USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 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 85 GLN :FLIP amide:sc= 1.11 F(o=-1.5,f=0.67) USER MOD Set 1.2: A 106 THR OG1 : rot -17:sc= 0.979 USER MOD Set 1.3: A 111 HIS : no HE2:sc= -1.42 K(o=0.67,f=-2.6!) USER MOD Set 2.1: A 65 SER OG : rot -135:sc= 1.92 USER MOD Set 2.2: A 69 SER OG : rot 97:sc= 2.4 USER MOD Set 3.1: A 48 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.038) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0.532 K(o=1.2,f=-4.3!) USER MOD Set 4.2: A 21 SER OG : rot 98:sc= 0.666 USER MOD Single : A 11 CYS SG : rot 42:sc= -3.4! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.643 F(o=-1.2,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.05 (180deg=1.03) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0464 F(o=-0.87,f=-0.046) USER MOD Single : A 25 SER OG : rot 180:sc= -0.433 USER MOD Single : A 26 SER OG : rot 180:sc= 0.784 USER MOD Single : A 29 GLN : amide:sc= -1.56! C(o=-1.6!,f=-6.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 46 TYR OH : rot -80:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.032) USER MOD Single : A 52 SER OG : rot 80:sc= 0.811 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 98:sc= 1.24 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0181 F(o=-1.2,f=-0.018) USER MOD Single : A 84 MET CE :methyl 164:sc= -0.0601 (180deg=-0.445) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -81:sc= 0.881 USER MOD Single : A 97 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 100 MET CE :methyl 165:sc= -0.522 (180deg=-1.44) USER MOD Single : A 101 SER OG : rot 140:sc= -2.23! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 175:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 7.848 17.997 2.774 1.00 10.30 N ATOM 72 CA PRO A 6 6.461 18.392 3.049 1.00 51.14 C ATOM 73 C PRO A 6 5.967 17.915 4.416 1.00 64.23 C ATOM 74 O PRO A 6 6.546 17.006 5.023 1.00 55.34 O ATOM 75 CB PRO A 6 5.664 17.719 1.924 1.00 72.22 C ATOM 76 CG PRO A 6 6.528 16.604 1.450 1.00 22.43 C ATOM 77 CD PRO A 6 7.940 17.061 1.640 1.00 31.11 C ATOM 0 HA PRO A 6 6.352 19.476 3.078 1.00 51.14 H new ATOM 0 HB2 PRO A 6 4.706 17.348 2.287 1.00 72.22 H new ATOM 0 HB3 PRO A 6 5.449 18.421 1.118 1.00 72.22 H new ATOM 0 HG2 PRO A 6 6.334 15.693 2.016 1.00 22.43 H new ATOM 0 HG3 PRO A 6 6.330 16.376 0.403 1.00 22.43 H new ATOM 0 HD2 PRO A 6 8.606 16.227 1.861 1.00 31.11 H new ATOM 0 HD3 PRO A 6 8.328 17.550 0.746 1.00 31.11 H new ATOM 85 N ALA A 7 4.900 18.534 4.894 1.00 21.41 N ATOM 86 CA ALA A 7 4.321 18.191 6.183 1.00 63.03 C ATOM 87 C ALA A 7 3.079 17.329 6.008 1.00 53.21 C ATOM 88 O ALA A 7 2.774 16.488 6.850 1.00 75.32 O ATOM 89 CB ALA A 7 3.988 19.450 6.966 1.00 72.32 C ATOM 0 H ALA A 7 4.413 19.284 4.403 1.00 21.41 H new ATOM 0 HA ALA A 7 5.057 17.616 6.745 1.00 63.03 H new ATOM 0 HB1 ALA A 7 3.555 19.176 7.928 1.00 72.32 H new ATOM 0 HB2 ALA A 7 4.897 20.029 7.128 1.00 72.32 H new ATOM 0 HB3 ALA A 7 3.272 20.049 6.404 1.00 72.32 H new ATOM 95 N ARG A 8 2.368 17.546 4.909 1.00 2.33 N ATOM 96 CA ARG A 8 1.160 16.790 4.600 1.00 30.10 C ATOM 97 C ARG A 8 1.124 16.435 3.125 1.00 61.14 C ATOM 98 O ARG A 8 1.311 17.300 2.271 1.00 21.34 O ATOM 99 CB ARG A 8 -0.100 17.594 4.962 1.00 50.21 C ATOM 100 CG ARG A 8 -0.255 17.885 6.442 1.00 1.42 C ATOM 101 CD ARG A 8 -1.557 18.610 6.730 1.00 2.13 C ATOM 102 NE ARG A 8 -1.740 18.858 8.161 1.00 62.12 N ATOM 103 CZ ARG A 8 -2.925 19.039 8.750 1.00 31.15 C ATOM 104 NH1 ARG A 8 -4.043 19.017 8.028 1.00 2.54 N ATOM 105 NH2 ARG A 8 -2.989 19.250 10.062 1.00 35.42 N ATOM 0 H ARG A 8 2.610 18.247 4.209 1.00 2.33 H new ATOM 0 HA ARG A 8 1.177 15.876 5.194 1.00 30.10 H new ATOM 0 HB2 ARG A 8 -0.082 18.539 4.419 1.00 50.21 H new ATOM 0 HB3 ARG A 8 -0.977 17.046 4.618 1.00 50.21 H new ATOM 0 HG2 ARG A 8 -0.225 16.951 7.003 1.00 1.42 H new ATOM 0 HG3 ARG A 8 0.584 18.490 6.785 1.00 1.42 H new ATOM 0 HD2 ARG A 8 -1.571 19.558 6.193 1.00 2.13 H new ATOM 0 HD3 ARG A 8 -2.392 18.019 6.354 1.00 2.13 H new ATOM 0 HE ARG A 8 -0.907 18.895 8.748 1.00 62.12 H new ATOM 0 HH11 ARG A 8 -3.997 18.861 7.021 1.00 2.54 H new ATOM 0 HH12 ARG A 8 -4.946 19.156 8.482 1.00 2.54 H new ATOM 0 HH21 ARG A 8 -2.134 19.273 10.617 1.00 35.42 H new ATOM 0 HH22 ARG A 8 -3.893 19.388 10.513 1.00 35.42 H new ATOM 119 N VAL A 9 0.891 15.170 2.828 1.00 13.25 N ATOM 120 CA VAL A 9 0.814 14.707 1.443 1.00 73.23 C ATOM 121 C VAL A 9 -0.360 13.762 1.267 1.00 54.12 C ATOM 122 O VAL A 9 -0.871 13.213 2.244 1.00 34.43 O ATOM 123 CB VAL A 9 2.112 13.984 0.987 1.00 10.23 C ATOM 124 CG1 VAL A 9 3.304 14.923 1.036 1.00 44.31 C ATOM 125 CG2 VAL A 9 2.371 12.743 1.830 1.00 32.23 C ATOM 0 H VAL A 9 0.751 14.438 3.525 1.00 13.25 H new ATOM 0 HA VAL A 9 0.683 15.595 0.824 1.00 73.23 H new ATOM 0 HB VAL A 9 1.971 13.668 -0.047 1.00 10.23 H new ATOM 0 HG11 VAL A 9 4.199 14.392 0.712 1.00 44.31 H new ATOM 0 HG12 VAL A 9 3.126 15.771 0.375 1.00 44.31 H new ATOM 0 HG13 VAL A 9 3.444 15.281 2.056 1.00 44.31 H new ATOM 0 HG21 VAL A 9 3.285 12.256 1.490 1.00 32.23 H new ATOM 0 HG22 VAL A 9 2.480 13.030 2.876 1.00 32.23 H new ATOM 0 HG23 VAL A 9 1.533 12.053 1.729 1.00 32.23 H new ATOM 135 N ARG A 10 -0.787 13.578 0.033 1.00 31.24 N ATOM 136 CA ARG A 10 -1.889 12.681 -0.261 1.00 54.54 C ATOM 137 C ARG A 10 -1.381 11.431 -0.957 1.00 34.55 C ATOM 138 O ARG A 10 -0.842 11.508 -2.062 1.00 63.10 O ATOM 139 CB ARG A 10 -2.932 13.368 -1.134 1.00 72.11 C ATOM 140 CG ARG A 10 -4.079 12.458 -1.520 1.00 64.31 C ATOM 141 CD ARG A 10 -5.070 13.149 -2.431 1.00 2.52 C ATOM 142 NE ARG A 10 -6.118 12.230 -2.864 1.00 30.33 N ATOM 143 CZ ARG A 10 -6.940 12.451 -3.889 1.00 61.35 C ATOM 144 NH1 ARG A 10 -6.844 13.569 -4.595 1.00 24.52 N ATOM 145 NH2 ARG A 10 -7.862 11.550 -4.209 1.00 14.20 N ATOM 0 H ARG A 10 -0.387 14.039 -0.784 1.00 31.24 H new ATOM 0 HA ARG A 10 -2.356 12.401 0.683 1.00 54.54 H new ATOM 0 HB2 ARG A 10 -3.327 14.235 -0.604 1.00 72.11 H new ATOM 0 HB3 ARG A 10 -2.451 13.740 -2.039 1.00 72.11 H