USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 893 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 88 THR OG1 : rot 162:sc= -0.26 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.756 K(o=-1.2,f=-2.5) USER MOD Set 1.3: A 91 GLN : amide:sc= -0.14 K(o=-1.2,f=-3.8) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.318 K(o=-2.1,f=-6.2!) USER MOD Set 2.2: A 75 ASN : amide:sc= -1.56 K(o=-2.1,f=-3.3!) USER MOD Set 2.3: A 100 MET CE :methyl 151:sc= -0.209 (180deg=-1.01) USER MOD Set 3.1: A 61 ASN : amide:sc= -0.0818 K(o=0.51,f=-1.2!) USER MOD Set 3.2: A 65 SER OG : rot 87:sc= 0.591 USER MOD Set 4.1: A 30 HIS : no HE2:sc= 0.0832 K(o=-0.029,f=-1.9!) USER MOD Set 4.2: A 37 CYS SG : rot 180:sc= -0.113 USER MOD Set 5.1: A 26 THR OG1 : rot -160:sc= 0.0909 USER MOD Set 5.2: A 71 LYS NZ :NH3+ -144:sc= 0.0924 (180deg=0) USER MOD Set 6.1: A 21 THR OG1 : rot 80:sc= 1.15 USER MOD Set 6.2: A 41 SER OG : rot -167:sc= -0.325 USER MOD Set 7.1: A 16 CYS SG : rot 72:sc= 1.61 USER MOD Set 7.2: A 59 TYR OH : rot -139:sc= 0.534 USER MOD Single : A 1 SER N :NH3+ 150:sc=0.000777 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc=0.000207 USER MOD Single : A 2 HIS : no HD1:sc=-0.00544 X(o=-0.0054,f=-0.0077) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 160:sc= 0.0678 USER MOD Single : A 14 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -164:sc= -0.081 (180deg=-0.563) USER MOD Single : A 25 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00995 X(o=-0.01,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 47 CYS SG : rot 79:sc= 0.914 USER MOD Single : A 54 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot -7:sc= 0.703 USER MOD Single : A 57 MET CE :methyl 160:sc= -0.179 (180deg=-0.695) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 0.327 (180deg=-0.661) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 84 CYS SG : rot -29:sc= 0.0684 USER MOD Single : A 95 MET CE :methyl 164:sc= -0.122 (180deg=-0.528) USER MOD Single : A 96 THR OG1 : rot -160:sc= -0.449 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 0.284 (180deg=-0.227) USER MOD Single : A 110 LYS NZ :NH3+ -173:sc=-0.00624 (180deg=-0.0725) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.763 13.440 16.126 1.00 2.00 N ATOM 2 CA SER A 1 -10.558 13.075 16.919 1.00 34.22 C ATOM 3 C SER A 1 -10.134 11.613 16.646 1.00 64.15 C ATOM 4 O SER A 1 -9.092 11.366 16.030 1.00 50.13 O ATOM 5 CB SER A 1 -10.821 13.295 18.432 1.00 71.50 C ATOM 6 OG SER A 1 -11.202 14.637 18.704 1.00 71.22 O ATOM 0 H1 SER A 1 -12.316 14.153 16.643 1.00 2.00 H new ATOM 0 H2 SER A 1 -11.469 13.829 15.207 1.00 2.00 H new ATOM 0 H3 SER A 1 -12.347 12.593 15.973 1.00 2.00 H new ATOM 0 HA SER A 1 -9.738 13.724 16.610 1.00 34.22 H new ATOM 0 HB2 SER A 1 -11.606 12.617 18.768 1.00 71.50 H new ATOM 0 HB3 SER A 1 -9.923 13.049 18.998 1.00 71.50 H new ATOM 0 HG SER A 1 -11.362 14.743 19.665 1.00 71.22 H new ATOM 14 N HIS A 2 -10.961 10.646 17.100 1.00 53.24 N ATOM 15 CA HIS A 2 -10.659 9.194 16.989 1.00 1.24 C ATOM 16 C HIS A 2 -11.242 8.568 15.681 1.00 25.42 C ATOM 17 O HIS A 2 -10.954 7.408 15.350 1.00 22.51 O ATOM 18 CB HIS A 2 -11.218 8.477 18.252 1.00 53.14 C ATOM 19 CG HIS A 2 -10.809 7.032 18.391 1.00 10.43 C ATOM 20 ND1 HIS A 2 -11.618 5.982 18.015 1.00 14.31 N ATOM 21 CD2 HIS A 2 -9.669 6.467 18.861 1.00 55.41 C ATOM 22 CE1 HIS A 2 -11.004 4.845 18.249 1.00 23.54 C ATOM 23 NE2 HIS A 2 -9.818 5.110 18.755 1.00 0.10 N ATOM 0 H HIS A 2 -11.854 10.844 17.552 1.00 53.24 H new ATOM 0 HA HIS A 2 -9.579 9.061 16.932 1.00 1.24 H new ATOM 0 HB2 HIS A 2 -10.888 9.020 19.137 1.00 53.14 H new ATOM 0 HB3 HIS A 2 -12.306 8.532 18.232 1.00 53.14 H new ATOM 0 HD2 HIS A 2 -8.806 6.989 19.246 1.00 55.41 H new ATOM 0 HE1 HIS A 2 -11.404 3.860 18.059 1.00 23.54 H new ATOM 0 HE2 HIS A 2 -9.121 4.416 19.025 1.00 0.10 H new ATOM 32 N MET A 3 -12.047 9.351 14.944 1.00 24.13 N ATOM 33 CA MET A 3 -12.719 8.892 13.705 1.00 31.51 C ATOM 34 C MET A 3 -11.726 8.777 12.508 1.00 31.41 C ATOM 35 O MET A 3 -10.797 9.590 12.397 1.00 64.12 O ATOM 36 CB MET A 3 -13.898 9.853 13.371 1.00 23.24 C ATOM 37 CG MET A 3 -15.063 9.772 14.369 1.00 61.42 C ATOM 38 SD MET A 3 -14.562 10.160 16.063 1.00 73.00 S ATOM 39 CE MET A 3 -16.020 9.693 16.994 1.00 73.31 C ATOM 0 H MET A 3 -12.254 10.320 15.185 1.00 24.13 H new ATOM 0 HA MET A 3 -13.110 7.889 13.877 1.00 31.51 H new ATOM 0 HB2 MET A 3 -13.524 10.877 13.345 1.00 23.24 H new ATOM 0 HB3 MET A 3 -14.270 9.624 12.372 1.00 23.24 H new ATOM 0 HG2 MET A 3 -15.849 10.462 14.060 1.00 61.42 H new ATOM 0 HG3 MET A 3 -15.490 8.769 14.342 1.00 61.42 H new ATOM 0 HE1 MET A 3 -15.850 9.880 18.054 1.00 73.31 H new ATOM 0 HE2 MET A 3 -16.872 10.281 16.654 1.00 73.31 H new ATOM 0 HE3 MET A 3 -16.226 8.634 16.840 1.00 73.31 H new ATOM 49 N PRO A 4 -11.910 7.755 11.592 1.00 2.13 N ATOM 50 CA PRO A 4 -10.998 7.529 10.428 1.00 10.32 C ATOM 51 C PRO A 4 -11.050 8.670 9.371 1.00 14.52 C ATOM 52 O PRO A 4 -12.032 9.421 9.300 1.00 14.42 O ATOM 53 CB PRO A 4 -11.509 6.183 9.837 1.00 4.41 C ATOM 54 CG PRO A 4 -12.951 6.119 10.237 1.00 71.13 C ATOM 55 CD PRO A 4 -13.014 6.745 11.614 1.00 44.24 C ATOM 0 HA PRO A 4 -9.951 7.508 10.731 1.00 10.32 H new ATOM 0 HB2 PRO A 4 -11.397 6.158 8.753 1.00 4.41 H new ATOM 0 HB3 PRO A 4 -10.949 5.337 10.235 1.00 4.41 H new ATOM 0 HG2 PRO A 4 -13.579 6.661 9.530 1.00 71.13 H new ATOM 0 HG3 PRO A 4 -13.308 5.089 10.257 1.00 71.13 H new ATOM 0 HD2 PRO A 4 -13.981 7.212 11.798 1.00 44.24 H new ATOM 0 HD3 PRO A 4 -12.864 6.004 12.399 1.00 44.24 H new ATOM 63 N VAL A 5 -9.990 8.772 8.542 1.00 3.35 N ATOM 64 CA VAL A 5 -9.840 9.859 7.547 1.00 73.43 C ATOM 65 C VAL A 5 -10.884 9.741 6.389 1.00 4.31 C ATOM 66 O VAL A 5 -11.118 8.643 5.865 1.00 25.35 O ATOM 67 CB VAL A 5 -8.366 9.924 6.977 1.00 45.02 C ATOM 68 CG1 VAL A 5 -7.363 10.199 8.119 1.00 22.35 C ATOM 69 CG2 VAL A 5 -7.974 8.649 6.180 1.00 10.51 C ATOM 0 H VAL A 5 -9.216 8.107 8.542 1.00 3.35 H new ATOM 0 HA VAL A 5 -10.038 10.795 8.070 1.00 73.43 H new ATOM 0 HB VAL A 5 -8.329 10.751 6.267 1.00 45.02 H new ATOM 0 HG11 VAL A 5 -6.352 10.241 7.713 1.00 22.35 H new ATOM 0 HG12 VAL A 5 -7.604 11.150 8.593 1.00 22.35 H new ATOM 0 HG13 VAL A 5 -7.424 9.400 8.857 1.00 22.35 H new ATOM 0 HG21 VAL A 5 -6.953 8.749 5.813 1.00 10.51 H new ATOM 0 HG22 VAL A 5 -8.041 7.778 6.831 1.00 10.51 H new ATOM 0 HG23 VAL A 5 -8.653 8.524 5.336 1.00 10.51 H new ATOM 79 N PRO A 6 -11.554 10.876 6.000 1.00 74.34 N ATOM 80 CA PRO A 6 -12.561 10.881 4.907 1.00 73.13 C ATOM 81 C PRO A 6 -11.910 10.834 3.502 1.00 71.44 C ATOM 82 O PRO A 6 -10.800 11.328 3.305 1.00 50.41 O ATOM 83 CB PRO A 6 -13.314 12.213 5.147 1.00 41.42 C ATOM 84 CG PRO A 6 -12.284 13.125 5.752 1.00 54.54 C ATOM 85 CD PRO A 6 -11.382 12.241 6.592 1.00 33.11 C ATOM 0 HA PRO A 6 -13.209 10.005 4.925 1.00 73.13 H new ATOM 0 HB2 PRO A 6 -13.706 12.620 4.215 1.00 41.42 H new ATOM 0 HB3 PRO A 6 -14.163 12.074 5.816 1.00 41.42 H new ATOM 0 HG2 PRO A 6 -11.715 13.638 4.977 1.00 54.54 H new ATOM 0 HG3 PRO A 6 -12.755 13.894 6.364 1.00 54.54 H new ATOM 0 HD2 PRO A 6 -10.344 12.569 6.542 1.00 33.11 H new ATOM 0 HD3 PRO A 6 -11.672 12.259 7.643 1.00 33.11 H new ATOM 93 N VAL A 7 -12.619 10.237 2.534 1.00 74.43 N ATOM 94 CA VAL A 7 -12.137 10.071 1.139 1.00 32.12 C ATOM 95 C VAL A 7 -12.356 11.357 0.290 1.00 3.23 C ATOM 96 O VAL A 7 -13.088 12.259 0.713 1.00 3.33 O ATOM 97 CB VAL A 7 -12.849 8.842 0.471 1.00 3.12 C ATOM 98 CG1 VAL A 7 -12.501 7.528 1.220 1.00 64.15 C ATOM 99 CG2 VAL A 7 -14.382 9.057 0.395 1.00 60.12 C ATOM 0 H VAL A 7 -13.550 9.850 2.689 1.00 74.43 H new ATOM 0 HA VAL A 7 -11.063 9.890 1.176 1.00 32.12 H new ATOM 0 HB VAL A 7 -12.479 8.753 -0.550 1.00 3.12 H new ATOM 0 HG11 VAL A 7 -13.006 6.690 0.739 1.00 64.15 H new ATOM 0 HG12 VAL A 7 -11.423 7.367 1.191 1.00 64.15 H new ATOM 0 HG13 VAL A 7 -12.829 7.602 2.257 1.00 64.15 H new ATOM 0 HG21 VAL A 7 -14.848 8.190 -0.072 1.00 60.12 H new ATOM 0 HG22 VAL A 7 -14.782 9.186 1.401 1.00 60.12 H new ATOM 0 HG23 VAL A 7 -14.596 9.947 -0.197 1.00 60.12 H new ATOM 109 N THR A 8 -11.683 11.416 -0.892 1.00 33.44 N ATOM 110 CA THR A 8 -11.771 12.543 -1.880 1.00 70.30 C ATOM 111 C THR A 8 -11.000 13.819 -1.407 1.00 63.23 C ATOM 112 O THR A 8 -10.823 14.050 -0.210 1.00 14.53 O ATOM 113 CB THR A 8 -13.268 12.911 -2.264 1.00 13.42 C ATOM 114 OG1 THR A 8 -13.965 11.733 -2.690 1.00 61.41 O ATOM 115 CG2 THR A 8 -13.375 13.970 -3.384 1.00 23.14 C ATOM 0 H THR A 8 -11.053 10.674 -1.196 1.00 33.44 H new ATOM 0 HA THR A 8 -11.282 12.171 -2.780 1.00 70.30 H new ATOM 0 HB THR A 8 -13.714 13.335 -1.364 1.00 13.42 H new ATOM 0 HG1 THR A 8 -14.888 11.966 -2.924 1.00 61.41 H new ATOM 0 HG21 THR A 8 -14.425 14.172 -3.594 1.00 23.14 H new ATOM 0 HG22 THR A 8 -12.885 14.890 -3.063 1.00 23.14 H new ATOM 0 HG23 THR A 8 -12.890 13.596 -4.286 1.00 23.14 H new ATOM 123 N CYS A 9 -10.540 14.638 -2.371 1.00 11.32 N ATOM 124 CA CYS A 9 -9.843 15.920 -2.096 1.00 34.44 C ATOM 125 C CYS A 9 -10.020 16.888 -3.288 1.00 44.34 C ATOM 126 O CYS A 9 -10.855 16.645 -4.168 1.00 30.43 O ATOM 127 CB CYS A 9 -8.345 15.657 -1.817 1.00 3.05 C ATOM 128 SG CYS A 9 -7.442 17.051 -1.096 1.00 42.32 S ATOM 0 H CYS A 9 -10.639 14.434 -3.366 1.00 11.32 H new ATOM 0 HA CYS A 9 -10.281 16.384 -1.212 1.00 34.44 H new ATOM 0 HB2 CYS A 9 -8.261 14.803 -1.145 1.00 3.05 H new ATOM 0 HB3 CYS A 9 -7.861 15.375 -2.752 1.00 3.05 H new ATOM 0 HG CYS A 9 -6.359 16.617 -0.522 1.00 42.32 H new ATOM 134 N ASP A 10 -9.250 17.997 -3.285 1.00 70.23 N ATOM 135 CA ASP A 10 -9.204 18.984 -4.384 1.00 4.31 C ATOM 136 C ASP A 10 -8.894 18.316 -5.756 1.00 33.14 C ATOM 137 O ASP A 10 -9.711 18.382 -6.682 1.00 14.00 O ATOM 138 CB ASP A 10 -8.143 20.063 -4.038 1.00 42.32 C ATOM 139 CG ASP A 10 -8.052 21.190 -5.080 1.00 43.44 C ATOM 140 OD1 ASP A 10 -8.871 22.133 -5.018 1.00 61.21 O ATOM 141 OD2 ASP A 10 -7.167 21.137 -5.960 1.00 61.51 O ATOM 0 H ASP A 10 -8.634 18.235 -2.508 1.00 70.23 H new ATOM 0 HA ASP A 10 -10.186 19.447 -4.483 1.00 4.31 H new ATOM 0 HB2 ASP A 10 -8.380 20.496 -3.066 1.00 42.32 H new ATOM 0 HB3 ASP A 10 -7.168 19.585 -3.945 1.00 42.32 H new ATOM 146 N ALA A 11 -7.720 17.659 -5.862 1.00 30.34 N ATOM 147 CA ALA A 11 -7.255 17.048 -7.130 1.00 13.14 C ATOM 148 C ALA A 11 -6.217 15.924 -6.891 1.00 24.42 C ATOM 149 O ALA A 11 -6.483 14.748 -7.176 1.00 24.41 O ATOM 150 CB ALA A 11 -6.670 18.140 -8.055 1.00 72.52 C ATOM 0 H ALA A 11 -7.073 17.537 -5.083 1.00 30.34 H new ATOM 0 HA ALA A 11 -8.117 16.587 -7.613 1.00 13.14 H new ATOM 0 HB1 ALA A 11 -6.330 17.685 -8.985 1.00 72.52 H new ATOM 0 HB2 ALA A 11 -7.438 18.882 -8.273 1.00 72.52 H new ATOM 0 HB3 ALA A 11 -5.829 18.624 -7.559 1.00 72.52 H new ATOM 156 N VAL A 12 -5.050 16.307 -6.337 1.00 23.54 N ATOM 157 CA VAL A 12 -3.861 15.423 -6.221 1.00 53.33 C ATOM 158 C VAL A 12 -4.113 14.212 -5.283 1.00 44.04 C ATOM 159 O VAL A 12 -4.021 13.061 -5.715 1.00 55.10 O ATOM 160 CB VAL A 12 -2.598 16.234 -5.730 1.00 21.34 C ATOM 161 CG1 VAL A 12 -1.321 15.354 -5.685 1.00 12.03 C ATOM 162 CG2 VAL A 12 -2.384 17.492 -6.608 1.00 71.41 C ATOM 0 H VAL A 12 -4.899 17.240 -5.954 1.00 23.54 H new ATOM 0 HA VAL A 12 -3.667 15.031 -7.220 1.00 53.33 H new ATOM 0 HB VAL A 12 -2.793 16.558 -4.707 1.00 21.34 H new ATOM 0 HG11 VAL A 12 -0.478 15.954 -5.342 1.00 12.03 H new ATOM 0 HG12 VAL A 12 -1.477 14.521 -4.999 1.00 12.03 H new ATOM 0 HG13 VAL A 12 -1.110 14.968 -6.682 1.00 12.03 H new ATOM 0 HG21 VAL A 12 -1.509 18.038 -6.254 1.00 71.41 H new ATOM 0 HG22 VAL A 12 -2.229 17.191 -7.644 1.00 71.41 H new ATOM 0 HG23 VAL A 12 -3.263 18.134 -6.544 1.00 71.41 H new ATOM 172 N ARG A 13 -4.447 14.500 -4.007 1.00 21.12 N ATOM 173 CA ARG A 13 -4.731 13.464 -2.973 1.00 53.44 C ATOM 174 C ARG A 13 -5.952 12.585 -3.363 1.00 41.13 C ATOM 175 O ARG A 13 -6.011 11.409 -3.004 1.00 61.31 O ATOM 176 CB ARG A 13 -4.927 14.159 -1.581 1.00 32.11 C ATOM 177 CG ARG A 13 -5.219 13.220 -0.360 1.00 14.13 C ATOM 178 CD ARG A 13 -6.728 12.990 -0.096 1.00 5.02 C ATOM 179 NE ARG A 13 -6.974 11.963 0.916 1.00 5.45 N ATOM 180 CZ ARG A 13 -8.080 11.799 1.609 1.00 62.41 C ATOM 181 NH1 ARG A 13 -9.101 12.592 1.465 1.00 44.14 N ATOM 182 NH2 ARG A 13 -8.163 10.813 2.440 1.00 54.12 N ATOM 0 H ARG A 13 -4.529 15.455 -3.658 1.00 21.12 H new ATOM 0 HA ARG A 13 -3.879 12.787 -2.906 1.00 53.44 H new ATOM 0 HB2 ARG A 13 -4.029 14.736 -1.359 1.00 32.11 H new ATOM 0 HB3 ARG A 13 -5.749 14.869 -1.668 1.00 32.11 H new ATOM 0 HG2 ARG A 13 -4.739 12.257 -0.531 1.00 14.13 H new ATOM 0 HG3 ARG A 13 -4.764 13.649 0.533 1.00 14.13 H new ATOM 0 HD2 ARG A 13 -7.183 13.927 0.225 1.00 5.02 H new ATOM 0 HD3 ARG A 13 -7.216 12.701 -1.027 1.00 5.02 H new ATOM 