CB ARG A 19 10.042 4.709 -17.132 1.00 24.51 C ATOM 284 CG ARG A 19 10.207 6.147 -17.595 1.00 73.21 C ATOM 285 CD ARG A 19 11.669 6.493 -17.829 1.00 12.20 C ATOM 286 NE ARG A 19 11.978 7.863 -17.428 1.00 13.03 N ATOM 287 CZ ARG A 19 11.519 8.936 -18.063 1.00 24.13 C ATOM 288 NH1 ARG A 19 10.735 8.798 -19.123 1.00 43.20 N ATOM 289 NH2 ARG A 19 11.845 10.150 -17.637 1.00 72.20 N ATOM 0 H ARG A 19 9.563 4.077 -19.742 1.00 32.50 H new ATOM 0 HA ARG A 19 11.799 3.690 -17.837 1.00 1.04 H new ATOM 0 HB2 ARG A 19 8.979 4.474 -17.075 1.00 24.51 H new ATOM 0 HB3 ARG A 19 10.445 4.612 -16.124 1.00 24.51 H new ATOM 0 HG2 ARG A 19 9.644 6.301 -18.515 1.00 73.21 H new ATOM 0 HG3 ARG A 19 9.788 6.821 -16.848 1.00 73.21 H new ATOM 0 HD2 ARG A 19 12.299 5.801 -17.270 1.00 12.20 H new ATOM 0 HD3 ARG A 19 11.908 6.361 -18.884 1.00 12.20 H new ATOM 0 HE ARG A 19 12.579 8.004 -16.616 1.00 13.03 H new ATOM 0 HH11 ARG A 19 10.483 7.866 -19.453 1.00 43.20 H new ATOM 0 HH12 ARG A 19 10.384 9.623 -19.609 1.00 43.20 H new ATOM 0 HH21 ARG A 19 12.448 10.260 -16.822 1.00 72.20 H new ATOM 0 HH22 ARG A 19 11.492 10.973 -18.125 1.00 72.20 H new ATOM 303 N TYR A 20 10.662 1.681 -16.685 1.00 31.33 N ATOM 304 CA TYR A 20 10.224 0.342 -16.308 1.00 25.22 C ATOM 305 C TYR A 20 9.080 0.406 -15.301 1.00 21.11 C ATOM 306 O TYR A 20 8.926 1.392 -14.580 1.00 44.55 O ATOM 307 CB TYR A 20 11.392 -0.452 -15.720 1.00 21.32 C ATOM 308 CG TYR A 20 12.441 -0.833 -16.741 1.00 15.04 C ATOM 309 CD1 TYR A 20 13.472 0.040 -17.064 1.00 23.20 C ATOM 310 CD2 TYR A 20 12.399 -2.064 -17.382 1.00 70.54 C ATOM 311 CE1 TYR A 20 14.432 -0.303 -17.996 1.00 62.35 C ATOM 312 CE2 TYR A 20 13.355 -2.416 -18.315 1.00 63.50 C ATOM 313 CZ TYR A 20 14.370 -1.533 -18.619 1.00 14.42 C ATOM 314 OH TYR A 20 15.323 -1.879 -19.548 1.00 43.04 O ATOM 0 H TYR A 20 11.354 2.091 -16.057 1.00 31.33 H new ATOM 0 HA TYR A 20 9.866 -0.162 -17.206 1.00 25.22 H new ATOM 0 HB2 TYR A 20 11.861 0.138 -14.932 1.00 21.32 H new ATOM 0 HB3 TYR A 20 11.006 -1.358 -15.253 1.00 21.32 H new ATOM 0 HD1 TYR A 20 13.524 1.003 -16.578 1.00 23.20 H new ATOM 0 HD2 TYR A 20 11.606 -2.758 -17.147 1.00 70.54 H new ATOM 0 HE1 TYR A 20 15.227 0.388 -18.236 1.00 62.35 H new ATOM 0 HE2 TYR A 20 13.308 -3.378 -18.804 1.00 63.50 H new ATOM 0 HH TYR A 20 15.135 -2.778 -19.891 1.00 43.04 H new ATOM 324 N TYR A 21 8.280 -0.653 -15.257 1.00 30.53 N ATOM 325 CA TYR A 21 7.148 -0.719 -14.340 1.00 50.41 C ATOM 326 C TYR A 21 6.778 -2.167 -14.034 1.00 14.42 C ATOM 327 O TYR A 21 6.862 -3.037 -14.900 1.00 73.41 O ATOM 328 CB TYR A 21 5.943 0.014 -14.932 1.00 75.52 C ATOM 329 CG TYR A 21 5.401 -0.629 -16.189 1.00 63.13 C ATOM 330 CD1 TYR A 21 4.557 -1.731 -16.122 1.00 4.05 C ATOM 331 CD2 TYR A 21 5.734 -0.136 -17.445 1.00 5.55 C ATOM 332 CE1 TYR A 21 4.061 -2.322 -17.267 1.00 50.03 C ATOM 333 CE2 TYR A 21 5.242 -0.719 -18.595 1.00 74.24 C ATOM 334 CZ TYR A 21 4.406 -1.812 -18.502 1.00 35.22 C ATOM 335 OH TYR A 21 3.914 -2.397 -19.646 1.00 34.30 O ATOM 0 H TYR A 21 8.394 -1.478 -15.846 1.00 30.53 H new ATOM 0 HA TYR A 21 7.438 -0.234 -13.408 1.00 50.41 H new ATOM 0 HB2 TYR A 21 5.151 0.056 -14.185 1.00 75.52 H new ATOM 0 HB3 TYR A 21 6.227 1.043 -15.154 1.00 75.52 H new ATOM 0 HD1 TYR A 21 4.284 -2.132 -15.157 1.00 4.05 H new ATOM 0 HD2 TYR A 21 6.390 0.719 -17.522 1.00 5.55 H new ATOM 0 HE1 TYR A 21 3.407 -3.178 -17.197 1.00 50.03 H new ATOM 0 HE2 TYR A 21 5.510 -0.321 -19.563 1.00 74.24 H new ATOM 0 HH TYR A 21 4.252 -1.917 -20.430 1.00 34.30 H new ATOM 345 N TYR A 22 6.367 -2.416 -12.795 1.00 52.34 N ATOM 346 CA TYR A 22 5.985 -3.758 -12.372 1.00 53.34 C ATOM 347 C TYR A 22 4.486 -3.837 -12.100 1.00 74.04 C ATOM 348 O TYR A 22 3.910 -2.950 -11.472 1.00 32.01 O ATOM 349 CB TYR A 22 6.764 -4.161 -11.119 1.00 73.44 C ATOM 350 CG TYR A 22 6.909 -5.657 -10.953 1.00 24.14 C ATOM 351 CD1 TYR A 22 5.927 -6.404 -10.315 1.00 12.14 C ATOM 352 CD2 TYR A 22 8.030 -6.324 -11.434 1.00 54.51 C ATOM 353 CE1 TYR A 22 6.056 -7.770 -10.159 1.00 63.44 C ATOM 354 CE2 TYR A 22 8.167 -7.690 -11.285 1.00 32.03 C ATOM 355 CZ TYR A 22 7.178 -8.409 -10.646 1.00 52.12 C ATOM 356 OH TYR