new ATOM 0 HG2 ARG A 10 -3.686 11.571 -2.018 1.00 64.31 H new ATOM 0 HG3 ARG A 10 -4.591 12.118 -0.620 1.00 64.31 H new ATOM 0 HD2 ARG A 10 -5.517 13.996 -1.911 1.00 2.52 H new ATOM 0 HD3 ARG A 10 -4.550 13.549 -3.302 1.00 2.52 H new ATOM 0 HE ARG A 10 -6.229 11.358 -2.346 1.00 30.33 H new ATOM 0 HH11 ARG A 10 -6.138 14.265 -4.354 1.00 24.52 H new ATOM 0 HH12 ARG A 10 -7.476 13.733 -5.379 1.00 24.52 H new ATOM 0 HH21 ARG A 10 -7.941 10.688 -3.670 1.00 14.20 H new ATOM 0 HH22 ARG A 10 -8.491 11.720 -4.994 1.00 14.20 H new ATOM 159 N CYS A 11 -1.561 10.287 -0.325 1.00 73.23 N ATOM 160 CA CYS A 11 -1.099 9.034 -0.894 1.00 51.43 C ATOM 161 C CYS A 11 -2.139 7.932 -0.736 1.00 44.41 C ATOM 162 O CYS A 11 -2.919 7.927 0.219 1.00 73.34 O ATOM 163 CB CYS A 11 0.215 8.602 -0.233 1.00 70.25 C ATOM 164 SG CYS A 11 1.528 9.843 -0.296 1.00 3.22 S ATOM 0 H CYS A 11 -2.023 10.199 0.580 1.00 73.23 H new ATOM 0 HA CYS A 11 -0.934 9.197 -1.959 1.00 51.43 H new ATOM 0 HB2 CYS A 11 0.018 8.352 0.810 1.00 70.25 H new ATOM 0 HB3 CYS A 11 0.569 7.692 -0.717 1.00 70.25 H new ATOM 0 HG CYS A 11 1.028 11.017 -0.044 1.00 3.22 H new ATOM 170 N SER A 12 -2.156 7.018 -1.688 1.00 23.24 N ATOM 171 CA SER A 12 -3.023 5.865 -1.640 1.00 43.30 C ATOM 172 C SER A 12 -2.234 4.672 -1.098 1.00 74.14 C ATOM 173 O SER A 12 -1.038 4.535 -1.378 1.00 74.45 O ATOM 174 CB SER A 12 -3.567 5.560 -3.036 1.00 1.41 C ATOM 175 OG SER A 12 -4.249 6.685 -3.576 1.00 70.12 O ATOM 0 H SER A 12 -1.565 7.058 -2.518 1.00 23.24 H new ATOM 0 HA SER A 12 -3.869 6.066 -0.982 1.00 43.30 H new ATOM 0 HB2 SER A 12 -2.747 5.277 -3.696 1.00 1.41 H new ATOM 0 HB3 SER A 12 -4.245 4.708 -2.987 1.00 1.41 H new ATOM 0 HG SER A 12 -4.586 6.465 -4.470 1.00 70.12 H new ATOM 181 N HIS A 13 -2.888 3.818 -0.322 1.00 61.23 N ATOM 182 CA HIS A 13 -2.200 2.697 0.302 1.00 44.43 C ATOM 183 C HIS A 13 -2.865 1.357 -0.006 1.00 33.03 C ATOM 184 O HIS A 13 -4.088 1.263 -0.130 1.00 22.33 O ATOM 185 CB HIS A 13 -2.116 2.893 1.830 1.00 74.54 C ATOM 186 CG HIS A 13 -3.395 2.593 2.580 1.00 54.20 C ATOM 187 ND1 HIS A 13 -4.609 3.190 2.551 1.00 73.33 N flip ATOM 188 CD2 HIS A 13 -3.502 1.576 3.499 1.00 62.12 C flip ATOM 189 CE1 HIS A 13 -5.415 2.529 3.445 1.00 21.34 C flip ATOM 190 NE2 HIS A 13 -4.717 1.559 3.997 1.00 30.53 N flip ATOM 0 H HIS A 13 -3.884 3.879 -0.111 1.00 61.23 H new ATOM 0 HA HIS A 13 -1.196 2.674 -0.122 1.00 44.43 H new ATOM 0 HB2 HIS A 13 -1.324 2.254 2.221 1.00 74.54 H new ATOM 0 HB3 HIS A 13 -1.825 3.923 2.034 1.00 74.54 H new ATOM 0 HD1 HIS A 13 -4.876 3.985 1.971 1.00 73.33 H new ATOM 0 HD2 HIS A 13 -2.708 0.895 3.770 1.00 62.12 H new ATOM 0 HE1 HIS A 13 -6.447 2.765 3.659 1.00 21.34 H new ATOM 199 N LEU A 14 -2.041 0.338 -0.111 1.00 0.23 N ATOM 200 CA LEU A 14 -2.485 -1.032 -0.303 1.00 2.25 C ATOM 201 C LEU A 14 -1.629 -1.914 0.598 1.00 25.44 C ATOM 202 O LEU A 14 -0.452 -1.613 0.819 1.00 23.52 O ATOM 203 CB LEU A 14 -2.339 -1.430 -1.794 1.00 43.45 C ATOM 204 CG LEU A 14 -2.984 -2.761 -2.232 1.00 65.45 C ATOM 205 CD1 LEU A 14 -3.251 -2.744 -3.728 1.00 1.12 C ATOM 206 CD2 LEU A 14 -2.089 -3.946 -1.889 1.00 4.42 C ATOM 0 H LEU A 14 -1.027 0.436 -0.065 1.00 0.23 H new ATOM 0 HA LEU A 14 -3.537 -1.150 -0.042 1.00 2.25 H new ATOM 0 HB2 LEU A 14 -2.766 -0.631 -2.401 1.00 43.45 H new ATOM 0 HB3 LEU A 14 -1.276 -1.476 -2.029 1.00 43.45 H new ATOM 0 HG LEU A 14 -3.925 -2.870 -1.693 1.00 65.45 H new ATOM 0 HD11 LEU A 14 -3.706 -3.688 -4.027 1.00 1.12 H new ATOM 0 HD12 LEU A 14 -3.927 -1.923 -3.968 1.00 1.12 H new ATOM 0 HD13 LEU A 14 -2.311 -2.609 -4.264 1.00 1.12 H new ATOM 0 HD21 LEU A 14 -2.570 -4.870 -2.210 1.00 4.42 H new ATOM 0 HD22 LEU A 14 -1.132 -3.839 -2.400 1.00 4.42 H new ATOM 0 HD23 LEU A 14 -1.924 -3.978 -0.812 1.00 4.42 H new ATOM 218 N LEU A 15 -2.212 -2.965 1.145 1.00 2.15 N ATOM 219 CA LEU A 15 -1.490 -3.839 2.060 1.00 0.42 C ATOM 220 C LEU A 15 -1.867 -5.290 1.849 1.00 41.11 C ATOM 221 O LEU A 15 -3.033 -5.629 1.820 1.00 51.45 O ATOM 222 CB LEU A 15 -1.779 -3.438 3.513 1.00 50.31 C ATOM 223 CG LEU A 15 -1.269 -4.401 4.597 1.00 31.43 C ATOM 224 CD1 LEU A 15 0.241 -4.510 4.555 1.00 41.24 C ATOM 225 CD2 LEU A 15 -1.733 -3.955 5.975 1.00 24.42 C ATOM 0 H LEU A 15 -3.180 -3.236 0.974 1.00 2.15 H new ATOM 0 HA LEU A 15 -0.425 -3.728 1.855 1.00 0.42 H new ATOM 0 HB2 LEU A 15 -1.339 -2.457 3.692 1.00 50.31 H new ATOM 0 HB3 LEU A 15 -2.857 -3.330 3.631 1.00 50.31 H new ATOM 0 HG LEU A 15 -1.688 -5.387 4.396 1.00 31.43 H new ATOM 0 HD11 LEU A 15 0.578 -5.197 5.331 1.00 41.24 H new ATOM 0 HD12 LEU A 15 0.552 -4.884 3.580 1.00 41.24 H new ATOM 0 HD13 LEU A 15 0.682 -3.527 4.724 1.00 41.24 H new ATOM 0 HD21 LEU A 15 -1.361 -4.651 6.727 1.00 24.42 H new ATOM 0 HD22 LEU A 15 -1.349 -2.956 6.183 1.00 24.42 H new ATOM 0 HD23 LEU A 15 -2.822 -3.938 6.004 1.00 24.42 H new ATOM 237 N VAL A 16 -0.878 -6.137 1.698 1.00 34.44 N ATOM 238 CA VAL A 16 -1.121 -7.555 1.566 1.00 4.44 C ATOM 239 C VAL A 16 -0.585 -8.294 2.787 1.00 55.10 C ATOM 240 O VAL A 16 0.609 -8.208 3.108 1.00 70.52 O ATOM 241 CB VAL A 16 -0.500 -8.136 0.272 1.00 53.13 C ATOM 242 CG1 VAL A 16 -0.685 -9.645 0.213 1.00 61.14 C ATOM 243 CG2 VAL A 16 -1.127 -7.486 -0.951 1.00 41.11 C ATOM 0 H VAL A 16 0.106 -5.869 1.663 1.00 34.44 H new ATOM 0 HA VAL A 16 -2.200 -7.697 1.500 1.00 4.44 H new ATOM 0 HB VAL A 16 0.568 -7.920 0.281 1.00 53.13 H new ATOM 0 HG11 VAL A 16 -0.241 -10.030 -0.705 1.00 61.14 H new ATOM 0 HG12 VAL A 16 -0.198 -10.105 1.073 1.00 61.14 H new ATOM 0 HG13 VAL A 16 -1.749 -9.882 0.229 1.00 61.14 H new ATOM 0 HG21 VAL A 16 -0.681 -7.904 -1.854 1.00 41.11 H new ATOM 0 HG22 VAL A 16 -2.200 -7.677 -0.954 1.00 41.11 H new ATOM 0 HG23 VAL A 16 -0.950 -6.411 -0.923 1.00 41.11 H new ATOM 253 N LYS A 17 -1.479 -8.986 3.483 1.00 15.52 N ATOM 254 CA LYS A 17 -1.122 -9.745 4.674 1.00 21.31 C ATOM 255 C LYS A 17 -0.262 -10.958 4.332 1.00 74.32 C ATOM 256 O LYS A 17 -0.230 -11.415 3.187 1.00 74.11 O ATOM 257 CB LYS A 17 -2.382 -10.199 5.422 1.00 20.25 C ATOM 258 CG LYS A 17 -2.927 -9.189 6.424 1.00 34.14 C ATOM 259 CD LYS A 17 -1.984 -9.027 7.610 1.00 13.44 C ATOM 260 CE LYS A 17 -2.615 -8.215 8.735 1.00 61.22 C ATOM 261 NZ LYS A 17 -2.940 -6.833 8.320 1.00 73.31 N ATOM 0 H LYS A 17 -2.468 -9.037 3.238 1.00 15.52 H new ATOM 0 HA LYS A 17 -0.539 -9.085 5.316 1.00 21.31 H new ATOM 0 HB2 LYS A 17 -3.160 -10.422 4.692 1.00 20.25 H new ATOM 0 HB3 LYS A 17 -2.161 -11.128 5.947 1.00 20.25 H new ATOM 0 HG2 LYS A 17 -3.068 -8.226 5.934 1.00 34.14 H new ATOM 0 HG3 LYS A 17 -3.906 -9.514 6.776 1.00 34.14 H new ATOM 0 HD2 LYS A 17 -1.703 -10.011 7.987 1.00 13.44 H new ATOM 0 HD3 LYS A 17 -1.067 -8.538 7.280 1.00 13.44 H new ATOM 0 HE2 LYS A 17 -3.524 -8.713 9.073 1.00 61.22 H new ATOM 0 HE3 LYS A 17 -1.933 -8.185 9.585 1.00 61.22 H new ATOM 0 HZ1 LYS A 17 -3.223 -6.278 9.153 1.00 73.31 H new ATOM 0 HZ2 LYS A 17 -2.104 -6.397 7.881 1.00 73.31 H new ATOM 0 HZ3 LYS A 17 -3.722 -6.851 7.634 1.00 73.31 H new ATOM 275 N HIS A 18 0.419 -11.474 5.338 1.00 42.04 N ATOM 276 CA HIS A 18 1.265 -12.645 5.187 1.00 45.31 C ATOM 277 C HIS A 18 0.938 -13.658 6.273 1.00 75.43 C ATOM 278 O HIS A 18 0.517 -13.279 7.365 1.00 4.51 O ATOM 279 CB HIS A 18 2.774 -12.273 5.181 1.00 64.43 C ATOM 280 CG HIS A 18 3.257 -11.471 6.371 1.00 31.44 C ATOM 281 ND1 HIS A 18 4.378 -11.805 7.101 1.00 73.04 N ATOM 282 CD2 HIS A 18 2.796 -10.319 6.916 1.00 5.03 C ATOM 283 CE1 HIS A 18 4.581 -10.897 8.037 1.00 0.12 C ATOM 284 NE2 HIS A 18 3.636 -9.986 7.946 1.00 5.44 N ATOM 0 H HIS A 18 0.402 -11.093 6.284 1.00 42.04 H new ATOM 0 HA HIS A 18 1.058 -13.097 4.217 1.00 45.31 H new ATOM 0 HB2 HIS A 18 3.356 -13.193 5.126 1.00 64.43 H new ATOM 0 HB3 HIS A 18 2.986 -11.707 4.274 1.00 64.43 H new ATOM 0 HD2 HIS A 18 1.926 -9.765 6.597 1.00 5.03 H new ATOM 0 HE1 HIS A 18 5.387 -10.901 8.756 1.00 0.12 H new ATOM 0 HE2 HIS A 18 3.544 -9.165 8.545 1.00 5.44 H new ATOM 293 N SER A 19 1.108 -14.935 5.952 1.00 30.42 N ATOM 294 CA SER A 19 0.763 -16.033 6.852 1.00 13.15 C ATOM 295 C SER A 19 1.416 -15.882 8.233 1.00 32.34 C ATOM 296 O SER A 19 0.726 -15.901 9.257 1.00 13.20 O ATOM 297 CB SER A 19 1.148 -17.376 6.219 1.00 64.10 C ATOM 298 OG SER A 19 0.504 -18.454 6.877 1.00 61.31 O ATOM 0 H SER A 19 1.490 -15.241 5.057 1.00 30.42 H new ATOM 0 HA SER A 19 -0.316 -16.003 7.005 1.00 13.15 H new ATOM 0 HB2 SER A 19 0.876 -17.375 5.164 1.00 64.10 H new ATOM 0 HB3 SER A 19 2.229 -17.509 6.269 1.00 64.10 H new ATOM 0 HG SER A 19 0.765 -19.298 6.453 1.00 61.31 H new ATOM 304 N GLN A 20 2.731 -15.732 8.267 1.00 21.53 N ATOM 305 CA GLN A 20 3.433 -15.564 9.530 1.00 30.11 C ATOM 306 C GLN A 20 3.385 -14.107 9.963 1.00 15.34 C ATOM 307 O GLN A 20 4.315 -13.347 9.721 1.00 72.42 O ATOM 308 CB GLN A 20 4.890 -16.033 9.426 1.00 10.51 C ATOM 309 CG GLN A 20 5.052 -17.506 9.076 1.00 25.30 C ATOM 310 CD GLN A 20 4.495 -18.448 10.135 1.00 33.31 C ATOM 311 OE1 GLN A 20 4.536 -18.037 11.391 1.00 1.41 O flip ATOM 312 NE2 GLN A 20 4.046 -19.547 9.821 1.00 52.10 N flip ATOM 0 H GLN A 20 3.330 -15.723 7.441 1.00 21.53 H new ATOM 0 HA GLN A 20 2.933 -16.180 10.277 1.00 30.11 H new ATOM 0 HB2 GLN A 20 5.399 -15.434 8.671 1.00 10.51 H new ATOM 0 HB3 GLN A 20 5.390 -15.840 10.375 1.00 10.51 H new ATOM 0 HG2 GLN A 20 4.552 -17.703 8.127 1.00 25.30 H new ATOM 0 HG3 GLN A 20 6.110 -17.722 8.930 1.00 25.30 H new ATOM 0 HE21 GLN A 20 4.030 -19.831 8.841 1.00 52.10 H new ATOM 0 HE22 GLN A 20 3.689 -20.176 10.540 1.00 52.10 H new ATOM 321 N SER A 21 2.283 -13.718 10.572 1.00 44.12 N ATOM 322 CA SER A 21 2.094 -12.356 11.011 1.00 50.13 C ATOM 323 C SER A 21 1.325 -12.348 12.332 1.00 3.22 C ATOM 324 O SER A 21 1.117 -13.403 12.938 1.00 22.15 O ATOM 325 CB SER A 21 1.331 -11.572 9.938 1.00 42.12 C ATOM 326 OG SER A 21 1.462 -10.171 10.122 1.00 13.05 O ATOM 0 H SER A 21 1.498 -14.337 10.775 1.00 44.12 H new ATOM 0 HA SER A 21 3.063 -11.881 11.167 1.00 50.13 H new ATOM 0 HB2 SER A 21 1.705 -11.846 8.951 1.00 42.12 H new ATOM 0 HB3 SER A 21 0.276 -11.846 9.967 1.00 42.12 H new ATOM 0 HG SER A 21 2.165 -9.828 9.532 1.00 13.05 H new ATOM 332 N ARG A 22 0.905 -11.168 12.777 1.00 1.44 N ATOM 333 CA ARG A 22 0.159 -11.056 14.021 1.00 41.14 C ATOM 334 C ARG A 22 -1.250 -11.589 13.818 1.00 35.25 C ATOM 335 O ARG A 22 -1.785 -12.319 14.660 1.00 3.20 O ATOM 336 CB ARG A 22 0.093 -9.599 14.497 1.00 25.43 C ATOM 337 CG ARG A 22 1.434 -8.881 14.529 1.00 3.51 C ATOM 338 CD ARG A 22 2.414 -9.556 15.470 1.00 10.32 C ATOM 339 NE ARG A 22 3.660 -8.798 15.587 1.00 51.44 N ATOM 340 CZ ARG A 22 4.702 -9.169 16.335 1.00 15.11 C ATOM 341 NH1 ARG A 22 4.651 -10.287 17.054 1.00 71.31 N ATOM 342 NH2 ARG A 22 5.793 -8.418 16.371 1.00 13.22 N ATOM 0 H ARG A 22 1.068 -10.283 12.297 1.00 1.44 H new ATOM 0 HA ARG A 22 0.673 -11.642 14.783 1.00 41.14 H new ATOM 0 HB2 ARG A 22 -0.584 -9.048 13.844 1.00 25.43 H new ATOM 0 HB3 ARG A 22 -0.340 -9.577 15.497 1.00 25.43 H new ATOM 0 HG2 ARG A 22 1.855 -8.854 13.524 1.00 3.51 H new ATOM 0 HG3 ARG A 22 1.285 -7.847 14.840 1.00 3.51 H new ATOM 0 HD2 ARG A 22 1.959 -9.662 16.455 1.00 10.32 H new ATOM 0 HD3 ARG A 22 2.632 -10.561 15.109 1.00 10.32 H new ATOM 0 HE ARG A 22 3.738 -7.927 15.062 1.00 51.44 H new ATOM 0 HH11 ARG A 22 3.812 -10.867 17.036 1.00 71.31 H new ATOM 0 HH12 ARG A 22 5.451 -10.564 17.623 1.00 71.31 H new ATOM 0 HH21 ARG A 22 5.837 -7.556 15.827 1.00 13.22 H new ATOM 0 HH22 ARG A 22 6.589 -8.702 16.943 1.00 13.22 H new ATOM 356 N ARG A 23 -1.838 -11.226 12.693 1.00 61.30 N ATOM 357 CA ARG A 23 -3.180 -11.648 12.349 1.00 71.41 C ATOM 358 C ARG A 23 -3.268 -11.951 10.849 1.00 61.45 C ATOM 359 O ARG A 23 -3.377 -11.038 10.027 1.00 51.04 O ATOM 360 CB ARG A 23 -4.182 -10.560 12.735 1.00 3.44 C ATOM 361 CG ARG A 23 -5.624 -10.909 12.444 1.00 52.22 C ATOM 362 CD ARG A 23 -6.539 -9.737 12.745 1.00 5.11 C ATOM 363 NE ARG A 23 -7.923 -10.014 12.371 1.00 24.51 N ATOM 364 CZ ARG A 23 -8.748 -9.116 11.825 1.00 5.11 C ATOM 365 NH1 ARG A 23 -8.348 -7.857 11.647 1.00 10.54 N ATOM 366 NH2 ARG A 23 -9.975 -9.474 11.477 1.00 3.44 N ATOM 