0 HE ARG A 13 -6.213 11.310 1.103 1.00 5.45 H new ATOM 0 HH11 ARG A 13 -9.057 13.365 0.801 1.00 44.14 H new ATOM 0 HH12 ARG A 13 -9.946 12.441 2.016 1.00 44.14 H new ATOM 0 HH21 ARG A 13 -7.377 10.173 2.552 1.00 54.12 H new ATOM 0 HH22 ARG A 13 -9.015 10.674 2.984 1.00 54.12 H new ATOM 196 N ASN A 14 -6.918 13.172 -4.108 1.00 34.03 N ATOM 197 CA ASN A 14 -8.109 12.439 -4.605 1.00 74.52 C ATOM 198 C ASN A 14 -7.695 11.313 -5.585 1.00 24.23 C ATOM 199 O ASN A 14 -8.122 10.160 -5.438 1.00 51.43 O ATOM 200 CB ASN A 14 -9.091 13.420 -5.298 1.00 54.20 C ATOM 201 CG ASN A 14 -10.409 12.765 -5.738 1.00 30.43 C ATOM 202 OD1 ASN A 14 -10.908 11.848 -5.100 1.00 72.54 O ATOM 203 ND2 ASN A 14 -10.983 13.232 -6.830 1.00 55.33 N ATOM 0 H ASN A 14 -6.896 14.155 -4.380 1.00 34.03 H new ATOM 0 HA ASN A 14 -8.610 11.981 -3.752 1.00 74.52 H new ATOM 0 HB2 ASN A 14 -9.313 14.241 -4.616 1.00 54.20 H new ATOM 0 HB3 ASN A 14 -8.602 13.854 -6.170 1.00 54.20 H new ATOM 0 HD21 ASN A 14 -11.860 12.828 -7.158 1.00 55.33 H new ATOM 0 HD22 ASN A 14 -10.550 13.997 -7.347 1.00 55.33 H new ATOM 210 N LYS A 15 -6.848 11.669 -6.571 1.00 11.23 N ATOM 211 CA LYS A 15 -6.359 10.716 -7.591 1.00 2.42 C ATOM 212 C LYS A 15 -5.346 9.706 -6.995 1.00 12.43 C ATOM 213 O LYS A 15 -5.294 8.556 -7.426 1.00 4.43 O ATOM 214 CB LYS A 15 -5.741 11.476 -8.785 1.00 5.25 C ATOM 215 CG LYS A 15 -5.364 10.567 -9.984 1.00 25.30 C ATOM 216 CD LYS A 15 -4.963 11.371 -11.233 1.00 42.32 C ATOM 217 CE LYS A 15 -4.608 10.481 -12.438 1.00 45.31 C ATOM 218 NZ LYS A 15 -4.270 11.293 -13.635 1.00 34.32 N ATOM 0 H LYS A 15 -6.486 12.616 -6.684 1.00 11.23 H new ATOM 0 HA LYS A 15 -7.215 10.143 -7.947 1.00 2.42 H new ATOM 0 HB2 LYS A 15 -6.447 12.234 -9.125 1.00 5.25 H new ATOM 0 HB3 LYS A 15 -4.848 12.001 -8.445 1.00 5.25 H new ATOM 0 HG2 LYS A 15 -4.539 9.915 -9.696 1.00 25.30 H new ATOM 0 HG3 LYS A 15 -6.209 9.923 -10.227 1.00 25.30 H new ATOM 0 HD2 LYS A 15 -5.782 12.035 -11.509 1.00 42.32 H new ATOM 0 HD3 LYS A 15 -4.108 12.003 -10.992 1.00 42.32 H new ATOM 0 HE2 LYS A 15 -3.764 9.840 -12.182 1.00 45.31 H new ATOM 0 HE3 LYS A 15 -5.448 9.826 -12.667 1.00 45.31 H new ATOM 0 HZ1 LYS A 15 -4.036 10.662 -14.428 1.00 34.32 H new ATOM 0 HZ2 LYS A 15 -5.084 11.886 -13.893 1.00 34.32 H new ATOM 0 HZ3 LYS A 15 -3.453 11.900 -13.423 1.00 34.32 H new ATOM 232 N CYS A 16 -4.545 10.154 -6.005 1.00 51.54 N ATOM 233 CA CYS A 16 -3.608 9.272 -5.258 1.00 11.24 C ATOM 234 C CYS A 16 -4.380 8.156 -4.523 1.00 65.34 C ATOM 235 O CYS A 16 -4.022 6.983 -4.623 1.00 14.21 O ATOM 236 CB CYS A 16 -2.754 10.089 -4.259 1.00 25.43 C ATOM 237 SG CYS A 16 -1.674 11.306 -5.048 1.00 43.44 S ATOM 0 H CYS A 16 -4.525 11.127 -5.699 1.00 51.54 H new ATOM 0 HA CYS A 16 -2.935 8.809 -5.980 1.00 11.24 H new ATOM 0 HB2 CYS A 16 -3.418 10.603 -3.563 1.00 25.43 H new ATOM 0 HB3 CYS A 16 -2.144 9.403 -3.671 1.00 25.43 H new ATOM 0 HG CYS A 16 -2.389 12.293 -5.499 1.00 43.44 H new ATOM 243 N ARG A 17 -5.459 8.551 -3.819 1.00 14.42 N ATOM 244 CA ARG A 17 -6.411 7.622 -3.158 1.00 22.33 C ATOM 245 C ARG A 17 -6.980 6.596 -4.176 1.00 31.13 C ATOM 246 O ARG A 17 -7.028 5.397 -3.891 1.00 54.44 O ATOM 247 CB ARG A 17 -7.547 8.458 -2.464 1.00 73.33 C ATOM 248 CG ARG A 17 -8.700 7.659 -1.764 1.00 74.33 C ATOM 249 CD ARG A 17 -9.904 7.366 -2.692 1.00 23.15 C ATOM 250 NE ARG A 17 -10.993 6.666 -1.988 1.00 75.04 N ATOM 251 CZ ARG A 17 -12.241 6.563 -2.418 1.00 64.54 C ATOM 252 NH1 ARG A 17 -12.614 7.045 -3.552 1.00 60.31 N ATOM 253 NH2 ARG A 17 -13.113 5.958 -1.697 1.00 15.12 N ATOM 0 H ARG A 17 -5.701 9.533 -3.689 1.00 14.42 H new ATOM 0 HA ARG A 17 -5.891 7.045 -2.393 1.00 22.33 H new ATOM 0 HB2 ARG A 17 -7.083 9.104 -1.719 1.00 73.33 H new ATOM 0 HB3 ARG A 17 -7.995 9.108 -3.215 1.00 73.33 H new ATOM 0 HG2 ARG A 17 -8.302 6.715 -1.391 1.00 74.33 H new ATOM 0 HG3 ARG A 17 -9.048 8.223 -0.899 1.00 74.33 H new ATOM 0 HD2 ARG A 17 -10.282 8.303 -3.101 1.00 23.15 H new ATOM 0 HD3 ARG A 17 -9.571 6.761 -3.536 1.00 23.15 H new ATOM 0 HE ARG A 17 -10.767 6.225 -1.097 1.00 75.04 H new ATOM 0 HH11 ARG A 17 -11.940 7.524 -4.149 1.00 60.31 H new ATOM 0 HH12 ARG A 17 -13.584 6.948 -3.853 1.00 60.31 H new ATOM 0 HH21 ARG A 17 -12.843 5.559 -0.798 1.00 15.12 H new ATOM 0 HH22 ARG A 17 -14.076 5.876 -2.023 1.00 15.12 H new ATOM 267 N GLU A 18 -7.391 7.094 -5.366 1.00 23.12 N ATOM 268 CA GLU A 18 -7.911 6.252 -6.476 1.00 75.24 C ATOM 269 C GLU A 18 -6.881 5.196 -6.960 1.00 31.12 C ATOM 270 O GLU A 18 -7.214 4.021 -7.097 1.00 40.43 O ATOM 271 CB GLU A 18 -8.345 7.141 -7.680 1.00 22.34 C ATOM 272 CG GLU A 18 -9.591 8.019 -7.442 1.00 53.21 C ATOM 273 CD GLU A 18 -10.858 7.193 -7.163 1.00 44.22 C ATOM 274 OE1 GLU A 18 -11.406 6.587 -8.109 1.00 43.44 O ATOM 275 OE2 GLU A 18 -11.296 7.124 -6.000 1.00 44.14 O ATOM 0 H GLU A 18 -7.373 8.090 -5.586 1.00 23.12 H new ATOM 0 HA GLU A 18 -8.773 5.716 -6.079 1.00 75.24 H new ATOM 0 HB2 GLU A 18 -7.511 7.789 -7.950 1.00 22.34 H new ATOM 0 HB3 GLU A 18 -8.536 6.494 -8.536 1.00 22.34 H new ATOM 0 HG2 GLU A 18 -9.405 8.686 -6.600 1.00 53.21 H new ATOM 0 HG3 GLU A 18 -9.758 8.649 -8.316 1.00 53.21 H new ATOM 282 N MET A 19 -5.636 5.643 -7.214 1.00 71.43 N ATOM 283 CA MET A 19 -4.570 4.807 -7.824 1.00 2.42 C ATOM 284 C MET A 19 -3.982 3.765 -6.835 1.00 40.31 C ATOM 285 O MET A 19 -3.602 2.663 -7.246 1.00 52.24 O ATOM 286 CB MET A 19 -3.450 5.711 -8.400 1.00 12.22 C ATOM 287 CG MET A 19 -3.876 6.614 -9.574 1.00 54.35 C ATOM 288 SD MET A 19 -2.510 7.601 -10.239 1.00 52.31 S ATOM 289 CE MET A 19 -2.015 8.583 -8.817 1.00 50.44 C ATOM 0 H MET A 19 -5.335 6.595 -7.004 1.00 71.43 H new ATOM 0 HA MET A 19 -5.029 4.239 -8.633 1.00 2.42 H new ATOM 0 HB2 MET A 19 -3.065 6.341 -7.598 1.00 12.22 H new ATOM 0 HB3 MET A 19 -2.627 5.077 -8.730 1.00 12.22 H new ATOM 0 HG2 MET A 19 -4.291 5.995 -10.370 1.00 54.35 H new ATOM 0 HG3 MET A 19 -4.671 7.281 -9.242 1.00 54.35 H new ATOM 0 HE1 MET A 19 -1.395 9.416 -9.148 1.00 50.44 H new ATOM 0 HE2 MET A 19 -2.902 8.968 -8.314 1.00 50.44 H new ATOM 0 HE3 MET A 19 -1.447 7.961 -8.125 1.00 50.44 H new ATOM 299 N LEU A 20 -3.906 4.126 -5.541 1.00 3.45 N ATOM 300 CA LEU A 20 -3.466 3.194 -4.471 1.00 34.42 C ATOM 301 C LEU A 20 -4.525 2.083 -4.237 1.00 13.32 C ATOM 302 O LEU A 20 -4.173 0.912 -4.077 1.00 13.42 O ATOM 303 CB LEU A 20 -3.181 3.971 -3.156 1.00 4.14 C ATOM 304 CG LEU A 20 -1.994 4.992 -3.194 1.00 32.42 C ATOM 305 CD1 LEU A 20 -1.925 5.819 -1.883 1.00 23.21 C ATOM 306 CD2 LEU A 20 -0.647 4.282 -3.489 1.00 3.21 C ATOM 0 H LEU A 20 -4.143 5.059 -5.204 1.00 3.45 H new ATOM 0 HA LEU A 20 -2.541 2.715 -4.793 1.00 34.42 H new ATOM 0 HB2 LEU A 20 -4.086 4.509 -2.874 1.00 4.14 H new ATOM 0 HB3 LEU A 20 -2.983 3.246 -2.367 1.00 4.14 H new ATOM 0 HG LEU A 20 -2.181 5.687 -4.012 1.00 32.42 H new ATOM 0 HD11 LEU A 20 -1.092 6.519 -1.938 1.00 23.21 H new ATOM 0 HD12 LEU A 20 -2.855 6.372 -1.752 1.00 23.21 H new ATOM 0 HD13 LEU A 20 -1.780 5.148 -1.037 1.00 23.21 H new ATOM 0 HD21 LEU A 20 0.156 5.019 -3.509 1.00 3.21 H new ATOM 0 HD22 LEU A 20 -0.445 3.546 -2.711 1.00 3.21 H new ATOM 0 HD23 LEU A 20 -0.704 3.781 -4.456 1.00 3.21 H new ATOM 318 N THR A 21 -5.823 2.469 -4.241 1.00 75.33 N ATOM 319 CA THR A 21 -6.960 1.504 -4.188 1.00 41.01 C ATOM 320 C THR A 21 -6.987 0.611 -5.459 1.00 52.03 C ATOM 321 O THR A 21 -7.303 -0.586 -5.389 1.00 63.02 O ATOM 322 CB THR A 21 -8.351 2.230 -4.050 1.00 40.33 C ATOM 323 OG1 THR A 21 -8.339 3.138 -2.938 1.00 2.10 O ATOM 324 CG2 THR A 21 -9.515 1.234 -3.857 1.00 21.10 C ATOM 0 H THR A 21 -6.115 3.445 -4.280 1.00 75.33 H new ATOM 0 HA THR A 21 -6.800 0.888 -3.303 1.00 41.01 H new ATOM 0 HB THR A 21 -8.509 2.773 -4.982 1.00 40.33 H new ATOM 0 HG1 THR A 21 -7.887 3.968 -3.198 1.00 2.10 H new ATOM 0 HG21 THR A 21 -10.452 1.783 -3.767 1.00 21.10 H new ATOM 0 HG22 THR A 21 -9.567 0.565 -4.716 1.00 21.10 H new ATOM 0 HG23 THR A 21 -9.348 0.650 -2.952 1.00 21.10 H new ATOM 332 N ALA A 22 -6.638 1.219 -6.615 1.00 31.33 N ATOM 333 CA ALA A 22 -6.561 0.522 -7.920 1.00 60.42 C ATOM 334 C ALA A 22 -5.450 -0.556 -7.927 1.00 14.03 C ATOM 335 O ALA A 22 -5.600 -1.607 -8.559 1.00 22.25 O ATOM 336 CB ALA A 22 -6.347 1.529 -9.058 1.00 15.44 C ATOM 0 H ALA A 22 -6.401 2.210 -6.670 1.00 31.33 H new ATOM 0 HA ALA A 22 -7.512 0.014 -8.079 1.00 60.42 H new ATOM 0 HB1 ALA A 22 -6.293 0.998 -10.008 1.00 15.44 H new ATOM 0 HB2 ALA A 22 -7.179 2.233 -9.082 1.00 15.44 H new ATOM 0 HB3 ALA A 22 -5.417 2.073 -8.893 1.00 15.44 H new ATOM 342 N ALA A 23 -4.343 -0.276 -7.217 1.00 64.21 N ATOM 343 CA ALA A 23 -3.230 -1.235 -7.024 1.00 42.13 C ATOM 344 C ALA A 23 -3.679 -2.469 -6.202 1.00 64.14 C ATOM 345 O ALA A 23 -3.270 -3.600 -6.475 1.00 21.50 O ATOM 346 CB ALA A 23 -2.062 -0.529 -6.326 1.00 52.31 C ATOM 0 H ALA A 23 -4.190 0.622 -6.758 1.00 64.21 H new ATOM 0 HA ALA A 23 -2.911 -1.591 -8.003 1.00 42.13 H new ATOM 0 HB1 ALA A 23 -1.243 -1.234 -6.184 1.00 52.31 H new ATOM 0 HB2 ALA A 23 -1.721 0.304 -6.940 1.00 52.31 H new ATOM 0 HB3 ALA A 23 -2.390 -0.154 -5.357 1.00 52.31 H new ATOM 352 N LEU A 24 -4.546 -2.215 -5.205 1.00 53.41 N ATOM 353 CA LEU A 24 -5.100 -3.257 -4.308 1.00 0.21 C ATOM 354 C LEU A 24 -6.227 -4.102 -4.976 1.00 0.32 C ATOM 355 O LEU A 24 -6.698 -5.084 -4.394 1.00 23.23 O ATOM 356 CB LEU A 24 -5.624 -2.584 -3.011 1.00 3.32 C ATOM 357 CG LEU A 24 -4.572 -1.771 -2.185 1.00 4.21 C ATOM 358 CD1 LEU A 24 -5.222 -1.094 -0.952 1.00 20.33 C ATOM 359 CD2 LEU A 24 -3.369 -2.655 -1.777 1.00 32.53 C ATOM 0 H LEU A 24 -4.887 -1.277 -4.994 1.00 53.41 H new ATOM 0 HA LEU A 24 -4.295 -3.954 -4.076 1.00 0.21 H new ATOM 0 HB2 LEU A 24 -6.442 -1.915 -3.278 1.00 3.32 H new ATOM 0 HB3 LEU A 24 -6.042 -3.358 -2.367 1.00 3.32 H new ATOM 0 HG LEU A 24 -4.191 -0.979 -2.829 1.00 4.21 H new ATOM 0 HD11 LEU A 24 -4.464 -0.538 -0.401 1.00 20.33 H new ATOM 0 HD12 LEU A 24 -6.005 -0.411 -1.282 1.00 20.33 H new ATOM 0 HD13 LEU A 24 -5.655 -1.856 -0.305 1.00 20.33 H new ATOM 0 HD21 LEU A 24 -2.657 -2.060 -1.205 1.00 32.53 H new ATOM 0 HD22 LEU A 24 -3.719 -3.487 -1.166 1.00 32.53 H new ATOM 0 HD23 LEU A 24 -2.882 -3.042 -2.672 1.00 32.53 H new ATOM 371 N GLN A 25 -6.664 -3.698 -6.189 1.00 75.21 N ATOM 372 CA GLN A 25 -7.714 -4.413 -6.969 1.00 12.24 C ATOM 373 C GLN A 25 -7.225 -4.785 -8.394 1.00 43.13 C ATOM 374 O GLN A 25 -8.025 -5.258 -9.218 1.00 52.30 O ATOM 375 CB GLN A 25 -9.002 -3.534 -7.069 1.00 71.23 C ATOM 376 CG GLN A 25 -8.853 -2.267 -7.934 1.00 34.53 C ATOM 377 CD GLN A 25 -10.141 -1.460 -8.147 1.00 2.42 C ATOM 378 OE1 GLN A 25 -10.323 -0.851 -9.194 1.00 71.20 O ATOM 379 NE2 GLN A 25 -11.019 -1.404 -7.162 1.00 63.43 N ATOM 0 H GLN A 25 -6.303 -2.868 -6.660 1.00 75.21 H new ATOM 0 HA GLN A 25 -7.939 -5.339 -6.439 1.00 12.24 H new ATOM 0 HB2 GLN A 25 -9.810 -4.142 -7.476 1.00 71.23 H new ATOM 0 HB3 GLN A 25 -9.302 -3.238 -6.064 1.00 71.23 H new ATOM 0 HG2 GLN A 25 -8.110 -1.617 -7.472 1.00 34.53 H new ATOM 0 HG3 GLN A 25 -8.461 -2.557 -8.909 1.00 34.53 H new ATOM 0 HE21 GLN A 25 -10.849 -1.918 -6.298 1.00 63.43 H new ATOM 0 HE22 GLN A 25 -11.867 -0.846 -7.266 1.00 63.43 H new ATOM 388 N THR A 26 -5.903 -4.623 -8.655 1.00 74.51 N ATOM 389 CA THR A 26 -5.313 -4.699 -10.029 1.00 75.42 C ATOM 390 C THR A 26 -5.583 -6.053 -10.735 1.00 0.55 C ATOM 391 O THR A 26 -5.653 -6.115 -11.966 1.00 4.12 O ATOM 392 CB THR A 26 -3.771 -4.401 -10.019 1.00 64.24 C ATOM 393 OG1 THR A 26 -3.261 -4.273 -11.363 1.00 3.22 O ATOM 394 CG2 THR A 26 -2.969 -5.484 -9.276 1.00 53.14 C ATOM 0 H THR A 26 -5.213 -4.437 -7.927 1.00 74.51 H new ATOM 0 HA THR A 26 -5.820 -3.924 -10.603 1.00 75.42 H new ATOM 0 HB THR A 26 -3.645 -3.458 -9.486 1.00 64.24 H new ATOM 0 HG1 THR A 26 -2.290 -4.406 -11.358 1.00 3.22 H new ATOM 0 HG21 THR A 26 -1.909 -5.231 -9.298 1.00 53.14 H new ATOM 0 HG22 THR A 26 -3.307 -5.542 -8.241 1.00 53.14 H new ATOM 0 HG23 THR A 26 -3.122 -6.448 -9.762 1.00 53.14 H new ATOM 402 N ASP A 27 -5.739 -7.119 -9.936 1.00 1.31 N ATOM 403 CA ASP A 27 -6.152 -8.447 -10.420 1.00 45.51 C ATOM 404 C ASP A 27 -6.848 -9.221 -9.263 1.00 51.42 C ATOM 405 O ASP A 27 -6.443 -10.331 -8.887 1.00 42.12 O ATOM 406 CB ASP A 27 -4.918 -9.204 -11.001 1.00 24.05 C ATOM 407 CG ASP A 27 -5.267 -10.516 -11.726 1.00 43.51 C ATOM 408 OD1 ASP A 27 -6.175 -10.515 -12.587 1.00 62.24 O ATOM 409 OD2 ASP A 27 -4.624 -11.551 -11.451 1.00 71.24 O ATOM 0 H ASP A 27 -5.581 -7.085 -8.929 1.00 1.31 H new ATOM 0 HA ASP A 27 -6.875 -8.353 -11.230 1.00 45.51 H new ATOM 0 HB2 ASP A 27 -4.396 -8.546 -11.696 1.00 24.05 H new ATOM 0 HB3 ASP A 27 -4.225 -9.424 -10.189 1.00 24.05 H new ATOM 414 N HIS A 28 -7.889 -8.570 -8.679 1.00 70.31 N ATOM 415 CA HIS A 28 -8.750 -9.152 -7.606 1.00 22.11 C ATOM 416 C HIS