A 22 7.310 -9.770 -10.495 1.00 31.31 O ATOM 0 H TYR A 22 6.290 -1.706 -12.067 1.00 52.34 H new ATOM 0 HA TYR A 22 6.226 -4.449 -13.180 1.00 53.34 H new ATOM 0 HB2 TYR A 22 7.756 -3.710 -11.157 1.00 73.44 H new ATOM 0 HB3 TYR A 22 6.262 -3.753 -10.242 1.00 73.44 H new ATOM 0 HD1 TYR A 22 5.047 -5.908 -9.934 1.00 12.14 H new ATOM 0 HD2 TYR A 22 8.807 -5.764 -11.933 1.00 54.51 H new ATOM 0 HE1 TYR A 22 5.283 -8.335 -9.659 1.00 63.44 H new ATOM 0 HE2 TYR A 22 9.043 -8.193 -11.667 1.00 32.03 H new ATOM 0 HH TYR A 22 7.285 -10.201 -11.375 1.00 31.31 H new ATOM 366 N ASN A 23 3.860 -4.908 -12.579 1.00 11.32 N ATOM 367 CA ASN A 23 2.428 -5.105 -12.388 1.00 15.30 C ATOM 368 C ASN A 23 2.146 -6.457 -11.740 1.00 0.22 C ATOM 369 O ASN A 23 2.909 -7.407 -11.908 1.00 61.33 O ATOM 370 CB ASN A 23 1.695 -5.006 -13.728 1.00 22.43 C ATOM 371 CG ASN A 23 2.373 -4.049 -14.688 1.00 43.15 C ATOM 372 OD1 ASN A 23 3.447 -4.338 -15.216 1.00 25.21 O ATOM 373 ND2 ASN A 23 1.747 -2.901 -14.920 1.00 3.11 N ATOM 0 H ASN A 23 4.322 -5.652 -13.102 1.00 11.32 H new ATOM 0 HA ASN A 23 2.064 -4.321 -11.724 1.00 15.30 H new ATOM 0 HB2 ASN A 23 1.640 -5.995 -14.183 1.00 22.43 H new ATOM 0 HB3 ASN A 23 0.670 -4.678 -13.555 1.00 22.43 H new ATOM 0 HD21 ASN A 23 2.155 -2.217 -15.558 1.00 3.11 H new ATOM 0 HD22 ASN A 23 0.858 -2.703 -14.460 1.00 3.11 H new ATOM 380 N GLU A 24 1.045 -6.534 -10.999 1.00 31.11 N ATOM 381 CA GLU A 24 0.663 -7.770 -10.326 1.00 3.14 C ATOM 382 C GLU A 24 -0.154 -8.665 -11.253 1.00 45.01 C ATOM 383 O GLU A 24 -0.033 -8.584 -12.475 1.00 1.41 O ATOM 384 CB GLU A 24 -0.139 -7.460 -9.060 1.00 75.52 C ATOM 385 CG GLU A 24 0.217 -8.349 -7.880 1.00 64.15 C ATOM 386 CD GLU A 24 1.590 -8.042 -7.313 1.00 14.01 C ATOM 387 OE1 GLU A 24 2.592 -8.318 -8.005 1.00 3.34 O ATOM 388 OE2 GLU A 24 1.661 -7.527 -6.178 1.00 10.42 O ATOM 0 H GLU A 24 0.403 -5.756 -10.850 1.00 31.11 H new ATOM 0 HA GLU A 24 1.575 -8.300 -10.050 1.00 3.14 H new ATOM 0 HB2 GLU A 24 0.025 -6.419 -8.782 1.00 75.52 H new ATOM 0 HB3 GLU A 24 -1.202 -7.568 -9.278 1.00 75.52 H new ATOM 0 HG2 GLU A 24 -0.531 -8.225 -7.097 1.00 64.15 H new ATOM 0 HG3 GLU A 24 0.182 -9.393 -8.192 1.00 64.15 H new ATOM 395 N GLU A 25 -0.984 -9.519 -10.662 1.00 41.52 N ATOM 396 CA GLU A 25 -1.819 -10.430 -11.436 1.00 14.25 C ATOM 397 C GLU A 25 -0.969 -11.484 -12.138 1.00 62.01 C ATOM 398 O GLU A 25 -1.474 -12.274 -12.936 1.00 1.04 O ATOM 399 CB GLU A 25 -2.642 -9.653 -12.466 1.00 0.14 C ATOM 400 CG GLU A 25 -4.017 -10.248 -12.720 1.00 42.44 C ATOM 401 CD GLU A 25 -4.610 -9.800 -14.042 1.00 71.32 C ATOM 402 OE1 GLU A 25 -3.967 -10.028 -15.088 1.00 64.40 O ATOM 403 OE2 GLU A 25 -5.717 -9.222 -14.031 1.00 61.31 O ATOM 0 H GLU A 25 -1.096 -9.599 -9.651 1.00 41.52 H new ATOM 0 HA GLU A 25 -2.496 -10.935 -10.747 1.00 14.25 H new ATOM 0 HB2 GLU A 25 -2.758 -8.624 -12.125 1.00 0.14 H new ATOM 0 HB3 GLU A 25 -2.092 -9.617 -13.406 1.00 0.14 H new ATOM 0 HG2 GLU A 25 -3.946 -11.336 -12.707 1.00 42.44 H new ATOM 0 HG3 GLU A 25 -4.688 -9.963 -11.910 1.00 42.44 H new ATOM 410 N SER A 26 0.326 -11.489 -11.836 1.00 53.12 N ATOM 411 CA SER A 26 1.248 -12.442 -12.441 1.00 61.44 C ATOM 412 C SER A 26 2.682 -12.168 -11.998 1.00 12.33 C ATOM 413 O SER A 26 3.512 -13.074 -11.947 1.00 44.14 O ATOM 414 CB SER A 26 1.153 -12.378 -13.967 1.00 22.10 C ATOM 415 OG SER A 26 2.176 -13.148 -14.575 1.00 1.15 O ATOM 0 H SER A 26 0.760 -10.844 -11.176 1.00 53.12 H new ATOM 0 HA SER A 26 0.968 -13.441 -12.108 1.00 61.44 H new ATOM 0 HB2 SER A 26 0.178 -12.744 -14.289 1.00 22.10 H new ATOM 0 HB3 SER A 26 1.229 -11.342 -14.296 1.00 22.10 H new ATOM 0 HG SER A 26 1.922 -13.359 -15.498 1.00 1.15 H new ATOM 421 N GLY A 27 2.965 -10.909 -11.676 1.00 55.25 N ATOM 422 CA GLY A 27 4.298 -10.536 -11.241 1.00 53.33 C ATOM 423 C GLY A 27 5.267 -10.395 -12.398 1.00 61.31 C ATOM 424 O GLY A 27 6.270 -11.107 -12.468 1.00 53.50 O ATOM 0 H GLY A 27 2.295 -10.141 -11.709 1.00 55.25 H new ATOM 0 HA2 GLY A 27 4.248 -9.594 -10.696 1.00 53.33 H new ATOM 0 HA3 GLY A 27 4.674 -11.287 -10.546 1.00 53.33 H new ATOM 428 N LYS A 28 4.968 -9.477 -13.310 1.00 43.42 N ATOM 429 CA LYS