0 H ARG A 23 -1.397 -10.630 11.993 1.00 61.30 H new ATOM 0 HA ARG A 23 -3.421 -12.557 12.900 1.00 71.41 H new ATOM 0 HB2 ARG A 23 -4.079 -10.349 13.800 1.00 3.44 H new ATOM 0 HB3 ARG A 23 -3.928 -9.643 12.203 1.00 3.44 H new ATOM 0 HG2 ARG A 23 -5.728 -11.197 11.398 1.00 52.22 H new ATOM 0 HG3 ARG A 23 -5.921 -11.770 13.043 1.00 52.22 H new ATOM 0 HD2 ARG A 23 -6.491 -9.503 13.808 1.00 5.11 H new ATOM 0 HD3 ARG A 23 -6.188 -8.856 12.208 1.00 5.11 H new ATOM 0 HE ARG A 23 -8.283 -10.954 12.537 1.00 24.51 H new ATOM 0 HH11 ARG A 23 -7.409 -7.576 11.928 1.00 10.54 H new ATOM 0 HH12 ARG A 23 -8.981 -7.175 11.230 1.00 10.54 H new ATOM 0 HH21 ARG A 23 -10.288 -10.433 11.626 1.00 3.44 H new ATOM 0 HH22 ARG A 23 -10.607 -8.790 11.060 1.00 3.44 H new ATOM 380 N PRO A 24 -3.205 -13.235 10.477 1.00 13.00 N ATOM 381 CA PRO A 24 -3.248 -13.658 9.078 1.00 22.03 C ATOM 382 C PRO A 24 -4.678 -13.738 8.524 1.00 52.04 C ATOM 383 O PRO A 24 -5.130 -14.803 8.080 1.00 35.11 O ATOM 384 CB PRO A 24 -2.610 -15.046 9.126 1.00 33.03 C ATOM 385 CG PRO A 24 -2.954 -15.577 10.477 1.00 23.40 C ATOM 386 CD PRO A 24 -3.077 -14.384 11.397 1.00 12.33 C ATOM 0 HA PRO A 24 -2.740 -12.954 8.419 1.00 22.03 H new ATOM 0 HB2 PRO A 24 -3.001 -15.689 8.337 1.00 33.03 H new ATOM 0 HB3 PRO A 24 -1.530 -14.990 8.986 1.00 33.03 H new ATOM 0 HG2 PRO A 24 -3.888 -16.139 10.445 1.00 23.40 H new ATOM 0 HG3 PRO A 24 -2.183 -16.261 10.832 1.00 23.40 H new ATOM 0 HD2 PRO A 24 -3.945 -14.471 12.050 1.00 12.33 H new ATOM 0 HD3 PRO A 24 -2.203 -14.285 12.041 1.00 12.33 H new ATOM 394 N SER A 25 -5.377 -12.618 8.541 1.00 54.33 N ATOM 395 CA SER A 25 -6.733 -12.551 8.017 1.00 51.32 C ATOM 396 C SER A 25 -7.049 -11.148 7.509 1.00 24.11 C ATOM 397 O SER A 25 -6.793 -10.159 8.199 1.00 41.22 O ATOM 398 CB SER A 25 -7.741 -12.975 9.089 1.00 12.13 C ATOM 399 OG SER A 25 -7.490 -12.309 10.318 1.00 75.23 O ATOM 0 H SER A 25 -5.027 -11.736 8.914 1.00 54.33 H new ATOM 0 HA SER A 25 -6.810 -13.241 7.177 1.00 51.32 H new ATOM 0 HB2 SER A 25 -8.753 -12.751 8.750 1.00 12.13 H new ATOM 0 HB3 SER A 25 -7.686 -14.053 9.238 1.00 12.13 H new ATOM 0 HG SER A 25 -8.148 -12.595 10.986 1.00 75.23 H new ATOM 405 N SER A 26 -7.591 -11.068 6.307 1.00 22.24 N ATOM 406 CA SER A 26 -7.946 -9.798 5.706 1.00 2.42 C ATOM 407 C SER A 26 -9.464 -9.682 5.593 1.00 75.00 C ATOM 408 O SER A 26 -10.201 -10.539 6.095 1.00 13.12 O ATOM 409 CB SER A 26 -7.304 -9.681 4.319 1.00 25.03 C ATOM 410 OG SER A 26 -7.793 -10.693 3.436 1.00 25.50 O ATOM 0 H SER A 26 -7.796 -11.879 5.723 1.00 22.24 H new ATOM 0 HA SER A 26 -7.577 -8.989 6.336 1.00 2.42 H new ATOM 0 HB2 SER A 26 -7.514 -8.697 3.900 1.00 25.03 H new ATOM 0 HB3 SER A 26 -6.221 -9.765 4.408 1.00 25.03 H new ATOM 0 HG SER A 26 -7.368 -10.594 2.558 1.00 25.50 H new ATOM 415 N TRP A 27 -9.939 -8.631 4.941 1.00 3.43 N ATOM 416 CA TRP A 27 -11.369 -8.446 4.760 1.00 30.10 C ATOM 417 C TRP A 27 -11.851 -9.241 3.542 1.00 21.21 C ATOM 418 O TRP A 27 -13.046 -9.286 3.241 1.00 33.13 O ATOM 419 CB TRP A 27 -11.720 -6.948 4.614 1.00 4.32 C ATOM 420 CG TRP A 27 -11.658 -6.418 3.205 1.00 74.21 C ATOM 421 CD1 TRP A 27 -10.554 -6.296 2.409 1.00 22.50 C ATOM 422 CD2 TRP A 27 -12.760 -5.927 2.438 1.00 5.51 C ATOM 423 NE1 TRP A 27 -10.913 -5.777 1.191 1.00 41.45 N ATOM 424 CE2 TRP A 27 -12.260 -5.542 1.185 1.00 32.34 C ATOM 425 CE3 TRP A 27 -14.124 -5.784 2.690 1.00 50.20 C ATOM 426 CZ2 TRP A 27 -13.076 -5.023 0.185 1.00 62.12 C ATOM 427 CZ3 TRP A 27 -14.931 -5.268 1.697 1.00 3.21 C ATOM 428 CH2 TRP A 27 -14.405 -4.894 0.459 1.00 32.54 C ATOM 0 H TRP A 27 -9.359 -7.899 4.532 1.00 3.43 H new ATOM 0 HA TRP A 27 -11.882 -8.820 5.646 1.00 30.10 H new ATOM 0 HB2 TRP A 27 -12.725 -6.785 5.004 1.00 4.32 H new ATOM 0 HB3 TRP A 27 -11.038 -6.367 5.236 1.00 4.32 H new ATOM 0 HD1 TRP A 27 -9.549 -6.568 2.696 1.00 22.50 H new ATOM 0 HE1 TRP A 27 -10.277 -5.596 0.414 1.00 41.45 H new ATOM 0 HE3 TRP A 27 -14.541 -6.072 3.644 1.00 50.20 H new ATOM 0 HZ2 TRP A 27 -12.671 -4.733 -0.773 1.00 62.12 H new ATOM 0 HZ3 TRP A 27 -15.989 -5.151 1.881 1.00 3.21 H new ATOM 0 HH2 TRP A 27 -15.065 -4.494 -0.297 1.00 32.54 H new ATOM 439 N ARG A 28 -10.909 -9.868 2.845 1.00 72.33 N ATOM 440 CA ARG A 28 -11.229 -10.673 1.677 1.00 44.15 C ATOM 441 C ARG A 28 -10.999 -12.148 1.954 1.00 21.11 C ATOM 442 O ARG A 28 -11.767 -12.996 1.509 1.00 74.43 O ATOM 443 CB ARG A 28 -10.400 -10.239 0.464 1.00 25.04 C ATOM 444 CG ARG A 28 -10.722 -8.843 -0.061 1.00 24.31 C ATOM 445 CD ARG A 28 -12.135 -8.750 -0.637 1.00 63.43 C ATOM 446 NE ARG A 28 -13.175 -8.758 0.401 1.00 43.34 N ATOM 447 CZ ARG A 28 -14.479 -8.593 0.163 1.00 13.40 C ATOM 448 NH1 ARG A 28 -14.915 -8.399 -1.076 1.00 12.51 N ATOM 449 NH2 ARG A 28 -15.343 -8.608 1.167 1.00 62.42 N ATOM 0 H ARG A 28 -9.915 -9.832 3.072 1.00 72.33 H new ATOM 0 HA ARG A 28 -12.284 -10.517 1.453 1.00 44.15 H new ATOM 0 HB2 ARG A 28 -9.344 -10.278 0.730 1.00 25.04 H new ATOM 0 HB3 ARG A 28 -10.553 -10.959 -0.340 1.00 25.04 H new ATOM 0 HG2 ARG A 28 -10.613 -8.120 0.747 1.00 24.31 H new ATOM 0 HG3 ARG A 28 -10.000 -8.572 -0.831 1.00 24.31 H new ATOM 0 HD2 ARG A 28 -12.223 -7.837 -1.226 1.00 63.43 H new ATOM 0 HD3 ARG A 28 -12.301 -9.585 -1.317 1.00 63.43 H new ATOM 0 HE ARG A 28 -12.882 -8.899 1.368 1.00 43.34 H new ATOM 0 HH11 ARG A 28 -14.253 -8.375 -1.852 1.00 12.51 H new ATOM 0 HH12 ARG A 28 -15.912 -8.274 -1.252 1.00 12.51 H new ATOM 0 HH21 ARG A 28 -15.013 -8.746 2.122 1.00 62.42 H new ATOM 0 HH22 ARG A 28 -16.339 -8.482 0.985 1.00 62.42 H new ATOM 463 N GLN A 29 -9.945 -12.456 2.687 1.00 34.11 N ATOM 464 CA GLN A 29 -9.625 -13.835 2.990 1.00 31.12 C ATOM 465 C GLN A 29 -9.440 -14.030 4.495 1.00 63.23 C ATOM 466 O GLN A 29 -8.618 -13.359 5.122 1.00 3.32 O ATOM 467 CB GLN A 29 -8.360 -14.255 2.228 1.00 23.33 C ATOM 468 CG GLN A 29 -8.047 -15.746 2.284 1.00 2.11 C ATOM 469 CD GLN A 29 -9.088 -16.608 1.580 1.00 2.33 C ATOM 470 OE1 GLN A 29 -10.270 -16.266 1.521 1.00 25.34 O ATOM 471 NE2 GLN A 29 -8.654 -17.730 1.039 1.00 33.12 N