A 28 -7.962 -9.513 -6.310 1.00 64.34 C ATOM 417 O HIS A 28 -8.327 -10.454 -5.589 1.00 41.34 O ATOM 418 CB HIS A 28 -9.544 -10.386 -8.143 1.00 51.24 C ATOM 419 CG HIS A 28 -10.597 -10.065 -9.169 1.00 63.21 C ATOM 420 ND1 HIS A 28 -11.081 -10.987 -10.071 1.00 53.22 N ATOM 421 CD2 HIS A 28 -11.303 -8.934 -9.386 1.00 20.12 C ATOM 422 CE1 HIS A 28 -12.022 -10.431 -10.802 1.00 42.43 C ATOM 423 NE2 HIS A 28 -12.180 -9.192 -10.403 1.00 2.05 N ATOM 0 H HIS A 28 -8.159 -7.621 -8.939 1.00 70.31 H new ATOM 0 HA HIS A 28 -9.457 -8.373 -7.321 1.00 22.11 H new ATOM 0 HB2 HIS A 28 -8.837 -11.093 -8.578 1.00 51.24 H new ATOM 0 HB3 HIS A 28 -10.020 -10.888 -7.301 1.00 51.24 H new ATOM 0 HD2 HIS A 28 -11.195 -8.000 -8.855 1.00 20.12 H new ATOM 0 HE1 HIS A 28 -12.572 -10.913 -11.597 1.00 42.43 H new ATOM 0 HE2 HIS A 28 -12.850 -8.527 -10.789 1.00 2.05 H new ATOM 432 N ASP A 29 -6.933 -8.703 -5.990 1.00 23.22 N ATOM 433 CA ASP A 29 -6.012 -8.946 -4.845 1.00 34.01 C ATOM 434 C ASP A 29 -6.773 -8.940 -3.489 1.00 73.11 C ATOM 435 O ASP A 29 -6.676 -9.885 -2.700 1.00 55.15 O ATOM 436 CB ASP A 29 -4.897 -7.865 -4.817 1.00 72.22 C ATOM 437 CG ASP A 29 -4.235 -7.647 -6.181 1.00 43.03 C ATOM 438 OD1 ASP A 29 -4.849 -6.953 -7.023 1.00 43.44 O ATOM 439 OD2 ASP A 29 -3.125 -8.179 -6.429 1.00 62.32 O ATOM 0 H ASP A 29 -6.711 -7.858 -6.516 1.00 23.22 H new ATOM 0 HA ASP A 29 -5.567 -9.931 -4.984 1.00 34.01 H new ATOM 0 HB2 ASP A 29 -5.322 -6.923 -4.472 1.00 72.22 H new ATOM 0 HB3 ASP A 29 -4.136 -8.156 -4.093 1.00 72.22 H new ATOM 444 N HIS A 30 -7.546 -7.859 -3.248 1.00 52.13 N ATOM 445 CA HIS A 30 -8.357 -7.702 -2.011 1.00 72.04 C ATOM 446 C HIS A 30 -9.575 -8.657 -1.987 1.00 44.43 C ATOM 447 O HIS A 30 -10.054 -9.023 -0.919 1.00 63.31 O ATOM 448 CB HIS A 30 -8.831 -6.233 -1.854 1.00 21.32 C ATOM 449 CG HIS A 30 -9.883 -5.800 -2.847 1.00 42.34 C ATOM 450 ND1 HIS A 30 -11.201 -5.588 -2.510 1.00 62.02 N ATOM 451 CD2 HIS A 30 -9.804 -5.542 -4.172 1.00 35.22 C ATOM 452 CE1 HIS A 30 -11.874 -5.221 -3.572 1.00 45.50 C ATOM 453 NE2 HIS A 30 -11.054 -5.185 -4.592 1.00 75.11 N ATOM 0 H HIS A 30 -7.628 -7.075 -3.896 1.00 52.13 H new ATOM 0 HA HIS A 30 -7.714 -7.966 -1.171 1.00 72.04 H new ATOM 0 HB2 HIS A 30 -9.224 -6.098 -0.846 1.00 21.32 H new ATOM 0 HB3 HIS A 30 -7.968 -5.575 -1.950 1.00 21.32 H new ATOM 0 HD1 HIS A 30 -11.594 -5.700 -1.575 1.00 62.02 H new ATOM 0 HD2 HIS A 30 -8.917 -5.606 -4.785 1.00 35.22 H new ATOM 0 HE1 HIS A 30 -12.928 -4.987 -3.601 1.00 45.50 H new ATOM 462 N VAL A 31 -10.054 -9.051 -3.186 1.00 20.21 N ATOM 463 CA VAL A 31 -11.252 -9.913 -3.357 1.00 35.32 C ATOM 464 C VAL A 31 -10.991 -11.350 -2.845 1.00 3.20 C ATOM 465 O VAL A 31 -11.898 -12.003 -2.315 1.00 62.22 O ATOM 466 CB VAL A 31 -11.704 -9.949 -4.867 1.00 50.21 C ATOM 467 CG1 VAL A 31 -12.984 -10.792 -5.081 1.00 54.51 C ATOM 468 CG2 VAL A 31 -11.890 -8.518 -5.413 1.00 1.45 C ATOM 0 H VAL A 31 -9.621 -8.781 -4.069 1.00 20.21 H new ATOM 0 HA VAL A 31 -12.055 -9.480 -2.760 1.00 35.32 H new ATOM 0 HB VAL A 31 -10.907 -10.438 -5.428 1.00 50.21 H new ATOM 0 HG11 VAL A 31 -13.252 -10.784 -6.137 1.00 54.51 H new ATOM 0 HG12 VAL A 31 -12.802 -11.818 -4.760 1.00 54.51 H new ATOM 0 HG13 VAL A 31 -13.801 -10.369 -4.496 1.00 54.51 H new ATOM 0 HG21 VAL A 31 -12.202 -8.564 -6.456 1.00 1.45 H new ATOM 0 HG22 VAL A 31 -12.652 -8.002 -4.829 1.00 1.45 H new ATOM 0 HG23 VAL A 31 -10.948 -7.975 -5.340 1.00 1.45 H new ATOM 478 N ALA A 32 -9.740 -11.818 -3.011 1.00 51.41 N ATOM 479 CA ALA A 32 -9.274 -13.128 -2.494 1.00 0.54 C ATOM 480 C ALA A 32 -9.434 -13.237 -0.954 1.00 3.11 C ATOM 481 O ALA A 32 -9.765 -14.297 -0.420 1.00 4.33 O ATOM 482 CB ALA A 32 -7.804 -13.344 -2.900 1.00 72.24 C ATOM 0 H ALA A 32 -9.017 -11.299 -3.509 1.00 51.41 H new ATOM 0 HA ALA A 32 -9.896 -13.907 -2.934 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -7.459 -14.306 -2.521 1.00 72.24 H new ATOM 0 HB2 ALA A 32 -7.721 -13.331 -3.987 1.00 72.24 H new ATOM 0 HB3 ALA A 32 -7.190 -12.548 -2.480 1.00 72.24 H new ATOM 488 N ILE A 33 -9.217 -12.106 -0.269 1.00 5.24 N ATOM 489 CA ILE A 33 -9.289 -12.003 1.211 1.00 62.13 C ATOM 490 C ILE A 33 -10.665 -11.420 1.673 1.00 74.25 C ATOM 491 O ILE A 33 -11.043 -11.548 2.838 1.00 20.24 O ATOM 492 CB ILE A 33 -8.095 -11.096 1.714 1.00 25.21 C ATOM 493 CG1 ILE A 33 -6.741 -11.645 1.143 1.00 3.51 C ATOM 494 CG2 ILE A 33 -8.036 -10.986 3.262 1.00 4.22 C ATOM 495 CD1 ILE A 33 -5.520 -10.811 1.456 1.00 13.05 C ATOM 0 H ILE A 33 -8.984 -11.223 -0.723 1.00 5.24 H new ATOM 0 HA ILE A 33 -9.202 -12.999 1.646 1.00 62.13 H new ATOM 0 HB ILE A 33 -8.268 -10.086 1.341 1.00 25.21 H new ATOM 0 HG12 ILE A 33 -6.583 -12.651 1.533 1.00 3.51 H new ATOM 0 HG13 ILE A 33 -6.832 -11.733 0.060 1.00 3.51 H new ATOM 0 HG21 ILE A 33 -7.198 -10.352 3.550 1.00 4.22 H new ATOM 0 HG22 ILE A 33 -8.964 -10.550 3.631 1.00 4.22 H new ATOM 0 HG23 ILE A 33 -7.905 -11.979 3.693 1.00 4.22 H new ATOM 0 HD11 ILE A 33 -4.638 -11.277 1.016 1.00 13.05 H new ATOM 0 HD12 ILE A 33 -5.646 -9.811 1.041 1.00 13.05 H new ATOM 0 HD13 ILE A 33 -5.393 -10.742 2.536 1.00 13.05 H new ATOM 507 N GLY A 34 -11.407 -10.797 0.732 1.00 54.03 N ATOM 508 CA GLY A 34 -12.672 -10.096 1.042 1.00 72.20 C ATOM 509 C GLY A 34 -12.462 -8.727 1.723 1.00 4.20 C ATOM 510 O GLY A 34 -13.411 -8.141 2.258 1.00 25.54 O ATOM 0 H GLY A 34 -11.149 -10.766 -0.254 1.00 54.03 H new ATOM 0 HA2 GLY A 34 -13.235 -9.952 0.120 1.00 72.20 H new ATOM 0 HA3 GLY A 34 -13.279 -10.727 1.691 1.00 72.20 H new ATOM 514 N ALA A 35 -11.216 -8.220 1.675 1.00 24.24 N ATOM 515 CA ALA A 35 -10.796 -6.972 2.356 1.00 13.04 C ATOM 516 C ALA A 35 -11.265 -5.707 1.606 1.00 42.02 C ATOM 517 O ALA A 35 -11.188 -5.648 0.376 1.00 42.42 O ATOM 518 CB ALA A 35 -9.270 -6.971 2.487 1.00 42.33 C ATOM 0 H ALA A 35 -10.460 -8.668 1.157 1.00 24.24 H new ATOM 0 HA ALA A 35 -11.264 -6.947 3.340 1.00 13.04 H new ATOM 0 HB1 ALA A 35 -8.948 -6.057 2.987 1.00 42.33 H new ATOM 0 HB2 ALA A 35 -8.954 -7.835 3.072 1.00 42.33 H new ATOM 0 HB3 ALA A 35 -8.820 -7.020 1.496 1.00 42.33 H new ATOM 524 N ASP A 36 -11.746 -4.690 2.356 1.00 14.42 N ATOM 525 CA ASP A 36 -12.190 -3.400 1.774 1.00 34.22 C ATOM 526 C ASP A 36 -10.978 -2.502 1.443 1.00 72.32 C ATOM 527 O ASP A 36 -10.490 -1.754 2.300 1.00 60.53 O ATOM 528 CB ASP A 36 -13.160 -2.667 2.726 1.00 21.24 C ATOM 529 CG ASP A 36 -14.340 -3.546 3.148 1.00 70.15 C ATOM 530 OD1 ASP A 36 -15.308 -3.676 2.373 1.00 12.15 O ATOM 531 OD2 ASP A 36 -14.292 -4.133 4.247 1.00 22.23 O ATOM 0 H ASP A 36 -11.837 -4.737 3.371 1.00 14.42 H new ATOM 0 HA ASP A 36 -12.722 -3.617 0.848 1.00 34.22 H new ATOM 0 HB2 ASP A 36 -12.617 -2.342 3.614 1.00 21.24 H new ATOM 0 HB3 ASP A 36 -13.536 -1.769 2.236 1.00 21.24 H new ATOM 536 N CYS A 37 -10.507 -2.587 0.186 1.00 72.50 N ATOM 537 CA CYS A 37 -9.299 -1.862 -0.292 1.00 12.51 C ATOM 538 C CYS A 37 -9.456 -0.322 -0.233 1.00 54.40 C ATOM 539 O CYS A 37 -8.458 0.399 -0.186 1.00 62.43 O ATOM 540 CB CYS A 37 -8.969 -2.298 -1.733 1.00 61.55 C ATOM 541 SG CYS A 37 -10.308 -2.043 -2.919 1.00 3.02 S ATOM 0 H CYS A 37 -10.948 -3.159 -0.534 1.00 72.50 H new ATOM 0 HA CYS A 37 -8.482 -2.124 0.380 1.00 12.51 H new ATOM 0 HB2 CYS A 37 -8.091 -1.749 -2.073 1.00 61.55 H new ATOM 0 HB3 CYS A 37 -8.702 -3.355 -1.727 1.00 61.55 H new ATOM 0 HG CYS A 37 -9.926 -2.440 -4.096 1.00 3.02 H new ATOM 547 N GLU A 38 -10.719 0.152 -0.232 1.00 4.21 N ATOM 548 CA GLU A 38 -11.065 1.591 -0.142 1.00 22.33 C ATOM 549 C GLU A 38 -10.519 2.258 1.159 1.00 11.25 C ATOM 550 O GLU A 38 -9.830 3.285 1.095 1.00 72.04 O ATOM 551 CB GLU A 38 -12.609 1.736 -0.223 1.00 33.23 C ATOM 552 CG GLU A 38 -13.140 3.176 -0.040 1.00 1.52 C ATOM 553 CD GLU A 38 -14.667 3.286 -0.180 1.00 71.40 C ATOM 554 OE1 GLU A 38 -15.389 2.695 0.648 1.00 4.43 O ATOM 555 OE2 GLU A 38 -15.154 3.944 -1.124 1.00 21.02 O ATOM 0 H GLU A 38 -11.536 -0.456 -0.294 1.00 4.21 H new ATOM 0 HA GLU A 38 -10.590 2.110 -0.974 1.00 22.33 H new ATOM 0 HB2 GLU A 38 -12.944 1.361 -1.190 1.00 33.23 H new ATOM 0 HB3 GLU A 38 -13.059 1.099 0.539 1.00 33.23 H new ATOM 0 HG2 GLU A 38 -12.845 3.542 0.944 1.00 1.52 H new ATOM 0 HG3 GLU A 38 -12.667 3.826 -0.776 1.00 1.52 H new ATOM 562 N ARG A 39 -10.832 1.653 2.331 1.00 4.14 N ATOM 563 CA ARG A 39 -10.358 2.161 3.648 1.00 32.30 C ATOM 564 C ARG A 39 -8.863 1.845 3.872 1.00 42.50 C ATOM 565 O ARG A 39 -8.146 2.662 4.446 1.00 0.23 O ATOM 566 CB ARG A 39 -11.220 1.612 4.827 1.00 45.53 C ATOM 567 CG ARG A 39 -11.399 0.075 4.871 1.00 65.03 C ATOM 568 CD ARG A 39 -12.108 -0.400 6.155 1.00 33.12 C ATOM 569 NE ARG A 39 -12.572 -1.801 6.069 1.00 4.43 N ATOM 570 CZ ARG A 39 -12.588 -2.665 7.064 1.00 5.12 C ATOM 571 NH1 ARG A 39 -12.060 -2.387 8.209 1.00 31.43 N ATOM 572 NH2 ARG A 39 -13.132 -3.819 6.895 1.00 32.33 N ATOM 0 H ARG A 39 -11.409 0.814 2.394 1.00 4.14 H new ATOM 0 HA ARG A 39 -10.475 3.244 3.628 1.00 32.30 H new ATOM 0 HB2 ARG A 39 -10.766 1.933 5.765 1.00 45.53 H new ATOM 0 HB3 ARG A 39 -12.207 2.073 4.776 1.00 45.53 H new ATOM 0 HG2 ARG A 39 -11.974 -0.246 4.002 1.00 65.03 H new ATOM 0 HG3 ARG A 39 -10.422 -0.404 4.801 1.00 65.03 H new ATOM 0 HD2 ARG A 39 -11.426 -0.299 6.999 1.00 33.12 H new ATOM 0 HD3 ARG A 39 -12.961 0.249 6.355 1.00 33.12 H new ATOM 0 HE ARG A 39 -12.908 -2.127 5.163 1.00 4.43 H new ATOM 0 HH11 ARG A 39 -11.617 -1.481 8.360 1.00 31.43 H new ATOM 0 HH12 ARG A 39 -12.086 -3.074 8.963 1.00 31.43 H new ATOM 0 HH21 ARG A 39 -13.547 -4.060 5.995 1.00 32.33 H new ATOM 0 HH22 ARG A 39 -13.148 -4.492 7.661 1.00 32.33 H new ATOM 586 N LEU A 40 -8.403 0.670 3.389 1.00 60.42 N ATOM 587 CA LEU A 40 -6.989 0.234 3.528 1.00 45.05 C ATOM 588 C LEU A 40 -6.018 1.229 2.851 1.00 12.23 C ATOM 589 O LEU A 40 -5.020 1.625 3.448 1.00 5.44 O ATOM 590 CB LEU A 40 -6.809 -1.192 2.943 1.00 42.42 C ATOM 591 CG LEU A 40 -7.643 -2.310 3.647 1.00 72.31 C ATOM 592 CD1 LEU A 40 -7.485 -3.670 2.939 1.00 42.11 C ATOM 593 CD2 LEU A 40 -7.292 -2.417 5.148 1.00 72.14 C ATOM 0 H LEU A 40 -8.993 -0.000 2.895 1.00 60.42 H new ATOM 0 HA LEU A 40 -6.746 0.213 4.590 1.00 45.05 H new ATOM 0 HB2 LEU A 40 -7.078 -1.171 1.887 1.00 42.42 H new ATOM 0 HB3 LEU A 40 -5.754 -1.459 2.998 1.00 42.42 H new ATOM 0 HG LEU A 40 -8.692 -2.023 3.572 1.00 72.31 H new ATOM 0 HD11 LEU A 40 -8.080 -4.422 3.458 1.00 42.11 H new ATOM 0 HD12 LEU A 40 -7.827 -3.585 1.908 1.00 42.11 H new ATOM 0 HD13 LEU A 40 -6.436 -3.966 2.950 1.00 42.11 H new ATOM 0 HD21 LEU A 40 -7.891 -3.204 5.606 1.00 72.14 H new ATOM 0 HD22 LEU A 40 -6.234 -2.655 5.258 1.00 72.14 H new ATOM 0 HD23 LEU A 40 -7.504 -1.468 5.640 1.00 72.14 H new ATOM 605 N SER A 41 -6.363 1.639 1.615 1.00 33.25 N ATOM 606 CA SER A 41 -5.616 2.663 0.834 1.00 15.41 C ATOM 607 C SER A 41 -5.504 4.000 1.599 1.00 71.31 C ATOM 608 O SER A 41 -4.417 4.574 1.697 1.00 64.12 O ATOM 609 CB SER A 41 -6.323 2.903 -0.518 1.00 44.23 C ATOM 610 OG SER A 41 -5.738 3.963 -1.255 1.00 64.24 O ATOM 0 H SER A 41 -7.175 1.270 1.120 1.00 33.25 H new ATOM 0 HA SER A 41 -4.607 2.284 0.670 1.00 15.41 H new ATOM 0 HB2 SER A 41 -6.287 1.989 -1.111 1.00 44.23 H new ATOM 0 HB3 SER A 41 -7.375 3.126 -0.340 1.00 44.23 H new ATOM 0 HG SER A 41 -6.335 4.219 -1.989 1.00 64.24 H new ATOM 616 N ALA A 42 -6.644 4.459 2.156 1.00 72.43 N ATOM 617 CA ALA A 42 -6.735 5.723 2.930 1.00 65.05 C ATOM 618 C ALA A 42 -5.874 5.686 4.223 1.00 4.14 C ATOM 619 O ALA A 42 -5.355 6.716 4.660 1.00 35.35 O ATOM 620 CB ALA A 42 -8.206 6.024 3.265 1.00 44.41 C ATOM 0 H ALA A 42 -7.533 3.964 2.083 1.00 72.43 H new ATOM 0 HA ALA A 42 -6.334 6.523 2.308 1.00 65.05 H new ATOM 0 HB1 ALA A 42 -8.267 6.952 3.833 1.00 44.41 H new ATOM 0 HB2 ALA A 42 -8.776 6.125 2.342 1.00 44.41 H new ATOM 0 HB3 ALA A 42 -8.618 5.208 3.858 1.00 44.41 H new ATOM 626 N GLN A 43 -5.741 4.486 4.822 1.00 74.21 N ATOM 627 CA GLN A 43 -4.926 4.269 6.041 1.00 73.22 C ATOM 628 C GLN A 43 -3.404 4.217 5.744 1.00 11.23 C ATOM 629 O GLN A 43 -2.598 4.702 6.545 1.00 52.02 O ATOM 630 CB GLN A 43 -5.392 2.987 6.774 1.00 50.12 C ATOM 631 CG GLN A 43 -6.835 3.059 7.318 1.00 24.24 C ATOM 632 CD GLN A 43 -7.278 1.829 8.119 1.00 75.45 C ATOM 633 OE1 GLN A 43 -6.374 1.236 8.884 1.00 10.32 O flip ATOM 634 NE2 GLN A 43 -8.440 1.446 8.087 1.00 65.33 N flip ATOM 0 H GLN A 43 -6.193 3.639 4.478 1.00 74.21 H new ATOM 0 HA GLN A 43 -5.083 5.130 6.691 1.00 73.22 H new ATOM 0 HB2 GLN A 43 -5.315 2.142 6.089 1.00 50.12 H new ATOM 0 HB3 GLN A 43 -4.713 2.788 7.603 1.00 50.12 H new ATOM 0 HG2 GLN A 43 -6.927 3.941 7.952 1.00 24.24 H new ATOM 0 HG3 GLN A 43 -7.519 3.196 6.480 1.00 24.24 H new ATOM 0 HE21 GLN A 43 -9.117 1.920 7.489 1.00 65.33 H new ATOM 0 HE22 GLN A 43 -8.731 0.653 8.658 1.00 65.33 H new ATOM 643 N ILE A 44 -3.014 3.604 4.606 1.00 74.10 N ATOM 644 CA ILE A 44 -1.605 3.634 4.117 1.00 62.31 C ATOM 645 C ILE A 44 -1.192 5.099 3.829 1.00 10.03 C ATOM 646 O ILE A 44 -0.103 5.561 4.209 1.00 21.42 O ATOM 647 CB ILE A 44 -1.436 2.778 2.795 1.00 4.02 C ATOM 648 CG1 ILE A 44 -1.905 1.303 3.018 1.00 22.12 C ATOM 649 CG2 ILE A 44 0.029 2.818 2.269 1.00 30.10 C ATOM 650 CD1 ILE A 44 -1.956 0.444 1.759 1.00 74.11 C ATOM 0 H ILE A 44 -3.650 3.081 4.004 1.00 74.10 H new ATOM 0 HA ILE A 44 -0.968 3.204 4.890 1.00 62.31 H new ATOM 0 HB ILE A 44 -2.073 3.227 2.033 1.00 4.02 H new ATOM 0 HG12 ILE A 44 -1.235 0.829 3.736 1.00 22.12 H new ATOM 0 HG13 ILE A 44 -2.897 1.318 3.470 1.00 22.12 H new ATOM 0 HG21 ILE A 44 0.106 2.220 1.361 1.00 30.10 H new ATOM 0 HG22 ILE A 44 0.309 3.848 2.049 1.00 30.10 H new ATOM 0 HG23 ILE A 44 0.699 2.414 3.028 1.00 30.10 H new ATOM 0 HD11 ILE A 44 -2.292 -0.560 2.017 1.00 74.11 H new ATOM 0 HD12 ILE A 44 -2.650 0.887 1.044 1.00 74.11 H new ATOM 0 HD13 ILE A 44 -0.962 0.391 1.314 1.00 74.11 H new ATOM 662 N GLU A 45 -2.131 5.800 3.180 1.00 1.14 N ATOM 663 CA GLU A 45 -2.012 7.207 2.785 1.00 71.11 C ATOM 664 C GLU A 45 -1.835 8.145 4.006 1.00 2.11 C ATOM 665 O GLU A 45 -0.939 8.975 4.005 1.00 14.11 O ATOM 666 CB GLU A 45 -3.276 7.599 1.985 1.00 60.35 C ATOM 667 CG GLU A 45 -3.338 9.062 1.502 1.00 74.44 C ATOM 668 CD GLU A 45 -4.745 9.450 1.025 1.00 53.50 C ATOM 669 OE1 GLU A 45 -5.670 9.458 1.877 1.00 23.43 O ATOM 670 OE2 GLU A 45 -4.944 9.740 -0.175 1.00 61.43 O ATOM 0 H GLU A 45 -3.023 5.388 2.907 1.00 1.14 H new ATOM 0 HA GLU A 45 -1.119 7.322 2.170 1.00 71.11 H new ATOM 0 HB2 GLU A 45 -3.350 6.946 1.116 1.00 60.35 H new ATOM 0 HB3 GLU A 45 -4.151 7.404 2.605 1.00 60.35 H new ATOM 0 HG2 GLU A 45 -3.034 9.725 2.312 1.00 74.44 H new ATOM 0 HG3 GLU A 45 -2.627 9.206 0.689 1.00 74.44 H new ATOM 677 N GLU A 46 -2.684 7.988 5.053 1.00 10.24 N ATOM 678 CA GLU A 46 -2.687 8.905 6.231 1.00 30.22 C ATOM 679 C GLU A 46 -1.350 8.836 7.031 1.00 3.42 C ATOM 680 O GLU A 46 -0.895 9.842 7.583 1.00 53.03 O ATOM 681 CB GLU A 46 -3.900 8.624 7.175 1.00 23.32 C ATOM 682 CG GLU A 46 -3.797 7.334 8.016 1.00 64.44 C ATOM 683 CD GLU A 46 -4.970 7.127 8.995 1.00 55.14 C ATOM 684 OE1 GLU A 46 -5.143 7.968 9.904 1.00 4.14 O ATOM 685 OE2 GLU A 46 -5.690 6.110 8.884 1.00 70.32 O ATOM 0 H GLU A 46 -3.374 7.239 5.110 1.00 10.24 H new ATOM 0 HA GLU A 46 -2.787 9.916 5.836 1.00 30.22 H new ATOM 0 HB2 GLU A 46 -4.016 9.471 7.852 1.00 23.32 H new ATOM 0 HB3 GLU A 46 -4.805 8.572 6.570 1.00 23.32 H new ATOM 0 HG2 GLU A 46 -3.743 6.478 7.344 1.00 64.44 H new ATOM 0 HG3 GLU A 46 -2.865 7.355 8.581 1.00 64.44 H new ATOM 692 N CYS A 47 -0.734 7.640 7.072 1.00 31.51 N ATOM 693 CA CYS A 47 0.547 7.418 7.784 1.00 25.24 C ATOM 694 C CYS A 47 1.716 8.141 7.071 1.00 64.11 C ATOM 695 O CYS A 47 2.474 8.891 7.697 1.00 73.55 O ATOM 696 CB CYS A 47 0.830 5.904 7.909 1.00 73.15 C ATOM 697 SG CYS A 47 -0.448 4.995 8.812 1.00 12.24 S ATOM 0 H CYS A 47 -1.103 6.804 6.618 1.00 31.51 H new ATOM 0 HA CYS A 47 0.461 7.841 8.785 1.00 25.24 H new ATOM 0 HB2 CYS A 47 0.929 5.478 6.910 1.00 73.15 H new ATOM 0 HB3 CYS A 47 1.787 5.763 8.411 1.00 73.15 H new ATOM 0 HG CYS A 47 -1.467 4.788 8.031 1.00 12.24 H new ATOM 703 N ILE A 48 1.825 7.936 5.744 1.00 1.21 N ATOM 704 CA ILE A 48 2.880 8.564 4.906 1.00 62.12 C ATOM 705 C ILE A 48 2.623 10.093 4.704 1.00 10.44 C ATOM 706 O ILE A 48 3.561 10.871 4.485 1.00 0.14 O ATOM 707 CB ILE A 48 3.011 7.805 3.520 1.00 5.31 C ATOM 708 CG1 ILE A 48 4.303 8.231 2.752 1.00 55.24 C ATOM 709 CG2 ILE A 48 1.751 7.986 2.635 1.00 75.21 C ATOM 710 CD1 ILE A 48 4.557 7.465 1.466 1.00 62.44 C ATOM 0 H ILE A 48 1.190 7.334 5.219 1.00 1.21 H new ATOM 0 HA ILE A 48 3.830 8.472 5.433 1.00 62.12 H new ATOM 0 HB ILE A 48 3.095 6.743 3.750 1.00 5.31 H new ATOM 0 HG12 ILE A 48 4.237 9.294 2.519 1.00 55.24 H new ATOM 0 HG13 ILE A 48 5.161 8.102 3.412 1.00 55.24 H new ATOM 0 HG21 ILE A 48 1.886 7.449 1.696 1.00 75.21 H new ATOM 0 HG22 ILE A 48 0.880 7.591 3.157 1.00 75.21 H new ATOM 0 HG23 ILE A 48 1.600 9.046 2.429 1.00 75.21 H new ATOM 0 HD11 ILE A 48 5.474 7.828 1.002 1.00 62.44 H new ATOM 0 HD12 ILE A 48 4.659 6.403 1.689 1.00 62.44 H new ATOM 0 HD13 ILE A 48 3.721 7.614 0.783 1.00 62.44 H new ATOM 722 N PHE A 49 1.340 10.505 4.830 1.00 22.04 N ATOM 723 CA PHE A 49 0.879 11.907 4.635 1.00 11.44 C ATOM 724 C PHE A 49 1.516 12.898 5.650 1.00 12.54 C ATOM 725 O PHE A 49 1.616 14.096 5.365 1.00 41.52 O ATOM 726 CB PHE A 49 -0.677 11.967 4.725 1.00 10.04 C ATOM 727 CG PHE A 49 -1.321 13.294 4.293 1.00 60.34 C ATOM 728 CD1 PHE A 49 -1.668 13.518 2.959 1.00 23.52 C ATOM 729 CD2 PHE A 49 -1.578 14.316 5.216 1.00 25.34 C ATOM 730 CE1 PHE A 49 -2.250 14.708 2.565 1.00 45.34 C ATOM 731 CE2 PHE A 49 -2.160 15.505 4.819 1.00 3.51 C ATOM 732 CZ PHE A 49 -2.494 15.703 3.494 1.00 41.54 C ATOM 0 H PHE A 49 0.582 9.867 5.073 1.00 22.04 H new ATOM 0 HA PHE A 49 1.207 12.220 3.644 1.00 11.44 H new ATOM 0 HB2 PHE A 49 -1.089 11.168 4.109 1.00 10.04 H new ATOM 0 HB3 PHE A 49 -0.971 11.760 5.754 1.00 10.04 H new ATOM 0 HD1 PHE A 49 -1.479 12.750 2.224 1.00 23.52 H new ATOM 0 HD2 PHE A 49 -1.317 14.173 6.254 1.00 25.34 H new ATOM 0 HE1 PHE A 49 -2.515 14.861 1.529 1.00 45.34 H new ATOM 0 HE2 PHE A 49 -2.354 16.280 5.546 1.00 3.51 H new ATOM 0 HZ PHE A 49 -2.945 16.634 3.183 1.00 41.54 H new ATOM 742 N ARG A 50 1.923 12.387 6.823 1.00 43.52 N ATOM 743 CA ARG A 50 2.539 13.198 7.898 1.00 11.25 C ATOM 744 C ARG A 50 3.780 13.994 7.398 1.00 75.00 C ATOM 745 O ARG A 50 3.789 15.227 7.437 1.00 12.23 O ATOM 746 CB ARG A 50 2.918 12.277 9.096 1.00 60.34 C ATOM 747 CG ARG A 50 1.724 11.566 9.792 1.00 1.25 C ATOM 748 CD ARG A 50 0.783 12.532 10.560 1.00 12.45 C ATOM 749 NE ARG A 50 -0.060 13.350 9.666 1.00 24.10 N ATOM 750 CZ ARG A 50 -0.719 14.444 10.002 1.00 11.34 C ATOM 751 NH1 ARG A 50 -0.632 14.960 11.189 1.00 14.43 N ATOM 752 NH2 ARG A 50 -1.473 15.015 9.119 1.00 62.34 N ATOM 0 H ARG A 50 1.836 11.398 7.058 1.00 43.52 H new ATOM 0 HA ARG A 50 1.806 13.935 8.225 1.00 11.25 H new ATOM 0 HB2 ARG A 50 3.615 11.518 8.742 1.00 60.34 H new ATOM 0 HB3 ARG A 50 3.447 12.874 9.839 1.00 60.34 H new ATOM 0 HG2 ARG A 50 1.144 11.029 9.041 1.00 1.25 H new ATOM 0 HG3 ARG A 50 2.112 10.821 10.487 1.00 1.25 H new ATOM 0 HD2 ARG A 50 0.142 11.953 11.225 1.00 12.45 H new ATOM 0 HD3 ARG A 50 1.382 13.191 11.188 1.00 12.45 H new ATOM 0 HE ARG A 50 -0.141 13.041 8.697 1.00 24.10 H new ATOM 0 HH11 ARG A 50 -0.041 14.520 11.895 1.00 14.43 H new ATOM 0 HH12 ARG A 50 -1.154 15.806 11.417 1.00 14.43 H new ATOM 0 HH21 ARG A 50 -1.551 14.619 8.182 1.00 62.34 H new ATOM 0 HH22 ARG A 50 -1.990 15.861 9.360 1.00 62.34 H new ATOM 766 N ASP A 51 4.803 13.270 6.925 1.00 52.14 N ATOM 767 CA ASP A 51 6.052 13.874 6.394 1.00 74.11 C ATOM 768 C ASP A 51 5.948 14.162 4.878 1.00 51.53 C ATOM 769 O ASP A 51 6.183 15.284 4.418 1.00 31.31 O ATOM 770 CB ASP A 51 7.236 12.914 6.667 1.00 14.31 C ATOM 771 CG ASP A 51 7.341 12.532 8.148 1.00 34.14 C ATOM 772 OD1 ASP A 51 6.625 11.605 8.582 1.00 43.00 O ATOM 773 OD2 ASP A 51 8.113 13.169 8.897 1.00 42.11 O ATOM 0 H ASP A 51 4.797 12.250 6.896 1.00 52.14 H new ATOM 0 HA ASP A 51 6.214 14.826 6.900 1.00 74.11 H new ATOM 0 HB2 ASP A 51 7.115 12.011 6.068 1.00 14.31 H new ATOM 0 HB3 ASP A 51 8.165 13.386 6.348 1.00 14.31 H new ATOM 778 N VAL A 52 5.589 13.115 4.121 1.00 3.34 N ATOM 779 CA VAL A 52 5.648 13.097 2.639 1.00 74.41 C ATOM 780 C VAL A 52 4.378 13.702 1.970 1.00 50.51 C ATOM 781 O VAL A 52 4.412 14.055 0.793 1.00 43.35 O ATOM 782 CB VAL A 52 5.898 11.613 2.138 1.00 33.43 C ATOM 783 CG1 VAL A 52 6.046 11.514 0.606 1.00 3.11 C ATOM 784 CG2 VAL A 52 7.133 11.001 2.836 1.00 23.32 C ATOM 0 H VAL A 52 5.244 12.242 4.519 1.00 3.34 H new ATOM 0 HA VAL A 52 6.479 13.734 2.337 1.00 74.41 H new ATOM 0 HB VAL A 52 5.011 11.041 2.409 1.00 33.43 H new ATOM 0 HG11 VAL A 52 6.215 10.475 0.323 1.00 3.11 H new ATOM 0 HG12 VAL A 52 5.136 11.877 0.128 1.00 3.11 H new ATOM 0 HG13 VAL A 52 6.892 12.120 0.282 1.00 3.11 H new ATOM 0 HG21 VAL A 52 7.286 9.983 2.478 1.00 23.32 H new ATOM 0 HG22 VAL A 52 8.014 11.602 2.610 1.00 23.32 H new ATOM 0 HG23 VAL A 52 6.971 10.986 3.914 1.00 23.32 H new ATOM 794 N GLY A 53 3.286 13.890 2.739 1.00 72.23 N ATOM 795 CA GLY A 53 1.997 14.406 2.196 1.00 13.05 C ATOM 796 C GLY A 53 1.956 15.923 1.902 1.00 2.21 C ATOM 797 O GLY A 53 0.905 16.554 2.009 1.00 50.22 O ATOM 0 H GLY A 53 3.264 13.694 3.740 1.00 72.23 H new ATOM 0 HA2 GLY A 53 1.771 13.869 1.275 1.00 13.05 H new ATOM 0 HA3 GLY A 53 1.204 14.170 2.906 1.00 13.05 H new ATOM 801 N ASN A 54 3.110 16.482 1.520 1.00 1.52 N ATOM 802 CA ASN A 54 3.314 17.909 1.189 1.00 42.25 C ATOM 803 C ASN A 54 3.206 18.182 -0.343 1.00 12.05 C ATOM 804 O ASN A 54 3.619 19.251 -0.808 1.00 41.22 O ATOM 805 CB ASN A 54 4.713 18.333 1.737 1.00 33.42 C ATOM 806 CG ASN A 54 5.838 17.328 1.411 1.00 60.45 C ATOM 807 OD1 ASN A 54 5.846 16.687 0.369 1.00 72.43 O ATOM 808 ND2 ASN A 54 6.773 17.150 2.318 1.00 51.40 N ATOM 0 H ASN A 54 3.966 15.936 1.427 1.00 1.52 H new ATOM 0 HA ASN A 54 2.526 18.501 1.655 1.00 42.25 H new ATOM 0 HB2 ASN A 54 4.976 19.306 1.322 1.00 33.42 H new ATOM 0 HB3 ASN A 54 4.648 18.454 2.818 1.00 33.42 H new ATOM 0 HD21 ASN A 54 7.517 16.471 2.157 1.00 51.40 H new ATOM 0 HD22 ASN A 54 6.755 17.691 3.182 1.00 51.40 H new ATOM 815 N THR A 55 2.678 17.186 -1.105 1.00 44.23 N ATOM 816 CA THR A 55 2.469 17.240 -2.590 1.00 25.43 C ATOM 817 C THR A 55 3.758 17.547 -3.401 1.00 43.23 C ATOM 818 O THR A 55 3.687 17.917 -4.577 1.00 63.32 O ATOM 819 CB THR A 55 1.308 18.223 -3.030 1.00 33.30 C ATOM 820 OG1 THR A 55 1.600 19.588 -2.669 1.00 11.21 O ATOM 821 CG2 THR A 55 -0.048 17.817 -2.422 1.00 33.10 C ATOM 0 H THR A 55 2.377 16.300 -0.700 1.00 44.23 H new ATOM 0 HA THR A 55 2.163 16.223 -2.837 1.00 25.43 H new ATOM 0 HB THR A 55 1.243 18.150 -4.116 1.00 33.30 H new ATOM 0 HG1 THR A 55 2.415 19.615 -2.125 1.00 11.21 H new ATOM 0 HG21 THR A 55 -0.817 18.517 -2.748 1.00 33.10 H new ATOM 0 HG22 THR A 55 -0.308 16.811 -2.752 1.00 33.10 H new ATOM 0 HG23 THR A 55 0.021 17.835 -1.334 1.00 33.10 H new ATOM 829 N ASP A 56 4.929 17.332 -2.776 1.00 73.34 N ATOM 830 CA ASP A 56 6.246 17.535 -3.417 1.00 54.54 C ATOM 831 C ASP A 56 6.569 16.375 -4.409 1.00 71.31 C ATOM 832 O ASP A 56 5.826 15.394 -4.490 1.00 60.22 O ATOM 833 CB ASP A 56 7.312 17.662 -2.290 1.00 4.55 C ATOM 834 CG ASP A 56 8.740 17.920 -2.794 1.00 0.21 C ATOM 835 OD1 ASP A 56 8.991 19.006 -3.346 1.00 13.51 O ATOM 836 OD2 ASP A 56 9.602 17.020 -2.671 1.00 61.03 O ATOM 0 H ASP A 56 4.992 17.012 -1.810 1.00 73.34 H new ATOM 0 HA ASP A 56 6.245 18.448 -4.013 1.00 54.54 H new ATOM 0 HB2 ASP A 56 7.023 18.474 -1.623 1.00 4.55 H new ATOM 0 HB3 ASP A 56 7.308 16.747 -1.698 1.00 4.55 H new ATOM 841 N MET A 57 7.666 16.509 -5.187 1.00 13.12 N ATOM 842 CA MET A 57 8.184 15.420 -6.055 1.00 11.03 C ATOM 843 C MET A 57 8.480 14.120 -5.256 1.00 62.11 C ATOM 844 O MET A 57 8.416 13.026 -5.816 1.00 64.50 O ATOM 845 CB MET A 57 9.460 15.874 -6.805 1.00 21.33 C ATOM 846 CG MET A 57 9.261 17.048 -7.772 1.00 71.44 C ATOM 847 SD MET A 57 10.759 17.437 -8.710 1.00 73.51 S ATOM 848 CE MET A 57 11.039 15.915 -9.625 1.00 32.24 C ATOM 0 H MET A 57 8.216 17.367 -5.233 1.00 13.12 H new ATOM 0 HA MET A 57 7.400 15.196 -6.778 1.00 11.03 H new ATOM 0 HB2 MET A 57 10.215 16.152 -6.070 1.00 21.33 H new ATOM 0 HB3 MET A 57 9.856 15.026 -7.364 1.00 21.33 H new ATOM 0 HG2 MET A 57 8.454 16.810 -8.465 1.00 71.44 H new ATOM 0 HG3 MET A 57 8.950 17.928 -7.210 1.00 71.44 H new ATOM 0 HE1 MET A 57 11.684 16.118 -10.480 1.00 32.24 H new ATOM 0 HE2 MET A 57 11.518 15.183 -8.975 1.00 32.24 H new ATOM 0 HE3 MET A 57 10.085 15.520 -9.975 1.00 32.24 H new ATOM 858 N LYS A 58 8.817 14.261 -3.951 1.00 71.15 N ATOM 859 CA LYS A 58 8.998 13.106 -3.033 1.00 51.22 C ATOM 860 C LYS A 58 7.673 12.312 -2.883 1.00 44.02 C ATOM 861 O LYS A 58 7.679 11.091 -2.858 1.00 5.21 O ATOM 862 CB LYS A 58 9.526 13.564 -1.631 1.00 11.24 C ATOM 863 CG LYS A 58 8.481 14.264 -0.719 1.00 54.12 C ATOM 864 CD LYS A 58 9.015 14.653 0.689 1.00 3.21 C ATOM 865 CE LYS A 58 9.737 16.017 0.740 1.00 35.24 C ATOM 866 NZ LYS A 58 10.895 16.110 -0.185 1.00 22.11 N ATOM 0 H LYS A 58 8.970 15.167 -3.507 1.00 71.15 H new ATOM 0 HA LYS A 58 9.749 12.450 -3.473 1.00 51.22 H new ATOM 0 HB2 LYS A 58 9.914 12.692 -1.106 1.00 11.24 H new ATOM 0 HB3 LYS A 58 10.364 14.244 -1.782 1.00 11.24 H new ATOM 0 HG2 LYS A 58 8.124 15.164 -1.220 1.00 54.12 H new ATOM 0 HG3 LYS A 58 7.622 13.604 -0.599 1.00 54.12 H new ATOM 0 HD2 LYS A 58 8.180 14.671 1.389 1.00 3.21 H new ATOM 0 HD3 LYS A 58 9.702 13.879 1.031 