A 28 5.820 -9.244 -14.471 1.00 31.52 C ATOM 430 C LYS A 28 6.238 -7.780 -14.555 1.00 15.20 C ATOM 431 O LYS A 28 5.670 -6.922 -13.878 1.00 53.14 O ATOM 432 CB LYS A 28 5.092 -9.653 -15.753 1.00 53.23 C ATOM 433 CG LYS A 28 4.404 -11.003 -15.658 1.00 75.54 C ATOM 434 CD LYS A 28 5.395 -12.114 -15.356 1.00 20.41 C ATOM 435 CE LYS A 28 4.947 -13.439 -15.953 1.00 71.44 C ATOM 436 NZ LYS A 28 5.017 -14.547 -14.961 1.00 34.33 N ATOM 0 H LYS A 28 4.141 -8.881 -13.268 1.00 43.42 H new ATOM 0 HA LYS A 28 6.717 -9.853 -14.360 1.00 31.52 H new ATOM 0 HB2 LYS A 28 4.350 -8.893 -15.998 1.00 53.23 H new ATOM 0 HB3 LYS A 28 5.807 -9.676 -16.575 1.00 53.23 H new ATOM 0 HG2 LYS A 28 3.644 -10.971 -14.878 1.00 75.54 H new ATOM 0 HG3 LYS A 28 3.890 -11.217 -16.595 1.00 75.54 H new ATOM 0 HD2 LYS A 28 6.374 -11.847 -15.754 1.00 20.41 H new ATOM 0 HD3 LYS A 28 5.507 -12.219 -14.277 1.00 20.41 H new ATOM 0 HE2 LYS A 28 3.925 -13.345 -16.320 1.00 71.44 H new ATOM 0 HE3 LYS A 28 5.573 -13.680 -16.812 1.00 71.44 H new ATOM 0 HZ1 LYS A 28 4.704 -15.433 -15.407 1.00 34.33 H new ATOM 0 HZ2 LYS A 28 5.997 -14.654 -14.629 1.00 34.33 H new ATOM 0 HZ3 LYS A 28 4.400 -14.329 -14.153 1.00 34.33 H new ATOM 450 N CYS A 29 7.232 -7.500 -15.390 1.00 62.05 N ATOM 451 CA CYS A 29 7.725 -6.139 -15.565 1.00 25.25 C ATOM 452 C CYS A 29 7.862 -5.795 -17.045 1.00 32.31 C ATOM 453 O CYS A 29 8.188 -6.654 -17.864 1.00 3.32 O ATOM 454 CB CYS A 29 9.075 -5.970 -14.864 1.00 21.21 C ATOM 455 SG CYS A 29 9.700 -4.259 -14.856 1.00 54.13 S ATOM 0 H CYS A 29 7.713 -8.198 -15.957 1.00 62.05 H new ATOM 0 HA CYS A 29 7.002 -5.457 -15.118 1.00 25.25 H new ATOM 0 HB2 CYS A 29 8.984 -6.317 -13.835 1.00 21.21 H new ATOM 0 HB3 CYS A 29 9.809 -6.611 -15.353 1.00 21.21 H new ATOM 460 N GLU A 30 7.609 -4.534 -17.379 1.00 45.44 N ATOM 461 CA GLU A 30 7.704 -4.077 -18.761 1.00 13.20 C ATOM 462 C GLU A 30 8.197 -2.634 -18.825 1.00 31.14 C ATOM 463 O GLU A 30 8.565 -2.046 -17.807 1.00 53.52 O ATOM 464 CB GLU A 30 6.344 -4.194 -19.454 1.00 5.31 C ATOM 465 CG GLU A 30 6.147 -5.508 -20.190 1.00 25.42 C ATOM 466 CD GLU A 30 6.162 -5.341 -21.697 1.00 31.32 C ATOM 467 OE1 GLU A 30 6.862 -4.429 -22.185 1.00 73.43 O ATOM 468 OE2 GLU A 30 5.474 -6.121 -22.387 1.00 73.45 O ATOM 0 H GLU A 30 7.337 -3.811 -16.713 1.00 45.44 H new ATOM 0 HA GLU A 30 8.424 -4.712 -19.278 1.00 13.20 H new ATOM 0 HB2 GLU A 30 5.556 -4.083 -18.710 1.00 5.31 H new ATOM 0 HB3 GLU A 30 6.234 -3.371 -20.161 1.00 5.31 H new ATOM 0 HG2 GLU A 30 6.932 -6.205 -19.898 1.00 25.42 H new ATOM 0 HG3 GLU A 30 5.198 -5.951 -19.887 1.00 25.42 H new ATOM 475 N THR A 31 8.203 -2.069 -20.028 1.00 74.31 N ATOM 476 CA THR A 31 8.652 -0.697 -20.226 1.00 73.02 C ATOM 477 C THR A 31 7.563 0.149 -20.877 1.00 5.22 C ATOM 478 O THR A 31 6.758 -0.353 -21.661 1.00 44.04 O ATOM 479 CB THR A 31 9.920 -0.642 -21.099 1.00 12.51 C ATOM 480 OG1 THR A 31 9.576 -0.838 -22.475 1.00 45.11 O ATOM 481 CG2 THR A 31 10.922 -1.700 -20.665 1.00 21.41 C ATOM 0 H THR A 31 7.902 -2.541 -20.880 1.00 74.31 H new ATOM 0 HA THR A 31 8.881 -0.293 -19.240 1.00 73.02 H new ATOM 0 HB THR A 31 10.377 0.340 -20.976 1.00 12.51 H new ATOM 0 HG1 THR A 31 10.387 -0.800 -23.024 1.00 45.11 H new ATOM 0 HG21 THR A 31 11.809 -1.642 -21.296 1.00 21.41 H new ATOM 0 HG22 THR A 31 11.204 -1.530 -19.626 1.00 21.41 H new ATOM 0 HG23 THR A 31 10.472 -2.688 -20.762 1.00 21.41 H new ATOM 489 N PHE A 32 7.545 1.436 -20.547 1.00 12.32 N ATOM 490 CA PHE A 32 6.554 2.353 -21.099 1.00 63.14 C ATOM 491 C PHE A 32 7.185 3.704 -21.425 1.00 62.53 C ATOM 492 O PHE A 32 8.263 4.033 -20.929 1.00 32.02 O ATOM 493 CB PHE A 32 5.398 2.542 -20.115 1.00 70.33 C ATOM 494 CG PHE A 32 4.257 3.340 -20.677 1.00 52.33 C ATOM 495 CD1 PHE A 32 3.396 2.782 -21.609 1.00 12.34 C ATOM 496 CD2 PHE A 32 4.045 4.649 -20.274 1.00 74.30 C ATOM 497 CE1 PHE A 32 2.346 3.515 -22.128 1.00 15.31 C ATOM 498 CE2 PHE A 32 2.996 5.387 -20.790 1.00 34.45 C ATOM 499 CZ PHE A 32 2.144 4.819 -21.717 1.00 24.41 C ATOM 0 H PHE A 32 8.205 1.868 -19.900 1.00 12.32 H new ATOM 0 HA PHE A 32 6.169 1.919 -22.022 1.00 63.14 H new ATOM 0 HB2 PHE A 32 5.030 1.563 -19.807 