ATOM 0 H GLN A 29 -9.299 -11.772 3.081 1.00 34.11 H new ATOM 0 HA GLN A 29 -10.454 -14.467 2.671 1.00 31.12 H new ATOM 0 HB2 GLN A 29 -8.466 -13.959 1.184 1.00 23.33 H new ATOM 0 HB3 GLN A 29 -7.510 -13.704 2.631 1.00 23.33 H new ATOM 0 HG2 GLN A 29 -7.072 -15.923 1.830 1.00 2.11 H new ATOM 0 HG3 GLN A 29 -7.974 -16.056 3.326 1.00 2.11 H new ATOM 0 HE21 GLN A 29 -7.668 -17.981 1.108 1.00 33.12 H new ATOM 0 HE22 GLN A 29 -9.305 -18.346 0.552 1.00 33.12 H new ATOM 480 N GLU A 30 -10.210 -14.948 5.071 1.00 61.14 N ATOM 481 CA GLU A 30 -10.137 -15.230 6.506 1.00 31.32 C ATOM 482 C GLU A 30 -8.897 -16.053 6.838 1.00 33.53 C ATOM 483 O GLU A 30 -8.474 -16.127 7.996 1.00 34.32 O ATOM 484 CB GLU A 30 -11.392 -15.972 6.978 1.00 20.12 C ATOM 485 CG GLU A 30 -12.663 -15.142 6.932 1.00 41.10 C ATOM 486 CD GLU A 30 -12.654 -14.023 7.948 1.00 11.12 C ATOM 487 OE1 GLU A 30 -12.854 -14.306 9.147 1.00 44.34 O ATOM 488 OE2 GLU A 30 -12.437 -12.858 7.559 1.00 40.24 O ATOM 0 H GLU A 30 -10.894 -15.512 4.567 1.00 61.14 H new ATOM 0 HA GLU A 30 -10.073 -14.275 7.028 1.00 31.32 H new ATOM 0 HB2 GLU A 30 -11.529 -16.860 6.360 1.00 20.12 H new ATOM 0 HB3 GLU A 30 -11.234 -16.316 8.000 1.00 20.12 H new ATOM 0 HG2 GLU A 30 -12.784 -14.722 5.933 1.00 41.10 H new ATOM 0 HG3 GLU A 30 -13.523 -15.787 7.113 1.00 41.10 H new ATOM 495 N LYS A 31 -8.322 -16.670 5.822 1.00 41.30 N ATOM 496 CA LYS A 31 -7.139 -17.484 6.001 1.00 4.12 C ATOM 497 C LYS A 31 -6.021 -17.058 5.051 1.00 70.22 C ATOM 498 O LYS A 31 -5.983 -17.462 3.888 1.00 14.01 O ATOM 499 CB LYS A 31 -7.470 -18.976 5.812 1.00 61.02 C ATOM 500 CG LYS A 31 -8.165 -19.301 4.491 1.00 10.32 C ATOM 501 CD LYS A 31 -8.390 -20.795 4.319 1.00 1.34 C ATOM 502 CE LYS A 31 -7.076 -21.557 4.229 1.00 51.15 C ATOM 503 NZ LYS A 31 -7.295 -23.000 3.986 1.00 12.34 N ATOM 0 H LYS A 31 -8.659 -16.621 4.861 1.00 41.30 H new ATOM 0 HA LYS A 31 -6.786 -17.334 7.021 1.00 4.12 H new ATOM 0 HB2 LYS A 31 -6.547 -19.552 5.875 1.00 61.02 H new ATOM 0 HB3 LYS A 31 -8.107 -19.302 6.634 1.00 61.02 H new ATOM 0 HG2 LYS A 31 -9.123 -18.783 4.448 1.00 10.32 H new ATOM 0 HG3 LYS A 31 -7.563 -18.927 3.663 1.00 10.32 H new ATOM 0 HD2 LYS A 31 -8.973 -21.174 5.158 1.00 1.34 H new ATOM 0 HD3 LYS A 31 -8.976 -20.973 3.417 1.00 1.34 H new ATOM 0 HE2 LYS A 31 -6.468 -21.141 3.425 1.00 51.15 H new ATOM 0 HE3 LYS A 31 -6.515 -21.425 5.154 1.00 51.15 H new ATOM 0 HZ1 LYS A 31 -6.377 -23.486 3.931 1.00 12.34 H new ATOM 0 HZ2 LYS A 31 -7.853 -23.402 4.766 1.00 12.34 H new ATOM 0 HZ3 LYS A 31 -7.809 -23.127 3.091 1.00 12.34 H new ATOM 517 N ILE A 32 -5.132 -16.219 5.532 1.00 32.52 N ATOM 518 CA ILE A 32 -4.005 -15.793 4.734 1.00 30.10 C ATOM 519 C ILE A 32 -2.924 -16.865 4.779 1.00 25.33 C ATOM 520 O ILE A 32 -2.180 -16.983 5.759 1.00 1.13 O ATOM 521 CB ILE A 32 -3.435 -14.434 5.215 1.00 43.03 C ATOM 522 CG1 ILE A 32 -4.502 -13.333 5.100 1.00 61.42 C ATOM 523 CG2 ILE A 32 -2.197 -14.055 4.417 1.00 11.24 C ATOM 524 CD1 ILE A 32 -4.996 -13.091 3.687 1.00 11.24 C ATOM 0 H ILE A 32 -5.167 -15.819 6.470 1.00 32.52 H new ATOM 0 HA ILE A 32 -4.347 -15.653 3.709 1.00 30.10 H new ATOM 0 HB ILE A 32 -3.150 -14.536 6.262 1.00 43.03 H new ATOM 0 HG12 ILE A 32 -5.351 -13.599 5.729 1.00 61.42 H new ATOM 0 HG13 ILE A 32 -4.092 -12.403 5.494 1.00 61.42 H new ATOM 0 HG21 ILE A 32 -1.814 -13.098 4.772 1.00 11.24 H new ATOM 0 HG22 ILE A 32 -1.433 -14.822 4.545 1.00 11.24 H new ATOM 0 HG23 ILE A 32 -2.456 -13.973 3.361 1.00 11.24 H new ATOM 0 HD11 ILE A 32 -5.746 -12.300 3.694 1.00 11.24 H new ATOM 0 HD12 ILE A 32 -4.159 -12.792 3.055 1.00 11.24 H new ATOM 0 HD13 ILE A 32 -5.438 -14.007 3.294 1.00 11.24 H new ATOM 536 N THR A 33 -2.880 -17.672 3.743 1.00 22.43 N ATOM 537 CA THR A 33 -1.928 -18.756 3.660 1.00 43.14 C ATOM 538 C THR A 33 -0.683 -18.312 2.892 1.00 21.44 C ATOM 539 O THR A 33 0.385 -18.923 3.003 1.00 2.24 O ATOM 540 CB THR A 33 -2.566 -19.981 2.969 1.00 21.54 C ATOM 541 OG1 THR A 33 -3.901 -20.171 3.471 1.00 41.43 O ATOM 542 CG2 THR A 33 -1.751 -21.240 3.233 1.00 11.52 C ATOM 0 H THR A 33 -3.501 -17.596 2.937 1.00 22.43 H new ATOM 0 HA THR A 33 -1.636 -19.037 4.672 1.00 43.14 H new ATOM 0 HB THR A 33 -2.589 -19.798 1.895 1.00 21.54 H new ATOM 0 HG1 THR A 33 -4.308 -20.947 3.032 1.00 41.43 H new ATOM 0 HG21 THR A 33 -2.221 -22.089 2.736 1.00 11.52 H new ATOM 0 HG22 THR A 33 -0.741 -21.107 2.846 1.00 11.52 H new ATOM 0 HG23 THR A 33 -1.707 -21.427 4.306 1.00 11.52 H new ATOM 550 N ARG A 34 -0.829 -17.239 2.121 1.00 54.22 N ATOM 551 CA ARG A 34 0.273 -16.697 1.339 1.00 72.13 C ATOM 552 C ARG A 34 1.381 -16.191 2.264 1.00 33.03 C ATOM 553 O ARG A 34 1.116 -15.523 3.267 1.00 2.30 O ATOM 554 CB ARG A 34 -0.219 -15.559 0.429 1.00 12.54 C ATOM 555 CG ARG A 34 -0.674 -14.321 1.188 1.00 11.34 C ATOM 556 CD ARG A 34 -1.223 -13.252 0.265 1.00 74.41 C ATOM 557 NE ARG A 34 -2.498 -13.644 -0.334 1.00 73.10 N ATOM 558 CZ ARG A 34 -3.633 -12.946 -0.220 1.00 4.33 C ATOM 559 NH1 ARG A 34 -3.664 -11.822 0.496 1.00 32.13 N ATOM 560 NH2 ARG A 34 -4.735 -13.378 -0.809 1.00 54.24 N ATOM 0 H ARG A 34 -1.705 -16.726 2.022 1.00 54.22 H new ATOM 0 HA ARG A 34 0.675 -17.493 0.712 1.00 72.13 H new ATOM 0 HB2 ARG A 34 0.583 -15.281 -0.255 1.00 12.54 H new ATOM 0 HB3 ARG A 34 -1.045 -15.925 -0.180 1.00 12.54 H new ATOM 0 HG2 ARG A 34 -1.439 -14.602 1.912 1.00 11.34 H new ATOM 0 HG3 ARG A 34 0.165 -13.915 1.753 1.00 11.34 H new ATOM 0 HD2 ARG A 34 -1.355 -12.325 0.823 1.00 74.41 H new ATOM 0 HD3 ARG A 34 -0.499 -13.049 -0.524 1.00 74.41 H new ATOM 0 HE ARG A 34 -2.523 -14.508 -0.875 1.00 73.10 H new ATOM 0 HH11 ARG A 34 -2.819 -11.490 0.961 1.00 32.13 H new ATOM 0 HH12 ARG A 34 -4.533 -11.294 0.579 1.00 32.13 H new ATOM 0 HH21 ARG A 34 -4.719 -14.243 -1.350 1.00 54.24 H new ATOM 0 HH22 ARG A 34 -5.601 -12.847 -0.723 1.00 54.24 H new ATOM 574 N THR A 35 2.604 -16.521 1.943 1.00 5.01 N ATOM 575 CA THR A 35 3.727 -16.088 2.740 1.00 31.44 C ATOM 576 C THR A 35 4.384 -14.840 2.112 1.00 32.02 C ATOM 577 O THR A 35 3.873 -14.296 