1.00 3.21 H new ATOM 0 HE2 LYS A 58 9.024 16.805 0.498 1.00 35.24 H new ATOM 0 HE3 LYS A 58 10.080 16.200 1.758 1.00 35.24 H new ATOM 0 HZ1 LYS A 58 11.559 16.832 0.161 1.00 22.11 H new ATOM 0 HZ2 LYS A 58 11.378 15.190 -0.231 1.00 22.11 H new ATOM 0 HZ3 LYS A 58 10.561 16.373 -1.134 1.00 22.11 H new ATOM 880 N TYR A 59 6.545 13.044 -2.817 1.00 15.12 N ATOM 881 CA TYR A 59 5.190 12.468 -2.676 1.00 31.44 C ATOM 882 C TYR A 59 4.760 11.751 -3.963 1.00 43.35 C ATOM 883 O TYR A 59 4.326 10.607 -3.923 1.00 10.24 O ATOM 884 CB TYR A 59 4.199 13.597 -2.289 1.00 21.25 C ATOM 885 CG TYR A 59 2.712 13.190 -2.172 1.00 61.54 C ATOM 886 CD1 TYR A 59 2.256 12.408 -1.105 1.00 43.10 C ATOM 887 CD2 TYR A 59 1.766 13.602 -3.118 1.00 14.23 C ATOM 888 CE1 TYR A 59 0.923 12.052 -0.993 1.00 74.24 C ATOM 889 CE2 TYR A 59 0.435 13.252 -3.005 1.00 73.25 C ATOM 890 CZ TYR A 59 0.015 12.478 -1.943 1.00 75.04 C ATOM 891 OH TYR A 59 -1.320 12.130 -1.833 1.00 53.55 O ATOM 0 H TYR A 59 6.547 14.063 -2.860 1.00 15.12 H new ATOM 0 HA TYR A 59 5.193 11.717 -1.886 1.00 31.44 H new ATOM 0 HB2 TYR A 59 4.515 14.018 -1.335 1.00 21.25 H new ATOM 0 HB3 TYR A 59 4.279 14.392 -3.030 1.00 21.25 H new ATOM 0 HD1 TYR A 59 2.958 12.076 -0.354 1.00 43.10 H new ATOM 0 HD2 TYR A 59 2.084 14.207 -3.954 1.00 14.23 H new ATOM 0 HE1 TYR A 59 0.594 11.442 -0.165 1.00 74.24 H new ATOM 0 HE2 TYR A 59 -0.276 13.584 -3.747 1.00 73.25 H new ATOM 0 HH TYR A 59 -1.672 11.901 -2.718 1.00 53.55 H new ATOM 901 N LYS A 60 4.930 12.442 -5.099 1.00 50.23 N ATOM 902 CA LYS A 60 4.590 11.917 -6.440 1.00 65.33 C ATOM 903 C LYS A 60 5.405 10.638 -6.774 1.00 45.03 C ATOM 904 O LYS A 60 4.880 9.697 -7.375 1.00 54.20 O ATOM 905 CB LYS A 60 4.844 13.031 -7.487 1.00 63.34 C ATOM 906 CG LYS A 60 4.051 14.332 -7.217 1.00 53.14 C ATOM 907 CD LYS A 60 4.455 15.492 -8.154 1.00 22.42 C ATOM 908 CE LYS A 60 3.690 16.790 -7.846 1.00 1.34 C ATOM 909 NZ LYS A 60 4.143 17.924 -8.696 1.00 54.13 N ATOM 0 H LYS A 60 5.310 13.388 -5.119 1.00 50.23 H new ATOM 0 HA LYS A 60 3.538 11.631 -6.458 1.00 65.33 H new ATOM 0 HB2 LYS A 60 5.909 13.263 -7.507 1.00 63.34 H new ATOM 0 HB3 LYS A 60 4.581 12.655 -8.476 1.00 63.34 H new ATOM 0 HG2 LYS A 60 2.986 14.132 -7.334 1.00 53.14 H new ATOM 0 HG3 LYS A 60 4.206 14.637 -6.182 1.00 53.14 H new ATOM 0 HD2 LYS A 60 5.526 15.674 -8.061 1.00 22.42 H new ATOM 0 HD3 LYS A 60 4.270 15.201 -9.188 1.00 22.42 H new ATOM 0 HE2 LYS A 60 2.623 16.626 -8.000 1.00 1.34 H new ATOM 0 HE3 LYS A 60 3.825 17.049 -6.796 1.00 1.34 H new ATOM 0 HZ1 LYS A 60 3.600 18.778 -8.454 1.00 54.13 H new ATOM 0 HZ2 LYS A 60 5.155 18.099 -8.531 1.00 54.13 H new ATOM 0 HZ3 LYS A 60 3.991 17.689 -9.698 1.00 54.13 H new ATOM 923 N ASN A 61 6.686 10.623 -6.348 1.00 32.12 N ATOM 924 CA ASN A 61 7.584 9.454 -6.486 1.00 14.24 C ATOM 925 C ASN A 61 7.123 8.298 -5.552 1.00 43.52 C ATOM 926 O ASN A 61 7.030 7.151 -5.983 1.00 1.12 O ATOM 927 CB ASN A 61 9.046 9.878 -6.157 1.00 60.54 C ATOM 928 CG ASN A 61 10.127 8.833 -6.496 1.00 74.12 C ATOM 929 OD1 ASN A 61 9.898 7.630 -6.508 1.00 13.34 O ATOM 930 ND2 ASN A 61 11.334 9.293 -6.758 1.00 11.24 N ATOM 0 H ASN A 61 7.129 11.424 -5.897 1.00 32.12 H new ATOM 0 HA ASN A 61 7.543 9.092 -7.513 1.00 14.24 H new ATOM 0 HB2 ASN A 61 9.271 10.797 -6.698 1.00 60.54 H new ATOM 0 HB3 ASN A 61 9.109 10.110 -5.094 1.00 60.54 H new ATOM 0 HD21 ASN A 61 12.091 8.645 -6.974 1.00 11.24 H new ATOM 0 HD22 ASN A 61 11.511 10.297 -6.745 1.00 11.24 H new ATOM 937 N ARG A 62 6.834 8.631 -4.274 1.00 61.20 N ATOM 938 CA ARG A 62 6.398 7.641 -3.250 1.00 24.43 C ATOM 939 C ARG A 62 5.071 6.942 -3.648 1.00 52.21 C ATOM 940 O ARG A 62 4.933 5.741 -3.440 1.00 44.23 O ATOM 941 CB ARG A 62 6.274 8.305 -1.828 1.00 4.25 C ATOM 942 CG ARG A 62 7.463 8.039 -0.860 1.00 54.33 C ATOM 943 CD ARG A 62 8.812 8.583 -1.360 1.00 43.33 C ATOM 944 NE ARG A 62 9.880 8.391 -0.359 1.00 22.43 N ATOM 945 CZ ARG A 62 10.887 9.216 -0.132 1.00 72.41 C ATOM 946 NH1 ARG A 62 11.025 10.320 -0.800 1.00 75.40 N ATOM 947 NH2 ARG A 62 11.764 8.917 0.768 1.00 64.42 N ATOM 0 H ARG A 62 6.894 9.586 -3.920 1.00 61.20 H new ATOM 0 HA ARG A 62 7.171 6.874 -3.201 1.00 24.43 H new ATOM 0 HB2 ARG A 62 6.167 9.382 -1.957 1.00 4.25 H new ATOM 0 HB3 ARG A 62 5.358 7.948 -1.358 1.00 4.25 H new ATOM 0 HG2 ARG A 62 7.238 8.488 0.107 1.00 54.33 H new ATOM 0 HG3 ARG A 62 7.553 6.965 -0.699 1.00 54.33 H new ATOM 0 HD2 ARG A 62 9.087 8.080 -2.287 1.00 43.33 H new ATOM 0 HD3 ARG A 62 8.714 9.644 -1.590 1.00 43.33 H new ATOM 0 HE ARG A 62 9.837 7.545 0.209 1.00 22.43 H new ATOM 0 HH11 ARG A 62 10.347 10.569 -1.520 1.00 75.40 H new ATOM 0 HH12 ARG A 62 11.812 10.939 -0.605 1.00 75.40 H new ATOM 0 HH21 ARG A 62 11.676 8.050 1.297 1.00 64.42 H new ATOM 0 HH22 ARG A 62 12.544 9.548 0.949 1.00 64.42 H new ATOM 961 N VAL A 63 4.113 7.706 -4.220 1.00 34.13 N ATOM 962 CA VAL A 63 2.797 7.167 -4.643 1.00 32.41 C ATOM 963 C VAL A 63 2.961 6.173 -5.821 1.00 61.11 C ATOM 964 O VAL A 63 2.559 5.022 -5.699 1.00 73.15 O ATOM 965 CB VAL A 63 1.772 8.317 -5.022 1.00 12.35 C ATOM 966 CG1 VAL A 63 0.444 7.746 -5.598 1.00 73.14 C ATOM 967 CG2 VAL A 63 1.483 9.223 -3.796 1.00 22.50 C ATOM 0 H VAL A 63 4.226 8.703 -4.401 1.00 34.13 H new ATOM 0 HA VAL A 63 2.382 6.632 -3.789 1.00 32.41 H new ATOM 0 HB VAL A 63 2.238 8.919 -5.802 1.00 12.35 H new ATOM 0 HG11 VAL A 63 -0.229 8.567 -5.844 1.00 73.14 H new ATOM 0 HG12 VAL A 63 0.656 7.169 -6.498 1.00 73.14 H new ATOM 0 HG13 VAL A 63 -0.027 7.101 -4.856 1.00 73.14 H new ATOM 0 HG21 VAL A 63 0.778 10.004 -4.079 1.00 22.50 H new ATOM 0 HG22 VAL A 63 1.056 8.623 -2.993 1.00 22.50 H new ATOM 0 HG23 VAL A 63 2.412 9.679 -3.454 1.00 22.50 H new ATOM 977 N ARG A 64 3.587 6.620 -6.939 1.00 24.35 N ATOM 978 CA ARG A 64 3.759 5.782 -8.167 1.00 43.25 C ATOM 979 C ARG A 64 4.578 4.488 -7.891 1.00 71.21 C ATOM 980 O ARG A 64 4.291 3.421 -8.455 1.00 30.03 O ATOM 981 CB ARG A 64 4.416 6.611 -9.311 1.00 31.11 C ATOM 982 CG ARG A 64 5.869 7.061 -9.049 1.00 34.11 C ATOM 983 CD ARG A 64 6.432 7.955 -10.160 1.00 13.24 C ATOM 984 NE ARG A 64 6.532 7.253 -11.454 1.00 55.15 N ATOM 985 CZ ARG A 64 6.515 7.836 -12.636 1.00 61.25 C ATOM 986 NH1 ARG A 64 6.375 9.117 -12.759 1.00 44.23 N ATOM 987 NH2 ARG A 64 6.650 7.127 -13.703 1.00 33.42 N ATOM 0 H ARG A 64 3.984 7.556 -7.021 1.00 24.35 H new ATOM 0 HA ARG A 64 2.763 5.471 -8.482 1.00 43.25 H new ATOM 0 HB2 ARG A 64 4.396 6.017 -10.225 1.00 31.11 H new ATOM 0 HB3 ARG A 64 3.806 7.496 -9.492 1.00 31.11 H new ATOM 0 HG2 ARG A 64 5.911 7.599 -8.102 1.00 34.11 H new ATOM 0 HG3 ARG A 64 6.502 6.180 -8.944 1.00 34.11 H new ATOM 0 HD2 ARG A 64 5.795 8.832 -10.274 1.00 13.24 H new ATOM 0 HD3 ARG A 64 7.419 8.314 -9.868 1.00 13.24 H new ATOM 0 HE ARG A 64 6.621 6.237 -11.432 1.00 55.15 H new ATOM 0 HH11 ARG A 64 6.274 9.701 -11.929 1.00 44.23 H new ATOM 0 HH12 ARG A 64 6.365 9.542 -13.686 1.00 44.23 H new ATOM 0 HH21 ARG A 64 6.770 6.117 -13.632 1.00 33.42 H new ATOM 0 HH22 ARG A 64 6.637 7.576 -14.619 1.00 33.42 H new ATOM 1001 N SER A 65 5.594 4.605 -7.013 1.00 50.31 N ATOM 1002 CA SER A 65 6.424 3.461 -6.579 1.00 71.01 C ATOM 1003 C SER A 65 5.602 2.510 -5.682 1.00 12.11 C ATOM 1004 O SER A 65 5.679 1.291 -5.842 1.00 74.11 O ATOM 1005 CB SER A 65 7.690 3.954 -5.832 1.00 11.31 C ATOM 1006 OG SER A 65 8.505 4.761 -6.674 1.00 62.11 O ATOM 0 H SER A 65 5.862 5.491 -6.585 1.00 50.31 H new ATOM 0 HA SER A 65 6.743 2.913 -7.465 1.00 71.01 H new ATOM 0 HB2 SER A 65 7.396 4.525 -4.951 1.00 11.31 H new ATOM 0 HB3 SER A 65 8.264 3.097 -5.480 1.00 11.31 H new ATOM 0 HG SER A 65 8.201 5.692 -6.629 1.00 62.11 H new ATOM 1012 N ARG A 66 4.787 3.094 -4.768 1.00 21.24 N ATOM 1013 CA ARG A 66 3.932 2.322 -3.832 1.00 23.14 C ATOM 1014 C ARG A 66 2.914 1.453 -4.595 1.00 54.52 C ATOM 1015 O ARG A 66 2.717 0.299 -4.246 1.00 34.11 O ATOM 1016 CB ARG A 66 3.173 3.259 -2.844 1.00 45.50 C ATOM 1017 CG ARG A 66 2.473 2.548 -1.647 1.00 42.52 C ATOM 1018 CD ARG A 66 3.433 2.207 -0.483 1.00 63.52 C ATOM 1019 NE ARG A 66 4.581 1.357 -0.885 1.00 44.51 N ATOM 1020 CZ ARG A 66 5.799 1.435 -0.374 1.00 33.42 C ATOM 1021 NH1 ARG A 66 6.082 2.290 0.557 1.00 20.31 N ATOM 1022 NH2 ARG A 66 6.735 0.656 -0.803 1.00 12.25 N ATOM 0 H ARG A 66 4.704 4.105 -4.660 1.00 21.24 H new ATOM 0 HA ARG A 66 4.596 1.674 -3.260 1.00 23.14 H new ATOM 0 HB2 ARG A 66 3.879 3.988 -2.448 1.00 45.50 H new ATOM 0 HB3 ARG A 66 2.421 3.815 -3.404 1.00 45.50 H new ATOM 0 HG2 ARG A 66 1.674 3.187 -1.272 1.00 42.52 H new ATOM 0 HG3 ARG A 66 2.006 1.630 -2.003 1.00 42.52 H new ATOM 0 HD2 ARG A 66 3.812 3.134 -0.053 1.00 63.52 H new ATOM 0 HD3 ARG A 66 2.872 1.698 0.301 1.00 63.52 H new ATOM 0 HE ARG A 66 4.419 0.659 -1.611 1.00 44.51 H new ATOM 0 HH11 ARG A 66 5.360 2.918 0.909 1.00 20.31 H new ATOM 0 HH12 ARG A 66 7.027 2.335 0.938 1.00 20.31 H new ATOM 0 HH21 ARG A 66 6.537 -0.023 -1.538 1.00 12.25 H new ATOM 0 HH22 ARG A 66 7.673 0.719 -0.407 1.00 12.25 H new ATOM 1036 N ILE A 67 2.302 2.036 -5.649 1.00 34.42 N ATOM 1037 CA ILE A 67 1.339 1.341 -6.550 1.00 71.35 C ATOM 1038 C ILE A 67 1.977 0.066 -7.161 1.00 21.20 C ATOM 1039 O ILE A 67 1.378 -1.015 -7.140 1.00 73.52 O ATOM 1040 CB ILE A 67 0.869 2.309 -7.714 1.00 61.20 C ATOM 1041 CG1 ILE A 67 0.170 3.586 -7.138 1.00 14.33 C ATOM 1042 CG2 ILE A 67 -0.062 1.589 -8.728 1.00 23.55 C ATOM 1043 CD1 ILE A 67 -0.053 4.702 -8.149 1.00 12.20 C ATOM 0 H ILE A 67 2.460 3.010 -5.906 1.00 34.42 H new ATOM 0 HA ILE A 67 0.474 1.051 -5.954 1.00 71.35 H new ATOM 0 HB ILE A 67 1.765 2.618 -8.252 1.00 61.20 H new ATOM 0 HG12 ILE A 67 -0.794 3.297 -6.718 1.00 14.33 H new ATOM 0 HG13 ILE A 67 0.773 3.974 -6.317 1.00 14.33 H new ATOM 0 HG21 ILE A 67 -0.360 2.289 -9.509 1.00 23.55 H new ATOM 0 HG22 ILE A 67 0.469 0.750 -9.177 1.00 23.55 H new ATOM 0 HG23 ILE A 67 -0.949 1.223 -8.211 1.00 23.55 H new ATOM 0 HD11 ILE A 67 -0.542 5.544 -7.659 1.00 12.20 H new ATOM 0 HD12 ILE A 67 0.907 5.024 -8.553 1.00 12.20 H new ATOM 0 HD13 ILE A 67 -0.684 4.338 -8.960 1.00 12.20 H new ATOM 1055 N SER A 68 3.213 0.222 -7.682 1.00 30.00 N ATOM 1056 CA SER A 68 4.015 -0.895 -8.248 1.00 71.31 C ATOM 1057 C SER A 68 4.332 -1.982 -7.186 1.00 41.45 C ATOM 1058 O SER A 68 4.341 -3.174 -7.492 1.00 74.50 O ATOM 1059 CB SER A 68 5.327 -0.346 -8.863 1.00 41.15 C ATOM 1060 OG SER A 68 6.135 -1.384 -9.413 1.00 44.30 O ATOM 0 H SER A 68 3.687 1.124 -7.724 1.00 30.00 H new ATOM 0 HA SER A 68 3.418 -1.368 -9.028 1.00 71.31 H new ATOM 0 HB2 SER A 68 5.087 0.378 -9.642 1.00 41.15 H new ATOM 0 HB3 SER A 68 5.892 0.186 -8.097 1.00 41.15 H new ATOM 0 HG SER A 68 6.952 -0.997 -9.792 1.00 44.30 H new ATOM 1066 N ASN A 69 4.572 -1.543 -5.935 1.00 2.34 N ATOM 1067 CA ASN A 69 4.871 -2.444 -4.794 1.00 1.12 C ATOM 1068 C ASN A 69 3.599 -3.190 -4.301 1.00 50.32 C ATOM 1069 O ASN A 69 3.671 -4.340 -3.855 1.00 13.33 O ATOM 1070 CB ASN A 69 5.507 -1.633 -3.636 1.00 61.51 C ATOM 1071 CG ASN A 69 6.802 -0.899 -4.026 1.00 14.13 C ATOM 1072 OD1 ASN A 69 7.105 0.163 -3.496 1.00 31.03 O ATOM 1073 ND2 ASN A 69 7.586 -1.454 -4.936 1.00 14.03 N ATOM 0 H ASN A 69 4.565 -0.555 -5.682 1.00 2.34 H new ATOM 0 HA ASN A 69 5.578 -3.199 -5.137 1.00 1.12 H new ATOM 0 HB2 ASN A 69 4.782 -0.903 -3.276 1.00 61.51 H new ATOM 0 HB3 ASN A 69 5.719 -2.308 -2.807 1.00 61.51 H new ATOM 0 HD21 ASN A 69 8.457 -0.997 -5.206 1.00 14.03 H new ATOM 0 HD22 ASN A 69 7.319 -2.339 -5.368 1.00 14.03 H new ATOM 1080 N LEU A 70 2.435 -2.521 -4.413 1.00 4.43 N ATOM 1081 CA LEU A 70 1.113 -3.089 -4.040 1.00 40.50 C ATOM 1082 C LEU A 70 0.618 -4.127 -5.080 1.00 2.42 C ATOM 1083 O LEU A 70 -0.401 -4.779 -4.868 1.00 75.55 O ATOM 1084 CB LEU A 70 0.061 -1.948 -3.892 1.00 51.15 C ATOM 1085 CG LEU A 70 0.282 -0.929 -2.727 1.00 22.15 C ATOM 1086 CD1 LEU A 70 -0.719 0.251 -2.807 1.00 40.23 C ATOM 1087 CD2 LEU A 70 0.214 -1.627 -1.357 1.00 72.21 C ATOM 0 H LEU A 70 2.379 -1.566 -4.766 1.00 4.43 H new ATOM 0 HA LEU A 70 1.234 -3.602 -3.086 1.00 40.50 H new ATOM 0 HB2 LEU A 70 0.030 -1.391 -4.829 1.00 51.15 H new ATOM 0 HB3 LEU A 70 -0.920 -2.406 -3.761 1.00 51.15 H new ATOM 0 HG LEU A 70 1.284 -0.515 -2.840 1.00 22.15 H new ATOM 0 HD11 LEU A 70 -0.536 0.940 -1.982 1.00 40.23 H new ATOM 0 HD12 LEU A 70 -0.588 0.776 -3.753 1.00 40.23 H new ATOM 0 HD13 LEU A 70 -1.738 -0.131 -2.742 1.00 40.23 H new ATOM 0 HD21 LEU A 70 0.371 -0.893 -0.567 1.00 72.21 H new ATOM 0 HD22 LEU A 70 -0.765 -2.090 -1.233 1.00 72.21 H new ATOM 0 HD23 LEU A 70 0.987 -2.393 -1.300 1.00 72.21 H new ATOM 1099 N LYS A 71 1.314 -4.218 -6.233 1.00 60.14 N ATOM 1100 CA LYS A 71 1.069 -5.263 -7.262 1.00 74.54 C ATOM 1101 C LYS A 71 2.351 -6.077 -7.602 1.00 42.11 C ATOM 1102 O LYS A 71 2.365 -6.817 -8.594 1.00 45.55 