1.00 70.33 H new ATOM 0 HB3 PHE A 32 5.771 3.038 -19.219 1.00 70.33 H new ATOM 0 HD1 PHE A 32 3.548 1.763 -21.933 1.00 12.34 H new ATOM 0 HD2 PHE A 32 4.707 5.098 -19.548 1.00 74.30 H new ATOM 0 HE1 PHE A 32 1.683 3.069 -22.855 1.00 15.31 H new ATOM 0 HE2 PHE A 32 2.843 6.407 -20.469 1.00 34.45 H new ATOM 0 HZ PHE A 32 1.322 5.392 -22.120 1.00 24.41 H new ATOM 509 N ILE A 33 6.506 4.480 -22.263 1.00 4.00 N ATOM 510 CA ILE A 33 7.000 5.794 -22.655 1.00 55.50 C ATOM 511 C ILE A 33 6.495 6.876 -21.706 1.00 3.31 C ATOM 512 O ILE A 33 5.294 6.993 -21.463 1.00 51.11 O ATOM 513 CB ILE A 33 6.575 6.150 -24.092 1.00 73.52 C ATOM 514 CG1 ILE A 33 6.889 4.991 -25.041 1.00 50.10 C ATOM 515 CG2 ILE A 33 7.272 7.422 -24.551 1.00 74.45 C ATOM 516 CD1 ILE A 33 5.676 4.167 -25.412 1.00 14.44 C ATOM 0 H ILE A 33 5.613 4.222 -22.683 1.00 4.00 H new ATOM 0 HA ILE A 33 8.088 5.749 -22.607 1.00 55.50 H new ATOM 0 HB ILE A 33 5.499 6.324 -24.105 1.00 73.52 H new ATOM 0 HG12 ILE A 33 7.340 5.389 -25.950 1.00 50.10 H new ATOM 0 HG13 ILE A 33 7.630 4.342 -24.575 1.00 50.10 H new ATOM 0 HG21 ILE A 33 6.961 7.660 -25.568 1.00 74.45 H new ATOM 0 HG22 ILE A 33 7.003 8.244 -23.887 1.00 74.45 H new ATOM 0 HG23 ILE A 33 8.352 7.274 -24.527 1.00 74.45 H new ATOM 0 HD11 ILE A 33 5.974 3.364 -26.086 1.00 14.44 H new ATOM 0 HD12 ILE A 33 5.237 3.740 -24.511 1.00 14.44 H new ATOM 0 HD13 ILE A 33 4.942 4.803 -25.907 1.00 14.44 H new ATOM 528 N TYR A 34 7.421 7.666 -21.173 1.00 51.33 N ATOM 529 CA TYR A 34 7.071 8.739 -20.250 1.00 13.10 C ATOM 530 C TYR A 34 7.777 10.037 -20.630 1.00 24.25 C ATOM 531 O TYR A 34 8.978 10.048 -20.896 1.00 43.24 O ATOM 532 CB TYR A 34 7.436 8.347 -18.817 1.00 72.33 C ATOM 533 CG TYR A 34 7.379 9.500 -17.841 1.00 24.33 C ATOM 534 CD1 TYR A 34 6.316 10.394 -17.851 1.00 60.42 C ATOM 535 CD2 TYR A 34 8.390 9.694 -16.907 1.00 14.33 C ATOM 536 CE1 TYR A 34 6.261 11.449 -16.961 1.00 61.33 C ATOM 537 CE2 TYR A 34 8.342 10.746 -16.012 1.00 23.21 C ATOM 538 CZ TYR A 34 7.276 11.620 -16.043 1.00 43.55 C ATOM 539 OH TYR A 34 7.224 12.669 -15.154 1.00 45.53 O ATOM 0 H TYR A 34 8.419 7.583 -21.364 1.00 51.33 H new ATOM 0 HA TYR A 34 5.995 8.901 -20.312 1.00 13.10 H new ATOM 0 HB2 TYR A 34 6.758 7.563 -18.480 1.00 72.33 H new ATOM 0 HB3 TYR A 34 8.441 7.925 -18.809 1.00 72.33 H new ATOM 0 HD1 TYR A 34 5.518 10.262 -18.567 1.00 60.42 H new ATOM 0 HD2 TYR A 34 9.227 9.012 -16.880 1.00 14.33 H new ATOM 0 HE1 TYR A 34 5.428 12.136 -16.984 1.00 61.33 H new ATOM 0 HE2 TYR A 34 9.135 10.883 -15.292 1.00 23.21 H new ATOM 0 HH TYR A 34 8.014 12.647 -14.575 1.00 45.53 H new ATOM 549 N GLY A 35 7.021 11.131 -20.651 1.00 24.54 N ATOM 550 CA GLY A 35 7.591 12.419 -20.998 1.00 10.42 C ATOM 551 C GLY A 35 6.651 13.569 -20.694 1.00 3.32 C ATOM 552 O GLY A 35 5.501 13.573 -21.131 1.00 65.21 O ATOM 0 H GLY A 35 6.025 11.148 -20.434 1.00 24.54 H new ATOM 0 HA2 GLY A 35 8.522 12.560 -20.450 1.00 10.42 H new ATOM 0 HA3 GLY A 35 7.841 12.429 -22.059 1.00 10.42 H new ATOM 556 N GLY A 36 7.141 14.549 -19.940 1.00 24.22 N ATOM 557 CA GLY A 36 6.323 15.695 -19.589 1.00 4.01 C ATOM 558 C GLY A 36 5.396 15.411 -18.424 1.00 72.43 C ATOM 559 O GLY A 36 5.808 15.463 -17.266 1.00 21.35 O ATOM 0 H GLY A 36 8.090 14.569 -19.566 1.00 24.22 H new ATOM 0 HA2 GLY A 36 6.970 16.536 -19.338 1.00 4.01 H new ATOM 0 HA3 GLY A 36 5.732 15.995 -20.455 1.00 4.01 H new ATOM 563 N VAL A 37 4.138 15.110 -18.731 1.00 52.14 N ATOM 564 CA VAL A 37 3.148 14.817 -17.701 1.00 65.03 C ATOM 565 C VAL A 37 3.278 13.380 -17.208 1.00 0.31 C ATOM 566 O VAL A 37 3.311 12.441 -18.002 1.00 21.15 O ATOM 567 CB VAL A 37 1.716 15.043 -18.219 1.00 15.22 C ATOM 568 CG1 VAL A 37 0.713 14.935 -17.080 1.00 1.41 C ATOM 569 CG2 VAL A 37 1.606 16.394 -18.910 1.00 62.22 C ATOM 0 H VAL A 37 3.780 15.063 -19.685 1.00 52.14 H new ATOM 0 HA VAL A 37 3.339 15.501 -16.874 1.00 65.03 H new ATOM 0 HB VAL A 37 1.486 14.267 -18.949 1.00 15.22 H new ATOM 0 HG11 VAL A 37 -0.294 15.098 -17.465 1.00 1.41 H new ATOM 0 HG12 VAL A 37 0.775 13.943 -16.634 1.00 1.41 H new ATOM 0 HG13 VAL A 37 0.938 15.687 -16.324 1.00 1.41 H new ATOM 0 HG21 VAL A 37 