1.130 1.00 3.23 O ATOM 578 CB THR A 35 4.758 -17.234 2.926 1.00 71.41 C ATOM 579 OG1 THR A 35 5.832 -16.817 3.782 1.00 23.15 O ATOM 580 CG2 THR A 35 5.310 -17.694 1.586 1.00 10.12 C ATOM 0 H THR A 35 2.851 -17.090 1.133 1.00 5.01 H new ATOM 0 HA THR A 35 3.359 -15.817 3.730 1.00 31.44 H new ATOM 0 HB THR A 35 4.241 -18.072 3.393 1.00 71.41 H new ATOM 0 HG1 THR A 35 6.470 -17.553 3.888 1.00 23.15 H new ATOM 0 HG21 THR A 35 6.030 -18.497 1.745 1.00 10.12 H new ATOM 0 HG22 THR A 35 4.494 -18.057 0.961 1.00 10.12 H new ATOM 0 HG23 THR A 35 5.803 -16.858 1.089 1.00 10.12 H new ATOM 588 N LYS A 36 5.504 -14.403 2.685 1.00 11.53 N ATOM 589 CA LYS A 36 6.215 -13.200 2.239 1.00 53.33 C ATOM 590 C LYS A 36 6.504 -13.223 0.736 1.00 44.50 C ATOM 591 O LYS A 36 6.096 -12.319 0.008 1.00 51.13 O ATOM 592 CB LYS A 36 7.525 -13.038 3.016 1.00 10.23 C ATOM 593 CG LYS A 36 8.345 -11.827 2.596 1.00 60.22 C ATOM 594 CD LYS A 36 9.698 -11.803 3.285 1.00 41.14 C ATOM 595 CE LYS A 36 10.528 -10.615 2.827 1.00 52.51 C ATOM 596 NZ LYS A 36 11.876 -10.607 3.442 1.00 30.34 N ATOM 0 H LYS A 36 5.948 -14.873 3.474 1.00 11.53 H new ATOM 0 HA LYS A 36 5.563 -12.350 2.438 1.00 53.33 H new ATOM 0 HB2 LYS A 36 7.298 -12.960 4.079 1.00 10.23 H new ATOM 0 HB3 LYS A 36 8.128 -13.936 2.884 1.00 10.23 H new ATOM 0 HG2 LYS A 36 8.486 -11.839 1.515 1.00 60.22 H new ATOM 0 HG3 LYS A 36 7.798 -10.915 2.835 1.00 60.22 H new ATOM 0 HD2 LYS A 36 9.558 -11.757 4.365 1.00 41.14 H new ATOM 0 HD3 LYS A 36 10.234 -12.728 3.072 1.00 41.14 H new ATOM 0 HE2 LYS A 36 10.625 -10.638 1.742 1.00 52.51 H new ATOM 0 HE3 LYS A 36 10.009 -9.691 3.081 1.00 52.51 H new ATOM 0 HZ1 LYS A 36 12.408 -9.780 3.102 1.00 30.34 H new ATOM 0 HZ2 LYS A 36 11.785 -10.559 4.477 1.00 30.34 H new ATOM 0 HZ3 LYS A 36 12.383 -11.476 3.179 1.00 30.34 H new ATOM 610 N GLU A 37 7.203 -14.260 0.283 1.00 32.22 N ATOM 611 CA GLU A 37 7.567 -14.382 -1.127 1.00 14.55 C ATOM 612 C GLU A 37 6.334 -14.416 -2.026 1.00 53.32 C ATOM 613 O GLU A 37 6.328 -13.826 -3.105 1.00 64.33 O ATOM 614 CB GLU A 37 8.424 -15.623 -1.359 1.00 23.32 C ATOM 615 CG GLU A 37 9.782 -15.568 -0.678 1.00 64.52 C ATOM 616 CD GLU A 37 10.637 -16.773 -0.995 1.00 43.21 C ATOM 617 OE1 GLU A 37 11.242 -16.802 -2.091 1.00 42.22 O ATOM 618 OE2 GLU A 37 10.707 -17.704 -0.159 1.00 75.54 O ATOM 0 H GLU A 37 7.529 -15.028 0.870 1.00 32.22 H new ATOM 0 HA GLU A 37 8.149 -13.499 -1.390 1.00 14.55 H new ATOM 0 HB2 GLU A 37 7.883 -16.499 -1.000 1.00 23.32 H new ATOM 0 HB3 GLU A 37 8.571 -15.756 -2.431 1.00 23.32 H new ATOM 0 HG2 GLU A 37 10.305 -14.664 -0.989 1.00 64.52 H new ATOM 0 HG3 GLU A 37 9.642 -15.500 0.401 1.00 64.52 H new ATOM 625 N GLU A 38 5.290 -15.085 -1.564 1.00 33.25 N ATOM 626 CA GLU A 38 4.051 -15.194 -2.326 1.00 15.45 C ATOM 627 C GLU A 38 3.377 -13.838 -2.457 1.00 4.13 C ATOM 628 O GLU A 38 2.957 -13.444 -3.545 1.00 55.34 O ATOM 629 CB GLU A 38 3.107 -16.187 -1.661 1.00 33.13 C ATOM 630 CG GLU A 38 3.666 -17.591 -1.587 1.00 23.00 C ATOM 631 CD GLU A 38 4.016 -18.143 -2.947 1.00 60.21 C ATOM 632 OE1 GLU A 38 3.102 -18.606 -3.653 1.00 13.34 O ATOM 633 OE2 GLU A 38 5.208 -18.110 -3.316 1.00 73.51 O ATOM 0 H GLU A 38 5.274 -15.563 -0.663 1.00 33.25 H new ATOM 0 HA GLU A 38 4.296 -15.554 -3.325 1.00 15.45 H new ATOM 0 HB2 GLU A 38 2.879 -15.841 -0.653 1.00 33.13 H new ATOM 0 HB3 GLU A 38 2.166 -16.207 -2.211 1.00 33.13 H new ATOM 0 HG2 GLU A 38 4.556 -17.592 -0.957 1.00 23.00 H new ATOM 0 HG3 GLU A 38 2.937 -18.245 -1.109 1.00 23.00 H new ATOM 640 N ALA A 39 3.287 -13.127 -1.347 1.00 74.01 N ATOM 641 CA ALA A 39 2.691 -11.808 -1.334 1.00 11.23 C ATOM 642 C ALA A 39 3.499 -10.856 -2.199 1.00 14.33 C ATOM 643 O ALA A 39 2.944 -10.018 -2.902 1.00 31.20 O ATOM 644 CB ALA A 39 2.598 -11.284 0.092 1.00 11.14 C ATOM 0 H ALA A 39 3.622 -13.446 -0.438 1.00 74.01 H new ATOM 0 HA ALA A 39 1.683 -11.876 -1.743 1.00 11.23 H new ATOM 0 HB1 ALA A 39 2.148 -10.291 0.086 1.00 11.14 H new ATOM 0 HB2 ALA A 39 1.983 -11.958 0.688 1.00 11.14 H new ATOM 0 HB3 ALA A 39 3.597 -11.227 0.525 1.00 11.14 H new ATOM 650 N LEU A 40 4.813 -11.014 -2.157 1.00 4.02 N ATOM 651 CA LEU A 40 5.719 -10.179 -2.927 1.00 72.31 C ATOM 652 C LEU A 40 5.499 -10.361 -4.426 1.00 72.01 C ATOM 653 O LEU A 40 5.504 -9.384 -5.186 1.00 25.40 O ATOM 654 CB LEU A 40 7.168 -10.490 -2.559 1.00 74.42 C ATOM 655 CG LEU A 40 8.223 -9.613 -3.221 1.00 32.24 C ATOM 656 CD1 LEU A 40 7.971 -8.146 -2.911 1.00 1.40 C ATOM 657 CD2 LEU A 40 9.608 -10.021 -2.764 1.00 65.14 C ATOM 0 H LEU A 40 5.279 -11.722 -1.590 1.00 4.02 H new ATOM 0 HA LEU A 40 5.509 -9.138 -2.682 1.00 72.31 H new ATOM 0 HB2 LEU A 40 7.275 -10.402 -1.478 1.00 74.42 H new ATOM 0 HB3 LEU A 40 7.373 -11.529 -2.816 1.00 74.42 H new ATOM 0 HG LEU A 40 8.158 -9.750 -4.300 1.00 32.24 H new ATOM 0 HD11 LEU A 40 8.735 -7.536 -3.393 1.00 1.40 H new ATOM 0 HD12 LEU A 40 6.988 -7.859 -3.285 1.00 1.40 H new ATOM 0 HD13 LEU A 40 8.009 -7.990 -1.833 1.00 1.40 H new ATOM 0 HD21 LEU A 40 10.352 -9.386 -3.245 1.00 65.14 H new ATOM 0 HD22 LEU A 40 9.681 -9.910 -1.682 1.00 65.14 H new ATOM 0 HD23 LEU A 40 9.789 -11.061 -3.035 1.00 65.14 H new ATOM 669 N GLU A 41 5.308 -11.606 -4.849 1.00 23.05 N ATOM 670 CA GLU A 41 5.039 -11.904 -6.252 1.00 4.15 C ATOM 671 C GLU A 41 3.732 -11.265 -6.682 1.00 0.22 C ATOM 672 O GLU A 41 3.608 -10.767 -7.806 1.00 44.13 O ATOM 673 CB GLU A 41 4.988 -13.414 -6.482 1.00 45.54 C ATOM 674 CG GLU A 41 6.327 -14.102 -6.301 1.00 2.45 C ATOM 675 CD GLU A 41 7.330 -13.722 -7.370 1.00 22.22 C ATOM 676 OE1 GLU A 41 7.768 -12.557 -7.402 1.00 50.32 O ATOM 677 OE2 GLU A 41 7.700 -14.599 -8.183 1.00 65.41 O ATOM 0 H GLU A 41 5.334 -12.425 -4.241 1.00 23.05 H new ATOM 0 HA GLU A 41 5.849 -11.491 -6.853 1.00 4.15 H new ATOM 0 HB2 GLU A 41 4.267 -13.854 -5.793 1.00 45.54 H new ATOM 0 HB3 GLU A 41 4.623 -13.607 -7.491 1.00 45.54 H new ATOM 0 HG2 GLU A 41 6.732 -13.847 -5.322 1.00 2.45 H new ATOM 0 HG3 GLU A 41 6.180 -15.182 -6.314 1.00 2.45 H new ATOM 684 N LEU A 42 2.762 -11.273 -5.781 