O ATOM 1103 CB LYS A 71 0.464 -4.611 -8.531 1.00 44.33 C ATOM 1104 CG LYS A 71 1.364 -3.580 -9.245 1.00 35.54 C ATOM 1105 CD LYS A 71 0.680 -2.963 -10.488 1.00 51.12 C ATOM 1106 CE LYS A 71 -0.607 -2.189 -10.147 1.00 64.34 C ATOM 1107 NZ LYS A 71 -1.312 -1.728 -11.373 1.00 64.13 N ATOM 0 H LYS A 71 2.063 -3.571 -6.481 1.00 60.14 H new ATOM 0 HA LYS A 71 0.357 -5.978 -6.851 1.00 74.54 H new ATOM 0 HB2 LYS A 71 0.214 -5.401 -9.239 1.00 44.33 H new ATOM 0 HB3 LYS A 71 -0.471 -4.122 -8.256 1.00 44.33 H new ATOM 0 HG2 LYS A 71 1.627 -2.786 -8.546 1.00 35.54 H new ATOM 0 HG3 LYS A 71 2.295 -4.061 -9.547 1.00 35.54 H new ATOM 0 HD2 LYS A 71 1.380 -2.291 -10.985 1.00 51.12 H new ATOM 0 HD3 LYS A 71 0.443 -3.757 -11.196 1.00 51.12 H new ATOM 0 HE2 LYS A 71 -1.271 -2.826 -9.563 1.00 64.34 H new ATOM 0 HE3 LYS A 71 -0.361 -1.329 -9.524 1.00 64.34 H new ATOM 0 HZ1 LYS A 71 -1.741 -0.797 -11.197 1.00 64.13 H new ATOM 0 HZ2 LYS A 71 -0.633 -1.654 -12.157 1.00 64.13 H new ATOM 0 HZ3 LYS A 71 -2.056 -2.410 -11.623 1.00 64.13 H new ATOM 1121 N ASP A 72 3.399 -5.969 -6.757 1.00 61.05 N ATOM 1122 CA ASP A 72 4.750 -6.527 -7.056 1.00 2.32 C ATOM 1123 C ASP A 72 4.771 -8.084 -7.130 1.00 44.21 C ATOM 1124 O ASP A 72 4.069 -8.781 -6.382 1.00 21.52 O ATOM 1125 CB ASP A 72 5.783 -6.006 -6.011 1.00 54.44 C ATOM 1126 CG ASP A 72 7.255 -6.387 -6.302 1.00 41.04 C ATOM 1127 OD1 ASP A 72 7.642 -6.488 -7.489 1.00 22.14 O ATOM 1128 OD2 ASP A 72 8.029 -6.590 -5.346 1.00 2.14 O ATOM 0 H ASP A 72 3.341 -5.498 -5.854 1.00 61.05 H new ATOM 0 HA ASP A 72 5.027 -6.176 -8.050 1.00 2.32 H new ATOM 0 HB2 ASP A 72 5.708 -4.920 -5.958 1.00 54.44 H new ATOM 0 HB3 ASP A 72 5.511 -6.392 -5.029 1.00 54.44 H new ATOM 1133 N ALA A 73 5.592 -8.597 -8.072 1.00 2.44 N ATOM 1134 CA ALA A 73 5.796 -10.046 -8.304 1.00 11.03 C ATOM 1135 C ALA A 73 6.910 -10.617 -7.397 1.00 72.24 C ATOM 1136 O ALA A 73 6.876 -11.792 -7.031 1.00 1.32 O ATOM 1137 CB ALA A 73 6.138 -10.291 -9.784 1.00 1.10 C ATOM 0 H ALA A 73 6.139 -8.010 -8.701 1.00 2.44 H new ATOM 0 HA ALA A 73 4.870 -10.563 -8.053 1.00 11.03 H new ATOM 0 HB1 ALA A 73 6.287 -11.358 -9.951 1.00 1.10 H new ATOM 0 HB2 ALA A 73 5.319 -9.937 -10.410 1.00 1.10 H new ATOM 0 HB3 ALA A 73 7.050 -9.752 -10.041 1.00 1.10 H new ATOM 1143 N LYS A 74 7.909 -9.771 -7.066 1.00 10.12 N ATOM 1144 CA LYS A 74 9.028 -10.140 -6.160 1.00 50.25 C ATOM 1145 C LYS A 74 8.548 -10.191 -4.689 1.00 64.55 C ATOM 1146 O LYS A 74 9.044 -10.982 -3.876 1.00 12.12 O ATOM 1147 CB LYS A 74 10.190 -9.125 -6.323 1.00 45.51 C ATOM 1148 CG LYS A 74 10.727 -8.985 -7.765 1.00 24.10 C ATOM 1149 CD LYS A 74 11.334 -10.296 -8.310 1.00 0.12 C ATOM 1150 CE LYS A 74 11.870 -10.146 -9.743 1.00 0.15 C ATOM 1151 NZ LYS A 74 12.473 -11.412 -10.228 1.00 73.22 N ATOM 0 H LYS A 74 7.966 -8.815 -7.416 1.00 10.12 H new ATOM 0 HA LYS A 74 9.387 -11.133 -6.429 1.00 50.25 H new ATOM 0 HB2 LYS A 74 9.852 -8.148 -5.979 1.00 45.51 H new ATOM 0 HB3 LYS A 74 11.011 -9.425 -5.672 1.00 45.51 H new ATOM 0 HG2 LYS A 74 9.916 -8.666 -8.420 1.00 24.10 H new ATOM 0 HG3 LYS A 74 11.484 -8.202 -7.791 1.00 24.10 H new ATOM 0 HD2 LYS A 74 12.143 -10.618 -7.655 1.00 0.12 H new ATOM 0 HD3 LYS A 74 10.576 -11.079 -8.289 1.00 0.12 H new ATOM 0 HE2 LYS A 74 11.059 -9.849 -10.408 1.00 0.15 H new ATOM 0 HE3 LYS A 74 12.615 -9.351 -9.774 1.00 0.15 H new ATOM 0 HZ1 LYS A 74 12.826 -11.280 -11.197 1.00 73.22 H new ATOM 0 HZ2 LYS A 74 13.262 -11.681 -9.606 1.00 73.22 H new ATOM 0 HZ3 LYS A 74 11.754 -12.164 -10.221 1.00 73.22 H new ATOM 1165 N ASN A 75 7.565 -9.332 -4.375 1.00 42.42 N ATOM 1166 CA ASN A 75 6.855 -9.307 -3.080 1.00 62.33 C ATOM 1167 C ASN A 75 5.321 -9.504 -3.291 1.00 12.02 C ATOM 1168 O ASN A 75 4.554 -8.526 -3.289 1.00 22.20 O ATOM 1169 CB ASN A 75 7.148 -7.972 -2.339 1.00 13.02 C ATOM 1170 CG ASN A 75 8.565 -7.878 -1.781 1.00 62.52 C ATOM 1171 OD1 ASN A 75 8.803 -8.196 -0.628 1.00 12.22 O ATOM 1172 ND2 ASN A 75 9.520 -7.461 -2.583 1.00 34.30 N ATOM 0 H ASN A 75 7.233 -8.620 -5.025 1.00 42.42 H new ATOM 0 HA ASN A 75 7.216 -10.131 -2.464 1.00 62.33 H new ATOM 0 HB2 ASN A 75 6.982 -7.142 -3.025 1.00 13.02 H new ATOM 0 HB3 ASN A 75 6.437 -7.857 -1.521 1.00 13.02 H new ATOM 0 HD21 ASN A 75 10.480 -7.399 -2.244 1.00 34.30 H new ATOM 0 HD22 ASN A 75 9.301 -7.200 -3.544 1.00 34.30 H new ATOM 1179 N PRO A 76 4.841 -10.774 -3.519 1.00 34.31 N ATOM 1180 CA PRO A 76 3.386 -11.083 -3.537 1.00 40.21 C ATOM 1181 C PRO A 76 2.794 -11.058 -2.105 1.00 10.22 C ATOM 1182 O PRO A 76 1.621 -10.746 -1.901 1.00 22.13 O ATOM 1183 CB PRO A 76 3.316 -12.514 -4.163 1.00 32.11 C ATOM 1184 CG PRO A 76 4.712 -12.818 -4.646 1.00 21.11 C ATOM 1185 CD PRO A 76 5.641 -11.995 -3.784 1.00 61.14 C ATOM 0 HA PRO A 76 2.805 -10.354 -4.102 1.00 40.21 H new ATOM 0 HB2 PRO A 76 2.988 -13.248 -3.427 1.00 32.11 H new ATOM 0 HB3 PRO A 76 2.601 -12.547 -4.985 1.00 32.11 H new ATOM 0 HG2 PRO A 76 4.934 -13.881 -4.553 1.00 21.11 H new ATOM 0 HG3 PRO A 76 4.825 -12.559 -5.699 1.00 21.11 H new ATOM 0 HD2 PRO A 76 5.905 -12.514 -2.863 1.00 61.14 H new ATOM 0 HD3 PRO A 76 6.574 -11.765 -4.299 1.00 61.14 H new ATOM 1193 N ASP A 77 3.658 -11.377 -1.124 1.00 22.42 N ATOM 1194 CA ASP A 77 3.316 -11.406 0.311 1.00 22.32 C ATOM 1195 C ASP A 77 3.100 -9.985 0.872 1.00 61.43 C ATOM 1196 O ASP A 77 2.426 -9.816 1.880 1.00 62.12 O ATOM 1197 CB ASP A 77 4.446 -12.103 1.107 1.00 63.11 C ATOM 1198 CG ASP A 77 4.925 -13.405 0.453 1.00 32.04 C ATOM 1199 OD1 ASP A 77 5.799 -13.336 -0.444 1.00 23.15 O ATOM 1200 OD2 ASP A 77 4.451 -14.492 0.829 1.00 63.25 O ATOM 0 H ASP A 77 4.630 -11.626 -1.309 1.00 22.42 H new ATOM 0 HA ASP A 77 2.385 -11.962 0.418 1.00 22.32 H new ATOM 0 HB2 ASP A 77 5.290 -11.420 1.203 1.00 63.11 H new ATOM 0 HB3 ASP A 77 4.093 -12.318 2.116 1.00 63.11 H new ATOM 1205 N LEU A 78 3.698 -8.971 0.213 1.00 24.54 N ATOM 1206 CA LEU A 78 3.597 -7.561 0.651 1.00 51.14 C ATOM 1207 C LEU A 78 2.128 -7.079 0.589 1.00 70.24 C ATOM 1208 O LEU A 78 1.542 -6.723 1.607 1.00 54.03 O ATOM 1209 CB LEU A 78 4.483 -6.660 -0.248 1.00 31.21 C ATOM 1210 CG LEU A 78 4.628 -5.169 0.192 1.00 44.14 C ATOM 1211 CD1 LEU A 78 5.409 -5.049 1.516 1.00 11.13 C ATOM 1212 CD2 LEU A 78 5.280 -4.321 -0.919 1.00 62.24 C ATOM 0 H LEU A 78 4.259 -9.103 -0.629 1.00 24.54 H new ATOM 0 HA LEU A 78 3.946 -7.493 1.682 1.00 51.14 H new ATOM 0 HB2 LEU A 78 5.479 -7.100 -0.297 1.00 31.21 H new ATOM 0 HB3 LEU A 78 4.076 -6.680 -1.259 1.00 31.21 H new ATOM 0 HG LEU A 78 3.626 -4.777 0.364 1.00 44.14 H new ATOM 0 HD11 LEU A 78 5.493 -3.999 1.795 1.00 11.13 H new ATOM 0 HD12 LEU A 78 4.881 -5.592 2.300 1.00 11.13 H new ATOM 0 HD13 LEU A 78 6.406 -5.472 1.390 1.00 11.13 H new ATOM 0 HD21 LEU A 78 5.368 -3.288 -0.584 1.00 62.24 H new ATOM 0 HD22 LEU A 78 6.271 -4.715 -1.143 1.00 62.24 H new ATOM 0 HD23 LEU A 78 4.662 -4.360 -1.816 1.00 62.24 H new ATOM 1224 N ARG A 79 1.540 -7.166 -0.618 1.00 14.43 N ATOM 1225 CA ARG A 79 0.114 -6.834 -0.866 1.00 35.21 C ATOM 1226 C ARG A 79 -0.833 -7.800 -0.117 1.00 23.11 C ATOM 1227 O ARG A 79 -1.816 -7.358 0.477 1.00 41.01 O ATOM 1228 CB ARG A 79 -0.186 -6.829 -2.397 1.00 44.33 C ATOM 1229 CG ARG A 79 0.417 -8.017 -3.186 1.00 23.43 C ATOM 1230 CD ARG A 79 0.068 -7.995 -4.687 1.00 10.25 C ATOM 1231 NE ARG A 79 0.975 -8.856 -5.477 1.00 13.10 N ATOM 1232 CZ ARG A 79 0.641 -9.557 -6.540 1.00 1.12 C ATOM 1233 NH1 ARG A 79 -0.586 -9.607 -6.965 1.00 20.01 N ATOM 1234 NH2 ARG A 79 1.559 -10.201 -7.186 1.00 62.11 N ATOM 0 H ARG A 79 2.037 -7.469 -1.455 1.00 14.43 H new ATOM 0 HA ARG A 79 -0.070 -5.833 -0.475 1.00 35.21 H new ATOM 0 HB2 ARG A 79 -1.267 -6.828 -2.540 1.00 44.33 H new ATOM 0 HB3 ARG A 79 0.193 -5.900 -2.823 1.00 44.33 H new ATOM 0 HG2 ARG A 79 1.501 -8.006 -3.072 1.00 23.43 H new ATOM 0 HG3 ARG A 79 0.060 -8.951 -2.751 1.00 23.43 H new ATOM 0 HD2 ARG A 79 -0.961 -8.328 -4.825 1.00 10.25 H new ATOM 0 HD3 ARG A 79 0.124 -6.972 -5.058 1.00 10.25 H new ATOM 0 HE ARG A 79 1.946 -8.912 -5.171 1.00 13.10 H new ATOM 0 HH11 ARG A 79 -1.318 -9.095 -6.472 1.00 20.01 H new ATOM 0 HH12 ARG A 79 -0.817 -10.158 -7.792 1.00 20.01 H new ATOM 0 HH21 ARG A 79 2.528 -10.162 -6.870 1.00 62.11 H new ATOM 0 HH22 ARG A 79 1.314 -10.748 -8.011 1.00 62.11 H new ATOM 1248 N ARG A 80 -0.496 -9.108 -0.131 1.00 44.21 N ATOM 1249 CA ARG A 80 -1.281 -10.168 0.554 1.00 43.12 C ATOM 1250 C ARG A 80 -1.481 -9.852 2.061 1.00 73.43 C ATOM 1251 O ARG A 80 -2.602 -9.871 2.560 1.00 53.43 O ATOM 1252 CB ARG A 80 -0.560 -11.539 0.384 1.00 1.51 C ATOM 1253 CG ARG A 80 -1.266 -12.754 1.039 1.00 31.02 C ATOM 1254 CD ARG A 80 -2.618 -13.093 0.384 1.00 14.34 C ATOM 1255 NE ARG A 80 -3.299 -14.207 1.066 1.00 4.10 N ATOM 1256 CZ ARG A 80 -4.450 -14.737 0.704 1.00 75.12 C ATOM 1257 NH1 ARG A 80 -5.112 -14.295 -0.321 1.00 33.24 N ATOM 1258 NH2 ARG A 80 -4.936 -15.721 1.389 1.00 61.34 N ATOM 0 H ARG A 80 0.328 -9.463 -0.617 1.00 44.21 H new ATOM 0 HA ARG A 80 -2.269 -10.210 0.095 1.00 43.12 H new ATOM 0 HB2 ARG A 80 -0.446 -11.739 -0.681 1.00 1.51 H new ATOM 0 HB3 ARG A 80 0.443 -11.456 0.802 1.00 1.51 H new ATOM 0 HG2 ARG A 80 -0.611 -13.623 0.978 1.00 31.02 H new ATOM 0 HG3 ARG A 80 -1.424 -12.548 2.098 1.00 31.02 H new ATOM 0 HD2 ARG A 80 -3.259 -12.212 0.400 1.00 14.34 H new ATOM 0 HD3 ARG A 80 -2.459 -13.352 -0.663 1.00 14.34 H new ATOM 0 HE ARG A 80 -2.841 -14.601 1.888 1.00 4.10 H new ATOM 0 HH11 ARG A 80 -4.744 -13.518 -0.870 1.00 33.24 H new ATOM 0 HH12 ARG A 80 -6.001 -14.725 -0.578 1.00 33.24 H new ATOM 0 HH21 ARG A 80 -4.429 -16.078 2.199 1.00 61.34 H new ATOM 0 HH22 ARG A 80 -5.826 -16.140 1.119 1.00 61.34 H new ATOM 1272 N ASN A 81 -0.375 -9.522 2.751 1.00 62.42 N ATOM 1273 CA ASN A 81 -0.374 -9.285 4.210 1.00 4.34 C ATOM 1274 C ASN A 81 -0.985 -7.911 4.590 1.00 70.15 C ATOM 1275 O ASN A 81 -1.580 -7.798 5.660 1.00 71.52 O ATOM 1276 CB ASN A 81 1.059 -9.420 4.784 1.00 45.50 C ATOM 1277 CG ASN A 81 1.637 -10.841 4.695 1.00 31.41 C ATOM 1278 OD1 ASN A 81 0.912 -11.831 4.720 1.00 50.44 O ATOM 1279 ND2 ASN A 81 2.954 -10.949 4.601 1.00 25.44 N ATOM 0 H ASN A 81 0.542 -9.412 2.317 1.00 62.42 H new ATOM 0 HA ASN A 81 -1.010 -10.050 4.656 1.00 4.34 H new ATOM 0 HB2 ASN A 81 1.719 -8.736 4.250 1.00 45.50 H new ATOM 0 HB3 ASN A 81 1.052 -9.106 5.828 1.00 45.50 H new ATOM 0 HD21 ASN A 81 3.388 -11.871 4.547 1.00 25.44 H new ATOM 0 HD22 ASN A 81 3.534 -10.110 4.582 1.00 25.44 H new ATOM 1286 N VAL A 82 -0.827 -6.873 3.735 1.00 31.22 N ATOM 1287 CA VAL A 82 -1.481 -5.545 3.960 1.00 33.13 C ATOM 1288 C VAL A 82 -3.026 -5.690 3.939 1.00 73.42 C ATOM 1289 O VAL A 82 -3.727 -5.226 4.849 1.00 43.02 O ATOM 1290 CB VAL A 82 -1.024 -4.467 2.894 1.00 60.14 C ATOM 1291 CG1 VAL A 82 -1.830 -3.145 3.016 1.00 53.12 C ATOM 1292 CG2 VAL A 82 0.489 -4.186 3.009 1.00 14.34 C ATOM 0 H VAL A 82 -0.260 -6.920 2.889 1.00 31.22 H new ATOM 0 HA VAL A 82 -1.164 -5.194 4.942 1.00 33.13 H new ATOM 0 HB VAL A 82 -1.230 -4.887 1.909 1.00 60.14 H new ATOM 0 HG11 VAL A 82 -1.482 -2.436 2.265 1.00 53.12 H new ATOM 0 HG12 VAL A 82 -2.889 -3.349 2.859 1.00 53.12 H new ATOM 0 HG13 VAL A 82 -1.685 -2.721 4.010 1.00 53.12 H new ATOM 0 HG21 VAL A 82 0.778 -3.442 2.266 1.00 14.34 H new ATOM 0 HG22 VAL A 82 0.714 -3.809 4.007 1.00 14.34 H new ATOM 0 HG23 VAL A 82 1.044 -5.108 2.835 1.00 14.34 H new ATOM 1302 N LEU A 83 -3.525 -6.370 2.898 1.00 73.05 N ATOM 1303 CA LEU A 83 -4.967 -6.644 2.709 1.00 74.31 C ATOM 1304 C LEU A 83 -5.514 -7.642 3.775 1.00 4.15 C ATOM 1305 O LEU A 83 -6.679 -7.565 4.165 1.00 24.31 O ATOM 1306 CB LEU A 83 -5.187 -7.178 1.268 1.00 4.35 C ATOM 1307 CG LEU A 83 -4.782 -6.192 0.119 1.00 11.01 C ATOM 1308 CD1 LEU A 83 -4.709 -6.905 -1.248 1.00 21.41 C ATOM 1309 CD2 LEU A 83 -5.730 -4.975 0.063 1.00 12.20 C ATOM 0 H LEU A 83 -2.940 -6.751 2.154 1.00 73.05 H new ATOM 0 HA LEU A 83 -5.526 -5.718 2.845 1.00 74.31 H new ATOM 0 HB2 LEU A 83 -4.619 -8.101 1.150 1.00 4.35 H new ATOM 0 HB3 LEU A 83 -6.240 -7.434 1.150 1.00 4.35 H new ATOM 0 HG LEU A 83 -3.781 -5.825 0.348 1.00 11.01 H new ATOM 0 HD11 LEU A 83 -4.425 -6.187 -2.018 1.00 21.41 H new ATOM 0 HD12 LEU A 83 -3.967 -7.702 -1.204 1.00 21.41 H new ATOM 0 HD13 LEU A 83 -5.683 -7.330 -1.489 1.00 21.41 H new ATOM 0 HD21 LEU A 83 -5.422 -4.311 -0.744 1.00 12.20 H new ATOM 0 HD22 LEU A 83 -6.750 -5.316 -0.117 1.00 12.20 H new ATOM 0 HD23 LEU A 83 -5.689 -4.438 1.011 1.00 12.20 H new ATOM 1321 N CYS A 84 -4.650 -8.566 4.242 1.00 75.51 N ATOM 1322 CA CYS A 84 -5.002 -9.537 5.316 1.00 14.31 C ATOM 1323 C CYS A 84 -4.868 -8.916 6.734 1.00 13.53 C ATOM 1324 O CYS A 84 -5.324 -9.511 7.713 1.00 11.51 O ATOM 1325 CB CYS A 84 -4.126 -10.807 5.206 1.00 74.41 C ATOM 1326 SG CYS A 84 -4.599 -12.148 6.329 1.00 65.11 S ATOM 