0.587 16.537 -19.270 1.00 62.22 H new ATOM 0 HG22 VAL A 37 1.856 17.185 -18.203 1.00 62.22 H new ATOM 0 HG23 VAL A 37 2.297 16.429 -19.753 1.00 62.22 H new ATOM 579 N GLY A 38 3.351 13.217 -15.890 1.00 74.03 N ATOM 580 CA GLY A 38 3.475 11.891 -15.313 1.00 3.51 C ATOM 581 C GLY A 38 2.157 11.363 -14.784 1.00 12.23 C ATOM 582 O GLY A 38 1.441 12.064 -14.070 1.00 54.22 O ATOM 0 H GLY A 38 3.326 13.979 -15.212 1.00 74.03 H new ATOM 0 HA2 GLY A 38 3.861 11.205 -16.067 1.00 3.51 H new ATOM 0 HA3 GLY A 38 4.204 11.917 -14.503 1.00 3.51 H new ATOM 586 N GLY A 39 1.834 10.122 -15.136 1.00 11.24 N ATOM 587 CA GLY A 39 0.592 9.522 -14.684 1.00 1.32 C ATOM 588 C GLY A 39 0.820 8.281 -13.844 1.00 54.02 C ATOM 589 O GLY A 39 1.780 7.544 -14.062 1.00 21.10 O ATOM 0 H GLY A 39 2.410 9.522 -15.726 1.00 11.24 H new ATOM 0 HA2 GLY A 39 0.030 10.252 -14.102 1.00 1.32 H new ATOM 0 HA3 GLY A 39 -0.019 9.264 -15.549 1.00 1.32 H new ATOM 593 N ASN A 40 -0.066 8.050 -12.880 1.00 43.21 N ATOM 594 CA ASN A 40 0.045 6.890 -12.003 1.00 13.32 C ATOM 595 C ASN A 40 1.448 6.787 -11.412 1.00 75.41 C ATOM 596 O ASN A 40 2.247 7.716 -11.519 1.00 3.24 O ATOM 597 CB ASN A 40 -0.294 5.611 -12.770 1.00 22.51 C ATOM 598 CG ASN A 40 -0.897 5.895 -14.132 1.00 14.23 C ATOM 599 OD1 ASN A 40 -1.930 6.557 -14.239 1.00 70.23 O ATOM 600 ND2 ASN A 40 -0.254 5.395 -15.180 1.00 42.11 N ATOM 0 H ASN A 40 -0.868 8.650 -12.687 1.00 43.21 H new ATOM 0 HA ASN A 40 -0.665 7.014 -11.186 1.00 13.32 H new ATOM 0 HB2 ASN A 40 0.610 5.014 -12.893 1.00 22.51 H new ATOM 0 HB3 ASN A 40 -0.993 5.014 -12.184 1.00 22.51 H new ATOM 0 HD21 ASN A 40 -0.613 5.554 -16.122 1.00 42.11 H new ATOM 0 HD22 ASN A 40 0.599 4.852 -15.044 1.00 42.11 H new ATOM 607 N SER A 41 1.739 5.649 -10.790 1.00 30.22 N ATOM 608 CA SER A 41 3.044 5.424 -10.179 1.00 50.12 C ATOM 609 C SER A 41 3.770 4.268 -10.860 1.00 45.11 C ATOM 610 O SER A 41 4.750 3.741 -10.335 1.00 43.31 O ATOM 611 CB SER A 41 2.888 5.134 -8.685 1.00 44.21 C ATOM 612 OG SER A 41 4.072 5.459 -7.977 1.00 21.33 O ATOM 0 H SER A 41 1.089 4.869 -10.696 1.00 30.22 H new ATOM 0 HA SER A 41 3.638 6.329 -10.306 1.00 50.12 H new ATOM 0 HB2 SER A 41 2.052 5.708 -8.285 1.00 44.21 H new ATOM 0 HB3 SER A 41 2.650 4.080 -8.539 1.00 44.21 H new ATOM 0 HG SER A 41 4.842 5.046 -8.420 1.00 21.33 H new ATOM 618 N ASN A 42 3.282 3.879 -12.033 1.00 54.23 N ATOM 619 CA ASN A 42 3.883 2.785 -12.787 1.00 41.22 C ATOM 620 C ASN A 42 4.989 3.300 -13.703 1.00 64.43 C ATOM 621 O ASN A 42 5.064 2.926 -14.873 1.00 41.10 O ATOM 622 CB ASN A 42 2.818 2.061 -13.612 1.00 72.35 C ATOM 623 CG ASN A 42 2.845 0.559 -13.401 1.00 51.22 C ATOM 624 OD1 ASN A 42 2.855 -0.214 -14.359 1.00 51.44 O ATOM 625 ND2 ASN A 42 2.857 0.139 -12.141 1.00 55.34 N ATOM 0 H ASN A 42 2.472 4.305 -12.482 1.00 54.23 H new ATOM 0 HA ASN A 42 4.321 2.084 -12.076 1.00 41.22 H new ATOM 0 HB2 ASN A 42 1.833 2.445 -13.346 1.00 72.35 H new ATOM 0 HB3 ASN A 42 2.970 2.279 -14.669 1.00 72.35 H new ATOM 0 HD21 ASN A 42 2.875 -0.860 -11.937 1.00 55.34 H new ATOM 0 HD22 ASN A 42 2.848 0.816 -11.378 1.00 55.34 H new ATOM 632 N ASN A 43 5.847 4.159 -13.162 1.00 32.31 N ATOM 633 CA ASN A 43 6.950 4.725 -13.930 1.00 74.33 C ATOM 634 C ASN A 43 8.220 4.796 -13.088 1.00 34.31 C ATOM 635 O ASN A 43 8.219 5.352 -11.990 1.00 14.24 O ATOM 636 CB ASN A 43 6.582 6.121 -14.437 1.00 72.43 C ATOM 637 CG ASN A 43 5.614 6.835 -13.514 1.00 75.40 C ATOM 638 OD1 ASN A 43 4.402 6.626 -13.585 1.00 63.12 O ATOM 639 ND2 ASN A 43 6.145 7.683 -12.641 1.00 72.32 N ATOM 0 H ASN A 43 5.800 4.478 -12.194 1.00 32.31 H new ATOM 0 HA ASN A 43 7.138 4.073 -14.783 1.00 74.33 H new ATOM 0 HB2 ASN A 43 7.488 6.718 -14.540 1.00 72.43 H new ATOM 0 HB3 ASN A 43 6.140 6.039 -15.430 1.00 72.43 H new ATOM 0 HD21 ASN A 43 5.543 8.192 -11.994 1.00 72.32 H new ATOM 0 HD22 ASN A 43 7.155 7.825 -12.617 1.00 72.32 H new ATOM 646 N PHE A 44 9.302 4.229 -13.610 1.00 60.32 N ATOM 647 CA PHE A 44 10.579 4.227 -12.907 1.00 3.15 C ATOM 648 C PHE A 44 11.741 4.360 -13.887 1.00 53.23 C ATOM 649 O PHE A 44 11.903 3.539 -14.790 1.00 70.55 O ATOM 650 CB PHE A 44 10.733 2.944 -12.088 1.00 