0 H CYS A 84 -3.696 -8.666 3.894 1.00 75.51 H new ATOM 0 HA CYS A 84 -6.048 -9.808 5.174 1.00 14.31 H new ATOM 0 HB2 CYS A 84 -4.171 -11.176 4.181 1.00 74.41 H new ATOM 0 HB3 CYS A 84 -3.089 -10.535 5.402 1.00 74.41 H new ATOM 0 HG CYS A 84 -5.132 -11.647 7.403 1.00 65.11 H new ATOM 1332 N GLY A 85 -4.230 -7.729 6.829 1.00 62.51 N ATOM 1333 CA GLY A 85 -4.061 -7.010 8.111 1.00 45.12 C ATOM 1334 C GLY A 85 -2.836 -7.452 8.933 1.00 50.55 C ATOM 1335 O GLY A 85 -2.670 -7.008 10.073 1.00 71.24 O ATOM 0 H GLY A 85 -3.822 -7.246 6.029 1.00 62.51 H new ATOM 0 HA2 GLY A 85 -3.980 -5.942 7.907 1.00 45.12 H new ATOM 0 HA3 GLY A 85 -4.958 -7.152 8.714 1.00 45.12 H new ATOM 1339 N ALA A 86 -1.989 -8.331 8.358 1.00 52.53 N ATOM 1340 CA ALA A 86 -0.725 -8.785 8.991 1.00 73.04 C ATOM 1341 C ALA A 86 0.354 -7.669 8.966 1.00 73.14 C ATOM 1342 O ALA A 86 1.003 -7.400 9.983 1.00 51.00 O ATOM 1343 CB ALA A 86 -0.210 -10.062 8.307 1.00 44.41 C ATOM 0 H ALA A 86 -2.158 -8.748 7.443 1.00 52.53 H new ATOM 0 HA ALA A 86 -0.935 -9.013 10.036 1.00 73.04 H new ATOM 0 HB1 ALA A 86 0.717 -10.381 8.783 1.00 44.41 H new ATOM 0 HB2 ALA A 86 -0.956 -10.851 8.400 1.00 44.41 H new ATOM 0 HB3 ALA A 86 -0.025 -9.860 7.252 1.00 44.41 H new ATOM 1349 N ILE A 87 0.549 -7.034 7.791 1.00 33.51 N ATOM 1350 CA ILE A 87 1.363 -5.798 7.668 1.00 32.35 C ATOM 1351 C ILE A 87 0.456 -4.570 7.915 1.00 15.34 C ATOM 1352 O ILE A 87 -0.563 -4.393 7.234 1.00 51.41 O ATOM 1353 CB ILE A 87 2.078 -5.680 6.258 1.00 2.34 C ATOM 1354 CG1 ILE A 87 3.148 -6.812 6.086 1.00 22.43 C ATOM 1355 CG2 ILE A 87 2.722 -4.277 6.048 1.00 44.55 C ATOM 1356 CD1 ILE A 87 3.845 -6.840 4.730 1.00 4.23 C ATOM 0 H ILE A 87 0.153 -7.356 6.908 1.00 33.51 H new ATOM 0 HA ILE A 87 2.154 -5.840 8.417 1.00 32.35 H new ATOM 0 HB ILE A 87 1.312 -5.803 5.492 1.00 2.34 H new ATOM 0 HG12 ILE A 87 3.903 -6.698 6.864 1.00 22.43 H new ATOM 0 HG13 ILE A 87 2.665 -7.775 6.249 1.00 22.43 H new ATOM 0 HG21 ILE A 87 3.201 -4.239 5.070 1.00 44.55 H new ATOM 0 HG22 ILE A 87 1.949 -3.510 6.104 1.00 44.55 H new ATOM 0 HG23 ILE A 87 3.467 -4.099 6.824 1.00 44.55 H new ATOM 0 HD11 ILE A 87 4.566 -7.657 4.708 1.00 4.23 H new ATOM 0 HD12 ILE A 87 3.105 -6.988 3.944 1.00 4.23 H new ATOM 0 HD13 ILE A 87 4.363 -5.895 4.567 1.00 4.23 H new ATOM 1368 N THR A 88 0.838 -3.737 8.900 1.00 21.13 N ATOM 1369 CA THR A 88 0.060 -2.541 9.293 1.00 13.11 C ATOM 1370 C THR A 88 0.221 -1.383 8.264 1.00 40.44 C ATOM 1371 O THR A 88 1.264 -1.287 7.599 1.00 11.33 O ATOM 1372 CB THR A 88 0.491 -2.037 10.711 1.00 53.52 C ATOM 1373 OG1 THR A 88 1.864 -1.632 10.685 1.00 73.02 O ATOM 1374 CG2 THR A 88 0.295 -3.122 11.790 1.00 33.14 C ATOM 0 H THR A 88 1.690 -3.870 9.445 1.00 21.13 H new ATOM 0 HA THR A 88 -0.988 -2.839 9.317 1.00 13.11 H new ATOM 0 HB THR A 88 -0.145 -1.189 10.967 1.00 53.52 H new ATOM 0 HG1 THR A 88 2.051 -1.059 11.458 1.00 73.02 H new ATOM 0 HG21 THR A 88 0.606 -2.732 12.759 1.00 33.14 H new ATOM 0 HG22 THR A 88 -0.756 -3.406 11.834 1.00 33.14 H new ATOM 0 HG23 THR A 88 0.897 -3.996 11.541 1.00 33.14 H new ATOM 1382 N PRO A 89 -0.833 -0.506 8.100 1.00 22.30 N ATOM 1383 CA PRO A 89 -0.785 0.707 7.232 1.00 1.22 C ATOM 1384 C PRO A 89 0.492 1.585 7.374 1.00 44.33 C ATOM 1385 O PRO A 89 0.980 2.135 6.379 1.00 21.54 O ATOM 1386 CB PRO A 89 -2.034 1.492 7.689 1.00 62.45 C ATOM 1387 CG PRO A 89 -3.019 0.429 8.058 1.00 14.31 C ATOM 1388 CD PRO A 89 -2.197 -0.678 8.693 1.00 13.32 C ATOM 0 HA PRO A 89 -0.763 0.425 6.179 1.00 1.22 H new ATOM 0 HB2 PRO A 89 -1.810 2.139 8.537 1.00 62.45 H new ATOM 0 HB3 PRO A 89 -2.417 2.131 6.893 1.00 62.45 H new ATOM 0 HG2 PRO A 89 -3.767 0.811 8.753 1.00 14.31 H new ATOM 0 HG3 PRO A 89 -3.554 0.067 7.180 1.00 14.31 H new ATOM 0 HD2 PRO A 89 -2.174 -0.585 9.779 1.00 13.32 H new ATOM 0 HD3 PRO A 89 -2.609 -1.661 8.466 1.00 13.32 H new ATOM 1396 N GLN A 90 1.028 1.702 8.612 1.00 50.32 N ATOM 1397 CA GLN A 90 2.236 2.517 8.886 1.00 21.31 C ATOM 1398 C GLN A 90 3.536 1.833 8.396 1.00 2.35 C ATOM 1399 O GLN A 90 4.496 2.522 8.040 1.00 64.05 O ATOM 1400 CB GLN A 90 2.310 2.923 10.395 1.00 15.13 C ATOM 1401 CG GLN A 90 2.339 1.782 11.458 1.00 10.53 C ATOM 1402 CD GLN A 90 3.697 1.071 11.651 1.00 62.25 C ATOM 1403 OE1 GLN A 90 3.748 -0.093 12.023 1.00 2.55 O ATOM 1404 NE2 GLN A 90 4.799 1.764 11.430 1.00 50.13 N ATOM 0 H GLN A 90 0.643 1.242 9.437 1.00 50.32 H new ATOM 0 HA GLN A 90 2.146 3.435 8.305 1.00 21.31 H new ATOM 0 HB2 GLN A 90 3.203 3.532 10.534 1.00 15.13 H new ATOM 0 HB3 GLN A 90 1.453 3.560 10.612 1.00 15.13 H new ATOM 0 HG2 GLN A 90 2.029 2.198 12.417 1.00 10.53 H new ATOM 0 HG3 GLN A 90 1.596 1.034 11.180 1.00 10.53 H new ATOM 0 HE21 GLN A 90 4.738 2.734 11.120 1.00 50.13 H new ATOM 0 HE22 GLN A 90 5.711 1.329 11.569 1.00 50.13 H new ATOM 1413 N GLN A 91 3.559 0.479 8.379 1.00 31.14 N ATOM 1414 CA GLN A 91 4.707 -0.297 7.842 1.00 54.05 C ATOM 1415 C GLN A 91 4.833 -0.108 6.319 1.00 50.44 C ATOM 1416 O GLN A 91 5.839 0.409 5.841 1.00 60.13 O ATOM 1417 CB GLN A 91 4.582 -1.813 8.182 1.00 63.04 C ATOM 1418 CG GLN A 91 4.842 -2.178 9.649 1.00 54.43 C ATOM 1419 CD GLN A 91 6.257 -1.813 10.115 1.00 44.54 C ATOM 1420 OE1 GLN A 91 6.499 -0.732 10.636 1.00 5.51 O ATOM 1421 NE2 GLN A 91 7.202 -2.704 9.896 1.00 2.33 N ATOM 0 H GLN A 91 2.797 -0.100 8.731 1.00 31.14 H new ATOM 0 HA GLN A 91 5.608 0.086 8.321 1.00 54.05 H new ATOM 0 HB2 GLN A 91 3.580 -2.148 7.913 1.00 63.04 H new ATOM 0 HB3 GLN A 91 5.282 -2.368 7.557 1.00 63.04 H new ATOM 0 HG2 GLN A 91 4.114 -1.667 10.279 1.00 54.43 H new ATOM 0 HG3 GLN A 91 4.685 -3.248 9.785 1.00 54.43 H new ATOM 0 HE21 GLN A 91 6.970 -3.597 9.460 1.00 2.33 H new ATOM 0 HE22 GLN A 91 8.166 -2.501 10.162 1.00 2.33 H new ATOM 1430 N ILE A 92 3.779 -0.494 5.576 1.00 44.32 N ATOM 1431 CA ILE A 92 3.745 -0.382 4.091 1.00 22.22 C ATOM 1432 C ILE A 92 3.944 1.091 3.612 1.00 22.14 C ATOM 1433 O ILE A 92 4.465 1.328 2.524 1.00 65.54 O ATOM 1434 CB ILE A 92 2.414 -1.005 3.510 1.00 35.13 C ATOM 1435 CG1 ILE A 92 2.328 -0.899 1.943 1.00 44.13 C ATOM 1436 CG2 ILE A 92 1.172 -0.386 4.180 1.00 71.45 C ATOM 1437 CD1 ILE A 92 3.438 -1.619 1.180 1.00 61.44 C ATOM 0 H ILE A 92 2.929 -0.890 5.977 1.00 44.32 H new ATOM 0 HA ILE A 92 4.584 -0.957 3.700 1.00 22.22 H new ATOM 0 HB ILE A 92 2.437 -2.068 3.749 1.00 35.13 H new ATOM 0 HG12 ILE A 92 1.368 -1.301 1.620 1.00 44.13 H new ATOM 0 HG13 ILE A 92 2.343 0.155 1.665 1.00 44.13 H new ATOM 0 HG21 ILE A 92 0.271 -0.834 3.760 1.00 71.45 H new ATOM 0 HG22 ILE A 92 1.205 -0.575 5.253 1.00 71.45 H new ATOM 0 HG23 ILE A 92 1.160 0.689 4.001 1.00 71.45 H new ATOM 0 HD11 ILE A 92 3.289 -1.486 0.109 1.00 61.44 H new ATOM 0 HD12 ILE A 92 4.404 -1.204 1.466 1.00 61.44 H new ATOM 0 HD13 ILE A 92 3.414 -2.682 1.420 1.00 61.44 H new ATOM 1449 N ALA A 93 3.569 2.068 4.459 1.00 4.52 N ATOM 1450 CA ALA A 93 3.802 3.506 4.187 1.00 55.44 C ATOM 1451 C ALA A 93 5.316 3.868 4.164 1.00 31.41 C ATOM 1452 O ALA A 93 5.772 4.594 3.274 1.00 21.22 O ATOM 1453 CB ALA A 93 3.067 4.361 5.231 1.00 40.13 C ATOM 0 H ALA A 93 3.099 1.889 5.346 1.00 4.52 H new ATOM 0 HA ALA A 93 3.407 3.719 3.193 1.00 55.44 H new ATOM 0 HB1 ALA A 93 3.242 5.417 5.025 1.00 40.13 H new ATOM 0 HB2 ALA A 93 1.998 4.155 5.183 1.00 40.13 H new ATOM 0 HB3 ALA A 93 3.439 4.119 6.227 1.00 40.13 H new ATOM 1459 N VAL A 94 6.090 3.339 5.140 1.00 61.12 N ATOM 1460 CA VAL A 94 7.527 3.698 5.329 1.00 51.05 C ATOM 1461 C VAL A 94 8.510 2.715 4.628 1.00 3.32 C ATOM 1462 O VAL A 94 9.678 3.064 4.409 1.00 73.54 O ATOM 1463 CB VAL A 94 7.887 3.803 6.865 1.00 3.21 C ATOM 1464 CG1 VAL A 94 6.998 4.850 7.582 1.00 52.45 C ATOM 1465 CG2 VAL A 94 7.814 2.423 7.576 1.00 11.01 C ATOM 0 H VAL A 94 5.746 2.657 5.816 1.00 61.12 H new ATOM 0 HA VAL A 94 7.652 4.670 4.853 1.00 51.05 H new ATOM 0 HB VAL A 94 8.921 4.143 6.927 1.00 3.21 H new ATOM 0 HG11 VAL A 94 7.271 4.898 8.636 1.00 52.45 H new ATOM 0 HG12 VAL A 94 7.146 5.828 7.124 1.00 52.45 H new ATOM 0 HG13 VAL A 94 5.951 4.562 7.491 1.00 52.45 H new ATOM 0 HG21 VAL A 94 8.069 2.542 8.629 1.00 11.01 H new ATOM 0 HG22 VAL A 94 6.804 2.022 7.490 1.00 11.01 H new ATOM 0 HG23 VAL A 94 8.518 1.735 7.108 1.00 11.01 H new ATOM 1475 N MET A 95 8.043 1.496 4.282 1.00 44.41 N ATOM 1476 CA MET A 95 8.912 0.441 3.695 1.00 52.32 C ATOM 1477 C MET A 95 9.361 0.784 2.250 1.00 24.21 C ATOM 1478 O MET A 95 8.539 1.079 1.384 1.00 51.00 O ATOM 1479 CB MET A 95 8.207 -0.949 3.732 1.00 14.20 C ATOM 1480 CG MET A 95 8.166 -1.608 5.123 1.00 12.01 C ATOM 1481 SD MET A 95 7.246 -3.167 5.136 1.00 62.53 S ATOM 1482 CE MET A 95 8.116 -4.130 3.895 1.00 65.14 C ATOM 0 H MET A 95 7.070 1.214 4.397 1.00 44.41 H new ATOM 0 HA MET A 95 9.810 0.394 4.311 1.00 52.32 H new ATOM 0 HB2 MET A 95 7.186 -0.834 3.368 1.00 14.20 H new ATOM 0 HB3 MET A 95 8.718 -1.620 3.041 1.00 14.20 H new ATOM 0 HG2 MET A 95 9.185 -1.790 5.463 1.00 12.01 H new ATOM 0 HG3 MET A 95 7.711 -0.918 5.833 1.00 12.01 H new ATOM 0 HE1 MET A 95 7.849 -5.182 3.998 1.00 65.14 H new ATOM 0 HE2 MET A 95 7.837 -3.780 2.901 1.00 65.14 H new ATOM 0 HE3 MET A 95 9.191 -4.013 4.032 1.00 65.14 H new ATOM 1492 N THR A 96 10.682 0.740 2.024 1.00 24.31 N ATOM 1493 CA THR A 96 11.304 0.945 0.695 1.00 33.33 C ATOM 1494 C THR A 96 11.493 -0.401 -0.040 1.00 3.31 C ATOM 1495 O THR A 96 11.211 -1.460 0.522 1.00 15.44 O ATOM 1496 CB THR A 96 12.705 1.631 0.849 1.00 54.02 C ATOM 1497 OG1 THR A 96 13.587 0.768 1.595 1.00 51.35 O ATOM 1498 CG2 THR A 96 12.604 2.994 1.558 1.00 24.21 C ATOM 0 H THR A 96 11.362 0.559 2.763 1.00 24.31 H new ATOM 0 HA THR A 96 10.638 1.584 0.115 1.00 33.33 H new ATOM 0 HB THR A 96 13.101 1.803 -0.152 1.00 54.02 H new ATOM 0 HG1 THR A 96 14.327 1.295 1.963 1.00 51.35 H new ATOM 0 HG21 THR A 96 13.598 3.434 1.644 1.00 24.21 H new ATOM 0 HG22 THR A 96 11.961 3.658 0.980 1.00 24.21 H new ATOM 0 HG23 THR A 96 12.181 2.856 2.553 1.00 24.21 H new ATOM 1506 N SER A 97 11.999 -0.345 -1.291 1.00 61.14 N ATOM 1507 CA SER A 97 12.396 -1.553 -2.073 1.00 71.34 C ATOM 1508 C SER A 97 13.528 -2.336 -1.361 1.00 64.00 C ATOM 1509 O SER A 97 13.619 -3.559 -1.469 1.00 11.21 O ATOM 1510 CB SER A 97 12.850 -1.140 -3.493 1.00 51.52 C ATOM 1511 OG SER A 97 13.947 -0.235 -3.438 1.00 3.02 O ATOM 0 H SER A 97 12.146 0.531 -1.792 1.00 61.14 H new ATOM 0 HA SER A 97 11.527 -2.207 -2.148 1.00 71.34 H new ATOM 0 HB2 SER A 97 13.134 -2.027 -4.059 1.00 51.52 H new ATOM 0 HB3 SER A 97 12.018 -0.676 -4.023 1.00 51.52 H new ATOM 0 HG SER A 97 14.216 0.009 -4.348 1.00 3.02 H new ATOM 1517 N GLU A 98 14.374 -1.593 -0.626 1.00 54.25 N ATOM 1518 CA GLU A 98 15.443 -2.153 0.234 1.00 35.42 C ATOM 1519 C GLU A 98 14.845 -3.043 1.359 1.00 43.41 C ATOM 1520 O GLU A 98 15.314 -4.157 1.603 1.00 10.33 O ATOM 1521 CB GLU A 98 16.261 -0.985 0.849 1.00 44.23 C ATOM 1522 CG GLU A 98 16.833 0.010 -0.188 1.00 15.23 C ATOM 1523 CD GLU A 98 17.376 1.299 0.454 1.00 2.44 C ATOM 1524 OE1 GLU A 98 16.592 2.257 0.638 1.00 43.52 O ATOM 1525 OE2 GLU A 98 18.573 1.353 0.803 1.00 23.04 O ATOM 0 H GLU A 98 14.338 -0.574 -0.609 1.00 54.25 H new ATOM 0 HA GLU A 98 16.095 -2.780 -0.373 1.00 35.42 H new ATOM 0 HB2 GLU A 98 15.625 -0.439 1.546 1.00 44.23 H new ATOM 0 HB3 GLU A 98 17.085 -1.401 1.429 1.00 44.23 H new ATOM 0 HG2 GLU A 98 17.632 -0.476 -0.747 1.00 15.23 H new ATOM 0 HG3 GLU A 98 16.053 0.268 -0.905 1.00 15.23 H new ATOM 1532 N GLU A 99 13.787 -2.531 2.017 1.00 2.41 N ATOM 1533 CA GLU A 99 13.058 -3.261 3.088 1.00 12.13 C ATOM 1534 C GLU A 99 12.242 -4.454 2.526 1.00 64.25 C ATOM 1535 O GLU A 99 12.122 -5.499 3.170 1.00 11.10 O ATOM 1536 CB GLU A 99 12.133 -2.276 3.854 1.00 14.14 C ATOM 1537 CG GLU A 99 12.862 -1.073 4.496 1.00 61.05 C ATOM 1538 CD GLU A 99 13.927 -1.486 5.532 1.00 1.23 C ATOM 1539 OE1 GLU A 99 13.571 -1.716 6.708 1.00 0.23 O ATOM 1540 OE2 GLU A 99 15.125 -1.597 5.173 1.00 13.12 O ATOM 0 H GLU A 99 13.410 -1.603 1.826 1.00 2.41 H new ATOM 0 HA GLU A 99 13.795 -3.676 3.776 1.00 12.13 H new ATOM 0 HB2 GLU A 99 11.376 -1.900 3.166 1.00 14.14 H new ATOM 0 HB3 GLU A 99 11.608 -2.825 4.636 1.00 14.14 H new ATOM 0 HG2 GLU A 99 13.338 -0.485 3.711 1.00 61.05 H new ATOM 0 HG3 GLU A 99 12.128 -0.427 4.978 1.00 61.05 H new ATOM 1547 N MET A 100 11.702 -4.270 1.309 1.00 34.24 N ATOM 1548 CA MET A 100 10.964 -5.318 0.564 1.00 74.34 C ATOM 1549 C MET A 100 11.897 -6.468 0.104 1.00 63.34 C ATOM 1550 O MET A 100 11.458 -7.610 -0.051 1.00 71.41 O ATOM 1551 CB MET A 100 10.275 -4.685 -0.669 1.00 1.40 C ATOM 1552 CG MET A 100 9.097 -3.753 -0.361 1.00 1.12 C ATOM 1553 SD MET A 100 8.541 -2.836 -1.821 1.00 43.40 S ATOM 1554 CE MET A 100 8.378 -4.146 -3.043 1.00 51.21 C ATOM 0 H MET A 100 11.763 -3.385 0.806 1.00 34.24 H new ATOM 0 HA