30.32 C ATOM 651 CG PHE A 44 10.179 3.051 -10.696 1.00 34.50 C ATOM 652 CD1 PHE A 44 8.814 2.963 -10.471 1.00 23.42 C ATOM 653 CD2 PHE A 44 11.022 3.239 -9.613 1.00 12.52 C ATOM 654 CE1 PHE A 44 8.301 3.060 -9.191 1.00 52.22 C ATOM 655 CE2 PHE A 44 10.514 3.337 -8.331 1.00 41.31 C ATOM 656 CZ PHE A 44 9.152 3.249 -8.120 1.00 70.21 C ATOM 0 H PHE A 44 9.320 3.765 -14.518 1.00 60.32 H new ATOM 0 HA PHE A 44 10.595 5.084 -12.234 1.00 3.15 H new ATOM 0 HB2 PHE A 44 10.231 2.128 -12.608 1.00 30.32 H new ATOM 0 HB3 PHE A 44 11.790 2.684 -12.031 1.00 30.32 H new ATOM 0 HD1 PHE A 44 8.144 2.817 -11.305 1.00 23.42 H new ATOM 0 HD2 PHE A 44 12.088 3.310 -9.772 1.00 12.52 H new ATOM 0 HE1 PHE A 44 7.236 2.988 -9.029 1.00 52.22 H new ATOM 0 HE2 PHE A 44 11.182 3.482 -7.495 1.00 41.31 H new ATOM 0 HZ PHE A 44 8.753 3.328 -7.119 1.00 70.21 H new ATOM 666 N LEU A 45 12.546 5.401 -13.703 1.00 72.35 N ATOM 667 CA LEU A 45 13.693 5.643 -14.572 1.00 12.34 C ATOM 668 C LEU A 45 14.776 4.592 -14.349 1.00 52.54 C ATOM 669 O LEU A 45 15.791 4.573 -15.047 1.00 12.43 O ATOM 670 CB LEU A 45 14.262 7.040 -14.319 1.00 2.41 C ATOM 671 CG LEU A 45 13.238 8.144 -14.050 1.00 64.04 C ATOM 672 CD1 LEU A 45 13.101 8.392 -12.556 1.00 52.44 C ATOM 673 CD2 LEU A 45 13.633 9.424 -14.772 1.00 1.53 C ATOM 0 H LEU A 45 12.426 6.090 -12.961 1.00 72.35 H new ATOM 0 HA LEU A 45 13.356 5.576 -15.606 1.00 12.34 H new ATOM 0 HB2 LEU A 45 14.940 6.985 -13.467 1.00 2.41 H new ATOM 0 HB3 LEU A 45 14.859 7.329 -15.184 1.00 2.41 H new ATOM 0 HG LEU A 45 12.271 7.818 -14.433 1.00 64.04 H new ATOM 0 HD11 LEU A 45 12.368 9.180 -12.384 1.00 52.44 H new ATOM 0 HD12 LEU A 45 12.772 7.477 -12.064 1.00 52.44 H new ATOM 0 HD13 LEU A 45 14.065 8.697 -12.148 1.00 52.44 H new ATOM 0 HD21 LEU A 45 12.894 10.199 -14.570 1.00 1.53 H new ATOM 0 HD22 LEU A 45 14.610 9.754 -14.419 1.00 1.53 H new ATOM 0 HD23 LEU A 45 13.679 9.237 -15.845 1.00 1.53 H new ATOM 685 N THR A 46 14.553 3.717 -13.374 1.00 74.12 N ATOM 686 CA THR A 46 15.508 2.662 -13.061 1.00 2.14 C ATOM 687 C THR A 46 14.957 1.291 -13.437 1.00 3.42 C ATOM 688 O THR A 46 13.748 1.063 -13.392 1.00 63.14 O ATOM 689 CB THR A 46 15.874 2.663 -11.564 1.00 64.44 C ATOM 690 OG1 THR A 46 14.973 3.507 -10.840 1.00 21.13 O ATOM 691 CG2 THR A 46 17.303 3.142 -11.357 1.00 63.52 C ATOM 0 H THR A 46 13.719 3.718 -12.787 1.00 74.12 H new ATOM 0 HA THR A 46 16.404 2.863 -13.648 1.00 2.14 H new ATOM 0 HB THR A 46 15.792 1.642 -11.192 1.00 64.44 H new ATOM 0 HG1 THR A 46 15.472 4.021 -10.172 1.00 21.13 H new ATOM 0 HG21 THR A 46 17.539 3.134 -10.293 1.00 63.52 H new ATOM 0 HG22 THR A 46 17.989 2.480 -11.885 1.00 63.52 H new ATOM 0 HG23 THR A 46 17.407 4.156 -11.744 1.00 63.52 H new ATOM 699 N LYS A 47 15.851 0.381 -13.807 1.00 24.12 N ATOM 700 CA LYS A 47 15.456 -0.969 -14.189 1.00 73.43 C ATOM 701 C LYS A 47 15.154 -1.817 -12.958 1.00 33.22 C ATOM 702 O LYS A 47 14.011 -2.213 -12.732 1.00 31.44 O ATOM 703 CB LYS A 47 16.559 -1.631 -15.019 1.00 12.43 C ATOM 704 CG LYS A 47 16.038 -2.627 -16.040 1.00 54.31 C ATOM 705 CD LYS A 47 16.134 -4.054 -15.527 1.00 1.41 C ATOM 706 CE LYS A 47 17.387 -4.747 -16.041 1.00 34.14 C ATOM 707 NZ LYS A 47 17.099 -5.608 -17.221 1.00 42.03 N ATOM 0 H LYS A 47 16.855 0.554 -13.850 1.00 24.12 H new ATOM 0 HA LYS A 47 14.550 -0.898 -14.791 1.00 73.43 H new ATOM 0 HB2 LYS A 47 17.127 -0.857 -15.536 1.00 12.43 H new ATOM 0 HB3 LYS A 47 17.251 -2.140 -14.348 1.00 12.43 H new ATOM 0 HG2 LYS A 47 15.000 -2.395 -16.279 1.00 54.31 H new ATOM 0 HG3 LYS A 47 16.607 -2.533 -16.965 1.00 54.31 H new ATOM 0 HD2 LYS A 47 16.140 -4.050 -14.437 1.00 1.41 H new ATOM 0 HD3 LYS A 47 15.253 -4.614 -15.839 1.00 1.41 H new ATOM 0 HE2 LYS A 47 18.132 -3.998 -16.311 1.00 34.14 H new ATOM 0 HE3 LYS A 47 17.819 -5.354 -15.245 1.00 34.14 H new ATOM 0 HZ1 LYS A 47 17.978 -6.063 -17.542 1.00 42.03 H new ATOM 0 HZ2 LYS A 47 16.407 -6.339 -16.957 1.00 42.03 H new ATOM 0 HZ3 LYS A 47 16.710 -5.025 -17.990 1.00 42.03 H new ATOM 721 N GLU A 48 16.185 -2.090 -12.165 1.00 64.00 N ATOM 722 CA GLU A 48 16.028 -2.890 -10.956 1.00 63.43 C ATOM 723 C GLU A 48 14.901 -2.345 -10.085 