MET A 100 10.219 -5.744 1.236 1.00 74.34 H new ATOM 0 HB2 MET A 100 11.021 -4.125 -1.233 1.00 1.40 H new ATOM 0 HB3 MET A 100 9.921 -5.487 -1.317 1.00 1.40 H new ATOM 0 HG2 MET A 100 8.267 -4.339 0.034 1.00 1.12 H new ATOM 0 HG3 MET A 100 9.389 -3.048 0.418 1.00 1.12 H new ATOM 0 HE1 MET A 100 7.606 -3.877 -3.764 1.00 51.21 H new ATOM 0 HE2 MET A 100 9.328 -4.281 -3.561 1.00 51.21 H new ATOM 0 HE3 MET A 100 8.101 -5.075 -2.545 1.00 51.21 H new ATOM 1564 N ALA A 101 13.189 -6.146 -0.120 1.00 53.23 N ATOM 1565 CA ALA A 101 14.207 -7.139 -0.541 1.00 53.43 C ATOM 1566 C ALA A 101 14.463 -8.217 0.556 1.00 62.45 C ATOM 1567 O ALA A 101 15.014 -9.286 0.265 1.00 21.44 O ATOM 1568 CB ALA A 101 15.517 -6.426 -0.931 1.00 62.44 C ATOM 0 H ALA A 101 13.556 -5.200 -0.016 1.00 53.23 H new ATOM 0 HA ALA A 101 13.818 -7.663 -1.414 1.00 53.43 H new ATOM 0 HB1 ALA A 101 16.256 -7.166 -1.238 1.00 62.44 H new ATOM 0 HB2 ALA A 101 15.326 -5.740 -1.756 1.00 62.44 H new ATOM 0 HB3 ALA A 101 15.896 -5.868 -0.075 1.00 62.44 H new ATOM 1574 N SER A 102 14.058 -7.913 1.814 1.00 41.22 N ATOM 1575 CA SER A 102 14.057 -8.888 2.932 1.00 54.11 C ATOM 1576 C SER A 102 12.874 -9.883 2.784 1.00 72.11 C ATOM 1577 O SER A 102 11.836 -9.769 3.455 1.00 14.35 O ATOM 1578 CB SER A 102 14.001 -8.154 4.299 1.00 32.03 C ATOM 1579 OG SER A 102 15.114 -7.284 4.460 1.00 55.41 O ATOM 0 H SER A 102 13.724 -6.987 2.081 1.00 41.22 H new ATOM 0 HA SER A 102 14.985 -9.458 2.895 1.00 54.11 H new ATOM 0 HB2 SER A 102 13.076 -7.582 4.370 1.00 32.03 H new ATOM 0 HB3 SER A 102 13.987 -8.885 5.107 1.00 32.03 H new ATOM 0 HG SER A 102 15.054 -6.833 5.328 1.00 55.41 H new ATOM 1585 N ASP A 103 13.060 -10.848 1.865 1.00 3.12 N ATOM 1586 CA ASP A 103 12.049 -11.866 1.503 1.00 65.10 C ATOM 1587 C ASP A 103 11.738 -12.823 2.688 1.00 11.33 C ATOM 1588 O ASP A 103 10.581 -13.222 2.895 1.00 33.11 O ATOM 1589 CB ASP A 103 12.567 -12.652 0.267 1.00 2.44 C ATOM 1590 CG ASP A 103 11.563 -13.678 -0.285 1.00 71.20 C ATOM 1591 OD1 ASP A 103 10.619 -13.278 -0.996 1.00 71.12 O ATOM 1592 OD2 ASP A 103 11.708 -14.888 -0.009 1.00 61.15 O ATOM 0 H ASP A 103 13.931 -10.946 1.343 1.00 3.12 H new ATOM 0 HA ASP A 103 11.110 -11.368 1.260 1.00 65.10 H new ATOM 0 HB2 ASP A 103 12.819 -11.944 -0.522 1.00 2.44 H new ATOM 0 HB3 ASP A 103 13.488 -13.169 0.537 1.00 2.44 H new ATOM 1597 N GLU A 104 12.793 -13.143 3.458 1.00 11.13 N ATOM 1598 CA GLU A 104 12.749 -14.067 4.622 1.00 11.20 C ATOM 1599 C GLU A 104 11.762 -13.615 5.732 1.00 4.13 C ATOM 1600 O GLU A 104 11.023 -14.428 6.287 1.00 30.13 O ATOM 1601 CB GLU A 104 14.179 -14.184 5.216 1.00 61.11 C ATOM 1602 CG GLU A 104 15.232 -14.763 4.244 1.00 65.33 C ATOM 1603 CD GLU A 104 16.678 -14.578 4.740 1.00 4.11 C ATOM 1604 OE1 GLU A 104 17.096 -15.293 5.674 1.00 55.14 O ATOM 1605 OE2 GLU A 104 17.402 -13.706 4.205 1.00 0.34 O ATOM 0 H GLU A 104 13.724 -12.762 3.291 1.00 11.13 H new ATOM 0 HA GLU A 104 12.387 -15.029 4.260 1.00 11.20 H new ATOM 0 HB2 GLU A 104 14.506 -13.196 5.539 1.00 61.11 H new ATOM 0 HB3 GLU A 104 14.139 -14.813 6.105 1.00 61.11 H new ATOM 0 HG2 GLU A 104 15.037 -15.825 4.098 1.00 65.33 H new ATOM 0 HG3 GLU A 104 15.123 -14.282 3.272 1.00 65.33 H new ATOM 1612 N LEU A 105 11.751 -12.307 6.037 1.00 52.02 N ATOM 1613 CA LEU A 105 10.989 -11.751 7.190 1.00 52.05 C ATOM 1614 C LEU A 105 9.480 -11.532 6.904 1.00 72.34 C ATOM 1615 O LEU A 105 8.731 -11.143 7.807 1.00 42.25 O ATOM 1616 CB LEU A 105 11.646 -10.433 7.667 1.00 42.11 C ATOM 1617 CG LEU A 105 13.135 -10.548 8.131 1.00 51.23 C ATOM 1618 CD1 LEU A 105 13.623 -9.220 8.736 1.00 15.30 C ATOM 1619 CD2 LEU A 105 13.338 -11.728 9.121 1.00 71.31 C ATOM 0 H LEU A 105 12.261 -11.603 5.503 1.00 52.02 H new ATOM 0 HA LEU A 105 11.034 -12.502 7.979 1.00 52.05 H new ATOM 0 HB2 LEU A 105 11.592 -9.707 6.856 1.00 42.11 H new ATOM 0 HB3 LEU A 105 11.057 -10.033 8.492 1.00 42.11 H new ATOM 0 HG LEU A 105 13.741 -10.761 7.250 1.00 51.23 H new ATOM 0 HD11 LEU A 105 14.661 -9.324 9.052 1.00 15.30 H new ATOM 0 HD12 LEU A 105 13.548 -8.430 7.988 1.00 15.30 H new ATOM 0 HD13 LEU A 105 13.006 -8.964 9.597 1.00 15.30 H new ATOM 0 HD21 LEU A 105 14.385 -11.776 9.421 1.00 71.31 H new ATOM 0 HD22 LEU A 105 12.715 -11.575 10.002 1.00 71.31 H new ATOM 0 HD23 LEU A 105 13.057 -12.663 8.636 1.00 71.31 H new ATOM 1631 N LYS A 106 9.035 -11.779 5.657 1.00 4.44 N ATOM 1632 CA LYS A 106 7.616 -11.580 5.255 1.00 64.35 C ATOM 1633 C LYS A 106 6.638 -12.573 5.943 1.00 24.24 C ATOM 1634 O LYS A 106 5.466 -12.239 6.175 1.00 4.53 O ATOM 1635 CB LYS A 106 7.479 -11.634 3.720 1.00 62.05 C ATOM 1636 CG LYS A 106 8.156 -10.437 3.006 1.00 14.13 C ATOM 1637 CD LYS A 106 7.740 -10.290 1.523 1.00 5.12 C ATOM 1638 CE LYS A 106 8.517 -11.202 0.548 1.00 24.20 C ATOM 1639 NZ LYS A 106 8.404 -12.652 0.857 1.00 73.11 N ATOM 0 H LYS A 106 9.634 -12.118 4.904 1.00 4.44 H new ATOM 0 HA LYS A 106 7.327 -10.588 5.602 1.00 64.35 H new ATOM 0 HB2 LYS A 106 7.918 -12.562 3.355 1.00 62.05 H new ATOM 0 HB3 LYS A 106 6.422 -11.656 3.456 1.00 62.05 H new ATOM 0 HG2 LYS A 106 7.908 -9.519 3.538 1.00 14.13 H new ATOM 0 HG3 LYS A 106 9.238 -10.555 3.062 1.00 14.13 H new ATOM 0 HD2 LYS A 106 6.676 -10.507 1.434 1.00 5.12 H new ATOM 0 HD3 LYS A 106 7.880 -9.252 1.220 1.00 5.12 H new ATOM 0 HE2 LYS A 106 8.154 -11.027 -0.465 1.00 24.20 H new ATOM 0 HE3 LYS A 106 9.569 -10.919 0.562 1.00 24.20 H new ATOM 0 HZ1 LYS A 106 8.678 -13.207 0.021 1.00 73.11 H new ATOM 0 HZ2 LYS A 106 9.033 -12.888 1.651 1.00 73.11 H new ATOM 0 HZ3 LYS A 106 7.422 -12.876 1.115 1.00 73.11 H new ATOM 1653 N GLU A 107 7.124 -13.789 6.260 1.00 73.25 N ATOM 1654 CA GLU A 107 6.355 -14.800 7.036 1.00 14.13 C ATOM 1655 C GLU A 107 6.990 -15.067 8.428 1.00 73.05 C ATOM 1656 O GLU A 107 6.261 -15.282 9.405 1.00 61.21 O ATOM 1657 CB GLU A 107 6.235 -16.128 6.234 1.00 1.13 C ATOM 1658 CG GLU A 107 5.384 -16.013 4.949 1.00 44.11 C ATOM 1659 CD GLU A 107 5.309 -17.326 4.148 1.00 53.20 C ATOM 1660 OE1 GLU A 107 6.185 -17.555 3.285 1.00 1.11 O ATOM 1661 OE2 GLU A 107 4.396 -18.143 4.395 1.00 64.40 O ATOM 0 H GLU A 107 8.056 -14.104 5.990 1.00 73.25 H new ATOM 0 HA GLU A 107 5.357 -14.393 7.201 1.00 14.13 H new ATOM 0 HB2 GLU A 107 7.235 -16.470 5.966 1.00 1.13 H new ATOM 0 HB3 GLU A 107 5.799 -16.891 6.879 1.00 1.13 H new ATOM 0 HG2 GLU A 107 4.375 -15.701 5.217 1.00 44.11 H new ATOM 0 HG3 GLU A 107 5.801 -15.232 4.314 1.00 44.11 H new ATOM 1668 N ILE A 108 8.343 -15.048 8.510 1.00 34.32 N ATOM 1669 CA ILE A 108 9.077 -15.375 9.763 1.00 63.25 C ATOM 1670 C ILE A 108 8.913 -14.257 10.832 1.00 73.12 C ATOM 1671 O ILE A 108 9.577 -13.213 10.777 1.00 12.12 O ATOM 1672 CB ILE A 108 10.611 -15.657 9.482 1.00 24.43 C ATOM 1673 CG1 ILE A 108 10.775 -16.824 8.443 1.00 30.35 C ATOM 1674 CG2 ILE A 108 11.393 -15.967 10.794 1.00 43.45 C ATOM 1675 CD1 ILE A 108 10.167 -18.160 8.868 1.00 13.14 C ATOM 0 H ILE A 108 8.950 -14.810 7.725 1.00 34.32 H new ATOM 0 HA ILE A 108 8.634 -16.288 10.161 1.00 63.25 H new ATOM 0 HB ILE A 108 11.041 -14.750 9.057 1.00 24.43 H new ATOM 0 HG12 ILE A 108 10.319 -16.518 7.501 1.00 30.35 H new ATOM 0 HG13 ILE A 108 11.838 -16.971 8.250 1.00 30.35 H new ATOM 0 HG21 ILE A 108 12.440 -16.154 10.558 1.00 43.45 H new ATOM 0 HG22 ILE A 108 11.320 -15.116 11.471 1.00 43.45 H new ATOM 0 HG23 ILE A 108 10.966 -16.848 11.273 1.00 43.45 H new ATOM 0 HD11 ILE A 108 10.332 -18.900 8.085 1.00 13.14 H new ATOM 0 HD12 ILE A 108 10.638 -18.497 9.791 1.00 13.14 H new ATOM 0 HD13 ILE A 108 9.096 -18.037 9.031 1.00 13.14 H new ATOM 1687 N ARG A 109 7.990 -14.490 11.787 1.00 42.13 N ATOM 1688 CA ARG A 109 7.725 -13.577 12.927 1.00 72.24 C ATOM 1689 C ARG A 109 7.899 -14.321 14.277 1.00 64.51 C ATOM 1690 O ARG A 109 8.573 -13.822 15.188 1.00 24.45 O ATOM 1691 CB ARG A 109 6.296 -12.978 12.831 1.00 21.52 C ATOM 1692 CG ARG A 109 6.077 -12.045 11.614 1.00 23.11 C ATOM 1693 CD ARG A 109 4.735 -11.304 11.688 1.00 63.14 C ATOM 1694 NE ARG A 109 4.564 -10.323 10.603 1.00 34.35 N ATOM 1695 CZ ARG A 109 3.718 -9.305 10.621 1.00 5.42 C ATOM 1696 NH1 ARG A 109 2.932 -9.090 11.633 1.00 71.04 N ATOM 1697 NH2 ARG A 109 3.672 -8.499 9.614 1.00 14.22 N ATOM 0 H ARG A 109 7.401 -15.323 11.792 1.00 42.13 H new ATOM 0 HA ARG A 109 8.448 -12.763 12.881 1.00 72.24 H new ATOM 0 HB2 ARG A 109 5.575 -13.794 12.783 1.00 21.52 H new ATOM 0 HB3 ARG A 109 6.086 -12.421 13.744 1.00 21.52 H new ATOM 0 HG2 ARG A 109 6.889 -11.319 11.563 1.00 23.11 H new ATOM 0 HG3 ARG A 109 6.116 -12.632 10.696 1.00 23.11 H new ATOM 0 HD2 ARG A 109 3.922 -12.029 11.647 1.00 63.14 H new ATOM 0 HD3 ARG A 109 4.659 -10.794 12.648 1.00 63.14 H new ATOM 0 HE ARG A 109 5.144 -10.437 9.771 1.00 34.35 H new ATOM 0 HH11 ARG A 109 2.957 -9.713 12.440 1.00 71.04 H new ATOM 0 HH12 ARG A 109 2.290 -8.298 11.621 1.00 71.04 H new ATOM 0 HH21 ARG A 109 4.285 -8.649 8.812 1.00 14.22 H new ATOM 0 HH22 ARG A 109 3.023 -7.712 9.620 1.00 14.22 H new ATOM 1711 N LYS A 110 7.284 -15.518 14.385 1.00 13.33 N ATOM 1712 CA LYS A 110 7.312 -16.336 15.622 1.00 61.44 C ATOM 1713 C LYS A 110 8.672 -17.078 15.772 1.00 60.41 C ATOM 1714 O LYS A 110 9.523 -16.636 16.551 1.00 11.40 O ATOM 1715 CB LYS A 110 6.117 -17.333 15.638 1.00 52.31 C ATOM 1716 CG LYS A 110 4.716 -16.697 15.416 1.00 4.52 C ATOM 1717 CD LYS A 110 4.326 -15.642 16.488 1.00 10.32 C ATOM 1718 CE LYS A 110 4.197 -16.233 17.903 1.00 53.34 C ATOM 1719 NZ LYS A 110 3.180 -17.313 17.980 1.00 51.22 N ATOM 0 H LYS A 110 6.756 -15.945 13.624 1.00 13.33 H new ATOM 0 HA LYS A 110 7.209 -15.670 16.479 1.00 61.44 H new ATOM 0 HB2 LYS A 110 6.283 -18.085 14.866 1.00 52.31 H new ATOM 0 HB3 LYS A 110 6.113 -17.854 16.595 1.00 52.31 H new ATOM 0 HG2 LYS A 110 4.693 -16.227 14.433 1.00 4.52 H new ATOM 0 HG3 LYS A 110 3.966 -17.488 15.409 1.00 4.52 H new ATOM 0 HD2 LYS A 110 5.076 -14.851 16.499 1.00 10.32 H new ATOM 0 HD3 LYS A 110 3.379 -15.181 16.207 1.00 10.32 H new ATOM 0 HE2 LYS A 110 5.164 -16.626 18.218 1.00 53.34 H new ATOM 0 HE3 LYS A 110 3.932 -15.439 18.602 1.00 53.34 H new ATOM 0 HZ1 LYS A 110 3.047 -17.595 18.972 1.00 51.22 H new ATOM 0 HZ2 LYS A 110 2.278 -16.968 17.594 1.00 51.22 H new ATOM 0 HZ3 LYS A 110 3.502 -18.133 17.427 1.00 51.22 H new ATOM 1733 N ALA A 111 8.846 -18.187 15.003 1.00 23.11 N ATOM 1734 CA ALA A 111 10.098 -18.997 14.929 1.00 61.01 C ATOM 1735 C ALA A 111 10.479 -19.692 16.276 1.00 21.04 C ATOM 1736 O ALA A 111 10.346 -20.919 16.414 1.00 72.31 O ATOM 1737 CB ALA A 111 11.265 -18.158 14.360 1.00 23.15 C ATOM 0 H ALA A 111 8.106 -18.552 14.404 1.00 23.11 H new ATOM 0 HA ALA A 111 9.894 -19.814 14.236 1.00 61.01 H new ATOM 0 HB1 ALA A 111 12.166 -18.770 14.316 1.00 23.15 H new ATOM 0 HB2 ALA A 111 11.011 -17.814 13.357 1.00 23.15 H new ATOM 0 HB3 ALA A 111 11.443 -17.297 15.005 1.00 23.15 H new ATOM 1743 N MET A 112 10.966 -18.899 17.252 1.00 21.02 N ATOM 1744 CA MET A 112 11.360 -19.384 18.594 1.00 75.41 C ATOM 1745 C MET A 112 10.116 -19.735 19.448 1.00 13.12 C ATOM 1746 O MET A 112 9.398 -18.845 19.914 1.00 31.24 O ATOM 1747 CB MET A 112 12.228 -18.308 19.313 1.00 71.21 C ATOM 1748 CG MET A 112 12.697 -18.687 20.730 1.00 72.42 C ATOM 1749 SD MET A 112 13.686 -17.390 21.506 1.00 31.13 S ATOM 1750 CE MET A 112 13.906 -18.038 23.164 1.00 73.41 C ATOM 0 H MET A 112 11.099 -17.895 17.132 1.00 21.02 H new ATOM 0 HA MET A 112 11.948 -20.293 18.472 1.00 75.41 H new ATOM 0 HB2 MET A 112 13.105 -18.102 18.700 1.00 71.21 H new ATOM 0 HB3 MET A 112 11.656 -17.382 19.372 1.00 71.21 H new ATOM 0 HG2 MET A 112 11.827 -18.897 21.352 1.00 72.42 H new ATOM 0 HG3 MET A 112 13.283 -19.605 20.681 1.00 72.42 H new ATOM 0 HE1 MET A 112 14.499 -17.338 23.753 1.00 73.41 H new ATOM 0 HE2 MET A 112 12.932 -18.173 23.634 1.00 73.41 H new ATOM 0 HE3 MET A 112 14.421 -18.997 23.114 1.00 73.41 H new ATOM 1760 N THR A 113 9.865 -21.044 19.620 1.00 41.01 N ATOM 1761 CA THR A 113 8.747 -21.566 20.452 1.00 24.30 C ATOM 1762 C THR A 113 9.192 -22.812 21.272 1.00 4.41 C ATOM 1763 O THR A 113 8.956 -22.851 22.501 1.00 37.63 O ATOM 1764 CB THR A 113 7.470 -21.890 19.592 1.00 20.53 C ATOM 1765 OG1 THR A 113 6.461 -22.515 20.404 1.00 53.24 O ATOM 1766 CG2 THR A 113 7.769 -22.776 18.372 1.00 4.34 C ATOM 1767 OXT THR A 113 9.831 -23.722 20.698 1.00 37.63 O ATOM 0 H THR A 113 10.427 -21.778 19.189 1.00 41.01 H new ATOM 0 HA THR A 113 8.475 -20.775 21.151 1.00 24.30 H new ATOM 0 HB THR A 113 7.108 -20.934 19.215 1.00 20.53 H new ATOM 0 HG1 THR A 113 5.673 -22.709 19.855 1.00 53.24 H new ATOM 0 HG21 THR A 113 6.846 -22.962 17.822 1.00 4.34 H new ATOM 0 HG22 THR A 113 8.483 -22.271 17.722 1.00 4.34 H new ATOM 0 HG23 THR A 113 8.190 -23.725 18.706 1.00 4.34 H new TER 1775 THR A 113