1.00 53.50 C ATOM 724 O GLU A 48 14.096 -3.104 -9.545 1.00 0.21 O ATOM 725 CB GLU A 48 17.335 -2.915 -10.161 1.00 64.52 C ATOM 726 CG GLU A 48 18.042 -4.260 -10.194 1.00 62.12 C ATOM 727 CD GLU A 48 18.871 -4.514 -8.950 1.00 71.40 C ATOM 728 OE1 GLU A 48 18.280 -4.629 -7.856 1.00 50.50 O ATOM 729 OE2 GLU A 48 20.111 -4.599 -9.071 1.00 60.42 O ATOM 0 H GLU A 48 17.138 -1.769 -12.338 1.00 64.00 H new ATOM 0 HA GLU A 48 15.773 -3.907 -11.255 1.00 63.43 H new ATOM 0 HB2 GLU A 48 18.005 -2.152 -10.556 1.00 64.52 H new ATOM 0 HB3 GLU A 48 17.125 -2.650 -9.125 1.00 64.52 H new ATOM 0 HG2 GLU A 48 17.302 -5.053 -10.301 1.00 62.12 H new ATOM 0 HG3 GLU A 48 18.687 -4.306 -11.071 1.00 62.12 H new ATOM 736 N ASP A 49 14.850 -1.024 -9.953 1.00 12.32 N ATOM 737 CA ASP A 49 13.821 -0.375 -9.148 1.00 3.11 C ATOM 738 C ASP A 49 12.439 -0.924 -9.487 1.00 60.01 C ATOM 739 O ASP A 49 11.560 -0.995 -8.628 1.00 74.40 O ATOM 740 CB ASP A 49 13.851 1.138 -9.368 1.00 15.42 C ATOM 741 CG ASP A 49 14.982 1.811 -8.616 1.00 21.13 C ATOM 742 OD1 ASP A 49 16.031 1.163 -8.420 1.00 44.11 O ATOM 743 OD2 ASP A 49 14.818 2.985 -8.222 1.00 21.10 O ATOM 0 H ASP A 49 15.509 -0.382 -10.393 1.00 12.32 H new ATOM 0 HA ASP A 49 14.028 -0.586 -8.099 1.00 3.11 H new ATOM 0 HB2 ASP A 49 13.953 1.345 -10.433 1.00 15.42 H new ATOM 0 HB3 ASP A 49 12.901 1.567 -9.050 1.00 15.42 H new ATOM 748 N CYS A 50 12.254 -1.310 -10.745 1.00 34.00 N ATOM 749 CA CYS A 50 10.979 -1.851 -11.199 1.00 75.33 C ATOM 750 C CYS A 50 10.426 -2.859 -10.195 1.00 5.21 C ATOM 751 O CYS A 50 9.314 -2.703 -9.690 1.00 23.12 O ATOM 752 CB CYS A 50 11.141 -2.516 -12.568 1.00 2.22 C ATOM 753 SG CYS A 50 9.662 -3.413 -13.139 1.00 42.44 S ATOM 0 H CYS A 50 12.971 -1.258 -11.468 1.00 34.00 H new ATOM 0 HA CYS A 50 10.273 -1.025 -11.284 1.00 75.33 H new ATOM 0 HB2 CYS A 50 11.396 -1.752 -13.303 1.00 2.22 H new ATOM 0 HB3 CYS A 50 11.980 -3.210 -12.526 1.00 2.22 H new ATOM 758 N CYS A 51 11.212 -3.892 -9.910 1.00 34.24 N ATOM 759 CA CYS A 51 10.803 -4.926 -8.966 1.00 61.03 C ATOM 760 C CYS A 51 10.581 -4.337 -7.576 1.00 55.13 C ATOM 761 O CYS A 51 9.689 -4.767 -6.844 1.00 63.10 O ATOM 762 CB CYS A 51 11.859 -6.032 -8.901 1.00 14.45 C ATOM 763 SG CYS A 51 11.186 -7.680 -8.513 1.00 0.42 S ATOM 0 H CYS A 51 12.135 -4.035 -10.319 1.00 34.24 H new ATOM 0 HA CYS A 51 9.862 -5.351 -9.315 1.00 61.03 H new ATOM 0 HB2 CYS A 51 12.379 -6.080 -9.858 1.00 14.45 H new ATOM 0 HB3 CYS A 51 12.601 -5.768 -8.148 1.00 14.45 H new ATOM 768 N ARG A 52 11.397 -3.350 -7.220 1.00 74.23 N ATOM 769 CA ARG A 52 11.290 -2.702 -5.919 1.00 32.54 C ATOM 770 C ARG A 52 9.846 -2.307 -5.625 1.00 34.11 C ATOM 771 O ARG A 52 9.384 -2.406 -4.489 1.00 22.45 O ATOM 772 CB ARG A 52 12.189 -1.466 -5.865 1.00 22.20 C ATOM 773 CG ARG A 52 12.969 -1.336 -4.567 1.00 30.12 C ATOM 774 CD ARG A 52 13.909 -2.513 -4.361 1.00 64.44 C ATOM 775 NE ARG A 52 15.306 -2.092 -4.288 1.00 32.12 N ATOM 776 CZ ARG A 52 15.839 -1.499 -3.226 1.00 5.12 C ATOM 777 NH1 ARG A 52 15.097 -1.259 -2.154 1.00 4.13 N ATOM 778 NH2 ARG A 52 17.118 -1.145 -3.235 1.00 23.03 N ATOM 0 H ARG A 52 12.139 -2.982 -7.815 1.00 74.23 H new ATOM 0 HA ARG A 52 11.616 -3.413 -5.160 1.00 32.54 H new ATOM 0 HB2 ARG A 52 12.891 -1.501 -6.699 1.00 22.20 H new ATOM 0 HB3 ARG A 52 11.576 -0.575 -6.001 1.00 22.20 H new ATOM 0 HG2 ARG A 52 13.542 -0.409 -4.577 1.00 30.12 H new ATOM 0 HG3 ARG A 52 12.275 -1.273 -3.729 1.00 30.12 H new ATOM 0 HD2 ARG A 52 13.640 -3.036 -3.443 1.00 64.44 H new ATOM 0 HD3 ARG A 52 13.786 -3.222 -5.180 1.00 64.44 H new ATOM 0 HE ARG A 52 15.904 -2.263 -5.096 1.00 32.12 H new ATOM 0 HH11 ARG A 52 14.114 -1.530 -2.143 1.00 4.13 H new ATOM 0 HH12 ARG A 52 15.509 -0.803 -1.340 1.00 4.13 H new ATOM 0 HH21 ARG A 52 17.692 -1.328 -4.058 1.00 23.03 H new ATOM 0 HH22 ARG A 52 17.527 -0.690 -2.419 1.00 23.03 H new ATOM 792 N GLU A 53 9.139 -1.858 -6.657 1.00 74.34 N ATOM 793 CA GLU A 53 7.748 -1.447 -6.509 1.00 14.23 C ATOM 794 C GLU A 53 6.921 -2.550 -5.854 1.00 11.22 C ATOM 795 O GLU A 53 6.083 -2.285 -4.991 1.00 44.50 O ATOM 796 CB GLU A 53 7.150 -1.087 -7.871 1.00 25.41 C ATOM 797 CG GLU A 53 6.762 0.376 -7.998 1.00 44.13 C ATOM 798 CD GLU A 53 6.241 0.723 -9.379 1.00 50.32 C ATOM 799 OE1 GLU A 53 7.011 0.593 -10.354 1.00 4.04 O ATOM 800 OE2 GLU A 53 5.064 1.125 -9.486 1.00 14.33 O ATOM 0 H GLU A 53 9.507 -1.770 -7.604 1.00 74.34 H new ATOM 0 HA GLU A 53 7.723 -0.567 -5.866 1.00 14.23 H new ATOM 0 HB2 GLU A 53 7.871 -1.332 -8.651 1.00 25.41 H new ATOM 0 HB3 GLU A 53 6.269 -1.704 -8.046 1.00 25.41 H new ATOM 0 HG2 GLU A 53 5.999 0.611 -7.256 1.00 44.13 H new ATOM 0 HG3 GLU A 53 7.628 0.999 -7.773 1.00 44.13 H new ATOM 807 N CYS A 54 7.162 -3.788 -6.271 1.00 20.34 N ATOM 808 CA CYS A 54 6.441 -4.933 -5.727 1.00 13.40 C ATOM 809 C CYS A 54 7.344 -5.765 -4.821 1.00 51.41 C ATOM 810 O CYS A 54 6.929 -6.795 -4.291 1.00 0.44 O ATOM 811 CB CYS A 54 5.895 -5.804 -6.860 1.00 42.54 C ATOM 812 SG CYS A 54 4.078 -5.800 -6.992 1.00 63.03 S ATOM 0 H CYS A 54 7.852 -4.024 -6.984 1.00 20.34 H new ATOM 0 HA CYS A 54 5.608 -4.557 -5.133 1.00 13.40 H new ATOM 0 HB2 CYS A 54 6.318 -5.460 -7.804 1.00 42.54 H new ATOM 0 HB3 CYS A 54 6.236 -6.829 -6.712 1.00 42.54 H new ATOM 817 N ALA A 55 8.581 -5.310 -4.649 1.00 53.30 N ATOM 818 CA ALA A 55 9.542 -6.010 -3.806 1.00 52.11 C ATOM 819 C ALA A 55 9.212 -5.826 -2.329 1.00 24.25 C ATOM 820 O ALA A 55 9.618 -6.629 -1.489 1.00 24.20 O ATOM 821 CB ALA A 55 10.953 -5.523 -4.099 1.00 4.05 C ATOM 0 H ALA A 55 8.941 -4.460 -5.082 1.00 53.30 H new ATOM 0 HA ALA A 55 9.482 -7.074 -4.034 1.00 52.11 H new ATOM 0 HB1 ALA A 55 11.661 -6.054 -3.462 1.00 4.05 H new ATOM 0 HB2 ALA A 55 11.193 -5.712 -5.145 1.00 4.05 H new ATOM 0 HB3 ALA A 55 11.017 -4.453 -3.900 1.00 4.05 H new ATOM 827 N GLN A 56 8.475 -4.765 -2.019 1.00 2.51 N ATOM 828 CA GLN A 56 8.093 -4.476 -0.642 1.00 1.23 C ATOM 829 C GLN A 56 7.027 -5.453 -0.156 1.00 40.54 C ATOM 830 O GLN A 56 6.743 -5.535 1.038 1.00 45.51 O ATOM 831 CB GLN A 56 7.578 -3.040 -0.523 1.00 63.32 C ATOM 832 CG GLN A 56 8.429 -2.025 -1.270 1.00 30.43 C ATOM 833 CD GLN A 56 9.898 -2.116 -0.908 1.00 23.53 C ATOM 834 OE1 GLN A 56 10.649 -2.893 -1.500 1.00 55.53 O ATOM 835 NE2 GLN A 56 10.318 -1.322 0.070 1.00 52.21 N ATOM 0 H GLN A 56 8.130 -4.091 -2.703 1.00 2.51 H new ATOM 0 HA GLN A 56 8.977 -4.590 -0.015 1.00 1.23 H new ATOM 0 HB2 GLN A 56 6.557 -2.996 -0.903 1.00 63.32 H new ATOM 0 HB3 GLN A 56 7.538 -2.763 0.531 1.00 63.32 H new ATOM 0 HG2 GLN A 56 8.313 -2.179 -2.343 1.00 30.43 H new ATOM 0 HG3 GLN A 56 8.066 -1.021 -1.051 1.00 30.43 H new ATOM 0 HE21 GLN A 56 9.662 -0.693 0.534 1.00 52.21 H new ATOM 0 HE22 GLN A 56 11.296 -1.341 0.357 1.00 52.21 H new ATOM 844 N GLY A 57 6.439 -6.192 -1.092 1.00 14.21 N ATOM 845 CA GLY A 57 5.410 -7.153 -0.740 1.00 12.13 C ATOM 846 C GLY A 57 5.889 -8.586 -0.861 1.00 1.25 C ATOM 847 O GLY A 57 5.392 -9.474 -0.169 1.00 74.40 O ATOM 0 H GLY A 57 6.657 -6.142 -2.087 1.00 14.21 H new ATOM 0 HA2 GLY A 57 5.080 -6.969 0.282 1.00 12.13 H new ATOM 0 HA3 GLY A 57 4.544 -7.007 -1.386 1.00 12.13 H new ATOM 851 N SER A 58 6.857 -8.812 -1.743 1.00 3.13 N ATOM 852 CA SER A 58 7.400 -10.148 -1.956 1.00 62.41 C ATOM 853 C SER A 58 8.794 -10.076 -2.572 1.00 60.54 C ATOM 854 O SER A 58 9.791 -10.385 -1.919 1.00 62.43 O ATOM 855 CB SER A 58 6.472 -10.961 -2.861 1.00 15.34 C ATOM 856 OG SER A 58 6.415 -12.315 -2.448 1.00 71.35 O ATOM 0 H SER A 58 7.281 -8.087 -2.322 1.00 3.13 H new ATOM 0 HA SER A 58 7.475 -10.641 -0.987 1.00 62.41 H new ATOM 0 HB2 SER A 58 5.471 -10.529 -2.843 1.00 15.34 H new ATOM 0 HB3 SER A 58 6.824 -10.906 -3.891 1.00 15.34 H new ATOM 0 HG SER A 58 5.814 -12.813 -3.041 1.00 71.35 H new ATOM 862 N CYS A 59 8.855 -9.667 -3.835 1.00 3.51 N ATOM 863 CA CYS A 59 10.125 -9.554 -4.542 1.00 42.30 C ATOM 864 C CYS A 59 11.147 -8.788 -3.706 1.00 51.13 C ATOM 865 O CYS A 59 12.133 -9.358 -3.239 1.00 42.24 O ATOM 866 CB CYS A 59 9.923 -8.854 -5.888 1.00 2.05 C ATOM 867 SG CYS A 59 11.463 -8.249 -6.649 1.00 43.15 S ATOM 0 H CYS A 59 8.039 -9.408 -4.390 1.00 3.51 H new ATOM 0 HA CYS A 59 10.506 -10.560 -4.717 1.00 42.30 H new ATOM 0 HB2 CYS A 59 9.438 -9.546 -6.576 1.00 2.05 H new ATOM 0 HB3 CYS A 59 9.244 -8.013 -5.750 1.00 2.05 H new TER 872 CYS A 59