1.00 10.52 N ATOM 685 CA LEU A 42 1.481 -10.650 -6.041 1.00 13.15 C ATOM 686 C LEU A 42 1.653 -9.145 -6.175 1.00 73.30 C ATOM 687 O LEU A 42 1.174 -8.541 -7.136 1.00 35.21 O ATOM 688 CB LEU A 42 0.481 -10.972 -4.925 1.00 52.13 C ATOM 689 CG LEU A 42 0.151 -12.454 -4.726 1.00 44.14 C ATOM 690 CD1 LEU A 42 -0.809 -12.633 -3.566 1.00 51.32 C ATOM 691 CD2 LEU A 42 -0.432 -13.054 -6.000 1.00 22.22 C ATOM 0 H LEU A 42 2.842 -11.707 -4.861 1.00 10.52 H new ATOM 0 HA LEU A 42 1.087 -11.049 -6.976 1.00 13.15 H new ATOM 0 HB2 LEU A 42 0.874 -10.579 -3.988 1.00 52.13 H new ATOM 0 HB3 LEU A 42 -0.447 -10.438 -5.131 1.00 52.13 H new ATOM 0 HG LEU A 42 1.076 -12.981 -4.494 1.00 44.14 H new ATOM 0 HD11 LEU A 42 -1.033 -13.692 -3.439 1.00 51.32 H new ATOM 0 HD12 LEU A 42 -0.354 -12.246 -2.654 1.00 51.32 H new ATOM 0 HD13 LEU A 42 -1.731 -12.089 -3.770 1.00 51.32 H new ATOM 0 HD21 LEU A 42 -0.659 -14.107 -5.835 1.00 22.22 H new ATOM 0 HD22 LEU A 42 -1.346 -12.523 -6.267 1.00 22.22 H new ATOM 0 HD23 LEU A 42 0.291 -12.961 -6.810 1.00 22.22 H new ATOM 703 N ILE A 43 2.365 -8.552 -5.209 1.00 21.13 N ATOM 704 CA ILE A 43 2.638 -7.114 -5.196 1.00 34.03 C ATOM 705 C ILE A 43 3.277 -6.669 -6.505 1.00 62.01 C ATOM 706 O ILE A 43 2.778 -5.761 -7.168 1.00 5.43 O ATOM 707 CB ILE A 43 3.573 -6.724 -4.014 1.00 35.23 C ATOM 708 CG1 ILE A 43 2.877 -6.961 -2.669 1.00 63.23 C ATOM 709 CG2 ILE A 43 4.031 -5.271 -4.129 1.00 61.14 C ATOM 710 CD1 ILE A 43 1.660 -6.090 -2.440 1.00 71.12 C ATOM 0 H ILE A 43 2.766 -9.056 -4.418 1.00 21.13 H new ATOM 0 HA ILE A 43 1.680 -6.609 -5.071 1.00 34.03 H new ATOM 0 HB ILE A 43 4.455 -7.362 -4.064 1.00 35.23 H new ATOM 0 HG12 ILE A 43 2.578 -8.007 -2.606 1.00 63.23 H new ATOM 0 HG13 ILE A 43 3.593 -6.785 -1.866 1.00 63.23 H new ATOM 0 HG21 ILE A 43 4.683 -5.027 -3.290 1.00 61.14 H new ATOM 0 HG22 ILE A 43 4.576 -5.134 -5.063 1.00 61.14 H new ATOM 0 HG23 ILE A 43 3.162 -4.613 -4.116 1.00 61.14 H new ATOM 0 HD11 ILE A 43 1.226 -6.320 -1.467 1.00 71.12 H new ATOM 0 HD12 ILE A 43 1.953 -5.041 -2.468 1.00 71.12 H new ATOM 0 HD13 ILE A 43 0.923 -6.282 -3.220 1.00 71.12 H new ATOM 722 N ASN A 44 4.367 -7.327 -6.881 1.00 35.12 N ATOM 723 CA ASN A 44 5.076 -6.993 -8.114 1.00 23.22 C ATOM 724 C ASN A 44 4.167 -7.136 -9.325 1.00 73.42 C ATOM 725 O ASN A 44 4.194 -6.299 -10.233 1.00 61.33 O ATOM 726 CB ASN A 44 6.334 -7.850 -8.281 1.00 54.44 C ATOM 727 CG ASN A 44 7.511 -7.333 -7.472 1.00 51.03 C ATOM 728 OD1 ASN A 44 8.274 -6.485 -7.939 1.00 12.51 O ATOM 729 ND2 ASN A 44 7.675 -7.838 -6.265 1.00 50.44 N ATOM 0 H ASN A 44 4.780 -8.095 -6.352 1.00 35.12 H new ATOM 0 HA ASN A 44 5.385 -5.950 -8.042 1.00 23.22 H new ATOM 0 HB2 ASN A 44 6.113 -8.874 -7.979 1.00 54.44 H new ATOM 0 HB3 ASN A 44 6.609 -7.881 -9.335 1.00 54.44 H new ATOM 0 HD21 ASN A 44 8.454 -7.528 -5.684 1.00 50.44 H new ATOM 0 HD22 ASN A 44 7.023 -8.538 -5.912 1.00 50.44 H new ATOM 736 N GLY A 45 3.349 -8.187 -9.326 1.00 2.03 N ATOM 737 CA GLY A 45 2.409 -8.399 -10.410 1.00 24.21 C ATOM 738 C GLY A 45 1.428 -7.250 -10.536 1.00 32.25 C ATOM 739 O GLY A 45 1.121 -6.801 -11.646 1.00 11.14 O ATOM 0 H GLY A 45 3.322 -8.896 -8.593 1.00 2.03 H new ATOM 0 HA2 GLY A 45 2.954 -8.516 -11.347 1.00 24.21 H new ATOM 0 HA3 GLY A 45 1.863 -9.327 -10.241 1.00 24.21 H new ATOM 743 N TYR A 46 0.942 -6.763 -9.399 1.00 13.35 N ATOM 744 CA TYR A 46 0.019 -5.642 -9.391 1.00 70.52 C ATOM 745 C TYR A 46 0.719 -4.378 -9.857 1.00 21.11 C ATOM 746 O TYR A 46 0.169 -3.617 -10.643 1.00 54.01 O ATOM 747 CB TYR A 46 -0.599 -5.433 -8.001 1.00 73.50 C ATOM 748 CG TYR A 46 -1.454 -6.593 -7.535 1.00 62.31 C ATOM 749 CD1 TYR A 46 -2.401 -7.163 -8.377 1.00 63.24 C ATOM 750 CD2 TYR A 46 -1.309 -7.120 -6.259 1.00 61.02 C ATOM 751 CE1 TYR A 46 -3.176 -8.225 -7.961 1.00 21.43 C ATOM 752 CE2 TYR A 46 -2.083 -8.182 -5.835 1.00 22.11 C ATOM 753 CZ TYR A 46 -3.013 -8.731 -6.691 1.00 14.12 C ATOM 754 OH TYR A 46 -3.777 -9.795 -6.278 1.00 73.50 O ATOM 0 H TYR A 46 1.173 -7.128 -8.475 1.00 13.35 H new ATOM 0 HA TYR A 46 -0.791 -5.872 -10.083 1.00 70.52 H new ATOM 0 HB2 TYR A 46 0.200 -5.269 -7.278 1.00 73.50 H new ATOM 0 HB3 TYR A 46 -1.206 -4.528 -8.015 1.00 73.50 H new ATOM 0 HD1 TYR A 46 -2.532 -6.768 -9.374 1.00 63.24 H new ATOM 0 HD2 TYR A 46 -0.579 -6.693 -5.587 1.00 61.02 H new ATOM 0 HE1 TYR A 46 -3.907 -8.658 -8.628 1.00 21.43 H new ATOM 0 HE2 TYR A 46 -1.960 -8.580 -4.839 1.00 22.11 H new ATOM 0 HH TYR A 46 -4.664 -9.476 -6.009 1.00 73.50 H new ATOM 764 N ILE A 47 1.950 -4.176 -9.379 1.00 33.21 N ATOM 765 CA ILE A 47 2.751 -3.016 -9.774 1.00 51.31 C ATOM 766 C ILE A 47 2.890 -2.957 -11.296 1.00 72.53 C ATOM 767 O ILE A 47 2.777 -1.887 -11.898 1.00 72.51 O ATOM 768 CB ILE A 47 4.160 -3.038 -9.119 1.00 72.21 C ATOM 769 CG1 ILE A 47 4.041 -2.938 -7.592 1.00 3.23 C ATOM 770 CG2 ILE A 47 5.026 -1.904 -9.660 1.00 15.42 C ATOM 771 CD1 ILE A 47 5.372 -2.993 -6.867 1.00 45.51 C ATOM 0 H ILE A 47 2.413 -4.801 -8.719 1.00 33.21 H new ATOM 0 HA ILE A 47 2.229 -2.126 -9.422 1.00 51.31 H new ATOM 0 HB ILE A 47 4.639 -3.984 -9.371 1.00 72.21 H new ATOM 0 HG12 ILE A 47 3.538 -2.005 -7.337 1.00 3.23 H new ATOM 0 HG13 ILE A 47 3.409 -3.750 -7.233 1.00 3.23 H new ATOM 0 HG21 ILE A 47 6.008 -1.939 -9.188 1.00 15.42 H new ATOM 0 HG22 ILE A 47 5.138 -2.015 -10.739 1.00 15.42 H new ATOM 0 HG23 ILE A 47 4.552 -0.947 -9.441 1.00 15.42 H new ATOM 0 HD11 ILE A 47 5.205 -2.916 -5.793 1.00 45.51 H new ATOM 0 HD12 ILE A 47 5.869 -3.937 -7.090 1.00 45.51 H new ATOM 0 HD13 ILE A 47 6.000 -2.165 -7.196 1.00 45.51 H new ATOM 783 N GLN A 48 3.113 -4.116 -11.911 1.00 11.22 N ATOM 784 CA GLN A 48 3.216 -4.201 -13.367 1.00 25.31 C ATOM 785 C GLN A 48 1.939 -3.668 -14.012 1.00 41.11 C ATOM 786 O GLN A 48 1.981 -2.805 -14.893 1.00 51.35 O ATOM 787 CB GLN A 48 3.452 -5.647 -13.818 1.00 21.43 C ATOM 788 CG GLN A 48 4.737 -6.273 -13.301 1.00 63.12 C ATOM 789 CD GLN A 48 5.986 -5.579 -13.809 1.00 71.32 C ATOM 790 OE1 GLN A 48 6.505 -5.916 -14.873 1.00 22.22 O ATOM 791 NE2 GLN A 48 6.492 -4.635 -13.047 1.00 42.42 N ATOM 0 H GLN A 48 3.226 -5.007 -11.427 1.00 11.22 H new ATOM 0 HA GLN A 48 4.066 -3.596 -13.682 1.00 25.31 H new ATOM 0 HB2 GLN A 48 2.610 -6.257 -13.491 1.00 21.43 H new ATOM 0 HB3 GLN A 48 3.463 -5.676 -14.908 1.00 21.43 H new ATOM 0 HG2 GLN A 48 4.733 -6.248 -12.211 1.00 63.12 H new ATOM 0 HG3 GLN A 48 4.767 -7.322 -13.596 1.00 63.12 H new ATOM 0 HE21 GLN A 48 6.032 -4.385 -12.172 1.00 42.42 H new ATOM 0 HE22 GLN A 48 7.345 -4.153 -13.331 1.00 42.42 H new ATOM 800 N LYS A 49 0.801 -4.166 -13.537 1.00 13.45 N ATOM 801 CA LYS A 49 -0.503 -3.767 -14.055 1.00 12.21 C ATOM 802 C LYS A 49 -0.764 -2.281 -13.832 1.00 3.14 C ATOM 803 O LYS A 49 -1.370 -1.620 -14.676 1.00 12.54 O ATOM 804 CB LYS A 49 -1.607 -4.600 -13.406 1.00 21.51 C ATOM 805 CG LYS A 49 -1.612 -6.057 -13.836 1.00 14.22 C ATOM 806 CD LYS A 49 -2.638 -6.858 -13.056 1.00 62.23 C ATOM 807 CE LYS A 49 -2.825 -8.255 -13.633 1.00 1.35 C ATOM 808 NZ LYS A 49 -1.559 -9.029 -13.664 1.00 75.40 N ATOM 0 H LYS A 49 0.757 -4.854 -12.786 1.00 13.45 H new ATOM 0 HA LYS A 49 -0.503 -3.948 -15.130 1.00 12.21 H new ATOM 0 HB2 LYS A 49 -1.496 -4.551 -12.323 1.00 21.51 H new ATOM 0 HB3 LYS A 49 -2.573 -4.157 -13.648 1.00 21.51 H new ATOM 0 HG2 LYS A 49 -1.830 -6.123 -14.902 1.00 14.22 H new ATOM 0 HG3 LYS A 49 -0.621 -6.486 -13.686 1.00 14.22 H new ATOM 0 HD2 LYS A 49 -2.324 -6.934 -12.015 1.00 62.23 H new ATOM 0 HD3 LYS A 49 -3.592 -6.331 -13.064 1.00 62.23 H new ATOM 0 HE2 LYS A 49 -3.563 -8.794 -13.039 1.00 1.35 H new ATOM 0 HE3 LYS A 49 -3.225 -8.177 -14.644 1.00 1.35 H new ATOM 0 HZ1 LYS A 49 -1.758 -10.008 -13.952 1.00 75.40 H new ATOM 0 HZ2 LYS A 49 -0.903 -8.594 -14.344 1.00 75.40 H new ATOM 0 HZ3 LYS A 49 -1.128 -9.027 -12.718 1.00 75.40 H new ATOM 822 N ILE A 50 -0.307 -1.762 -12.699 1.00 31.12 N ATOM 823 CA ILE A 50 -0.472 -0.348 -12.380 1.00 43.24 C ATOM 824 C ILE A 50 0.315 0.519 -13.362 1.00 33.12 C ATOM 825 O ILE A 50 -0.231 1.451 -13.953 1.00 75.20 O ATOM 826 CB ILE A 50 -0.025 -0.025 -10.931 1.00 10.13 C ATOM 827 CG1 ILE A 50 -0.864 -0.822 -9.924 1.00 3.43 C ATOM 828 CG2 ILE A 50 -0.142 1.473 -10.652 1.00 23.22 C ATOM 829 CD1 ILE A 50 -0.396 -0.684 -8.489 1.00 5.05 C ATOM 0 H ILE A 50 0.182 -2.300 -11.984 1.00 31.12 H new ATOM 0 HA ILE A 50 -1.535 -0.123 -12.465 1.00 43.24 H new ATOM 0 HB ILE A 50 1.020 -0.314 -10.821 1.00 10.13 H new ATOM 0 HG12 ILE A 50 -1.901 -0.494 -9.991 1.00 3.43 H new ATOM 0 HG13 ILE A 50 -0.844 -1.876 -10.203 1.00 3.43 H new ATOM 0 HG21 ILE A 50 0.176 1.679 -9.630 1.00 23.22 H new ATOM 0 HG22 ILE A 50 0.492 2.023 -11.347 1.00 23.22 H new ATOM 0 HG23 ILE A 50 -1.178 1.787 -10.779 1.00 23.22 H new ATOM 0 HD11 ILE A 50 -1.039 -1.276 -7.838 1.00 5.05 H new ATOM 0 HD12 ILE A 50 0.631 -1.039 -8.405 1.00 5.05 H new ATOM 0 HD13 ILE A 50 -0.443 0.363 -8.190 1.00 5.05 H new ATOM 841 N LYS A 51 1.593 0.189 -13.554 1.00 72.33 N ATOM 842 CA LYS A 51 2.452 0.945 -14.471 1.00 2.24 C ATOM 843 C LYS A 51 1.941 0.841 -15.903 1.00 31.01 C ATOM 844 O LYS A 51 1.993 1.806 -16.664 1.00 34.42 O ATOM 845 CB LYS A 51 3.899 0.444 -14.416 1.00 62.11 C ATOM 846 CG LYS A 51 4.555 0.524 -13.048 1.00 54.14 C ATOM 847 CD LYS A 51 6.048 0.210 -13.130 1.00 24.22 C ATOM 848 CE LYS A 51 6.307 -1.125 -13.818 1.00 23.01 C ATOM 849 NZ LYS A 51 7.756 -1.415 -13.945 1.00 13.13 N ATOM 0 H LYS A 51 2.056 -0.593 -13.090 1.00 72.33 H new ATOM 0 HA LYS A 51 2.425 1.987 -14.152 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.922 -0.592 -14.753 1.00 62.11 H new ATOM 0 HB3 LYS A 51 4.495 1.022 -15.122 1.00 62.11 H new ATOM 0 HG2 LYS A 51 4.413 1.521 -12.632 1.00 54.14 H new ATOM 0 HG3 LYS A 51 4.070 -0.177 -12.368 1.00 54.14 H new ATOM 0 HD2 LYS A 51 6.558 1.005 -13.675 1.00 24.22 H new ATOM 0 HD3 LYS A 51 6.471 0.190 -12.126 1.00 24.22 H new ATOM 0 HE2 LYS A 51 5.826 -1.923 -13.252 1.00 23.01 H new ATOM 0 HE3 LYS A 51 5.851 -1.117 -14.808 1.00 23.01 H new ATOM 0 HZ1 LYS A 51 7.886 -2.332 -14.418 1.00 13.13 H new ATOM 0 HZ2 LYS A 51 8.212 -0.668 -14.507 1.00 13.13 H new ATOM 0 HZ3 LYS A 51 8.187 -1.449 -12.999 1.00 13.13 H new ATOM 863 N SER A 52 1.447 -0.334 -16.263 1.00 71.45 N ATOM 864 CA SER A 52 0.932 -0.570 -17.603 1.00 53.25 C ATOM 865 C SER A 52 -0.443 0.077 -17.793 1.00 1.12 C ATOM 866 O SER A 52 -0.900 0.266 -18.920 1.00 34.23 O ATOM 867 CB SER A 52 0.851 -2.070 -17.879 1.00 55.33 C ATOM 868 OG SER A 52 2.124 -2.687 -17.724 1.00 72.23 O ATOM 0 H SER A 52 1.392 -1.142 -15.643 1.00 71.45 H new ATOM 0 HA SER A 52 1.620 -0.112 -18.313 1.00 53.25 H new ATOM 0 HB2 SER A 52 0.135 -2.530 -17.199 1.00 55.33 H new ATOM 0 HB3 SER A 52 0.483 -2.238 -18.891 1.00 55.33 H new ATOM 0 HG SER A 52 2.303 -2.833 -16.772 1.00 72.23 H new ATOM 874 N GLY A 53 -1.087 0.423 -16.690 1.00 33.43 N ATOM 875 CA GLY A 53 -2.397 1.026 -16.757 1.00 24.54 C ATOM 876 C GLY A 53 -3.460 0.031 -17.153 1.00 11.31 C ATOM 877 O GLY A 53 -4.357 0.340 -17.933 1.00 40.30 O ATOM 0 H GLY A 53 -0.722 0.295 -15.746 1.00 33.43 H new ATOM 0 HA2 GLY A 53 -2.647 1.457 -15.788 1.00 24.54 H new ATOM 0 HA3 GLY A 53 -2.382 1.845 -17.476 1.00 24.54 H new ATOM 881 N GLU A 54 -3.358 -1.169 -16.623 1.00 23.14 N ATOM 882 CA GLU A 54 -4.312 -2.218 -16.932 1.00 72.33 C ATOM 883 C GLU A 54 -5.573 -2.070 -16.097 1.00 25.11 C ATOM 884 O GLU A 54 -6.683 -2.028 -16.630 1.00 13.04 O ATOM 885 CB GLU A 54 -3.687 -3.591 -16.697 1.00 44.40 C ATOM 886 CG GLU A 54 -2.579 -3.937 -17.674 1.00 22.24 C ATOM 887 CD GLU A 54 -3.085 -4.079 -19.092 1.00 12.52 C ATOM 888 OE1 GLU A 54 -3.661 -5.143 -19.418 1.00 4.32 O ATOM 889 OE2 GLU A 54 -2.908 -3.135 -19.892 1.00 3.41 O ATOM 0 H GLU A 54 -2.622 -1.445 -15.973 1.00 23.14 H new ATOM 0 HA GLU A 54 -4.584 -2.127 -17.984 1.00 72.33 H new ATOM 0 HB2 GLU A 54 -3.289 -3.630 -15.683 1.00 44.40 H new ATOM 0 HB3 GLU A 54 -4.466 -4.350 -16.763 1.00 44.40 H new ATOM 0 HG2 GLU A 54 -1.813 -3.162 -17.640 1.00 22.24 H new ATOM 0 HG3 GLU A 54 -2.104 -4.868 -17.366 1.00 22.24 H new ATOM 896 N GLU A 55 -5.400 -1.975 -14.794 1.00 71.05 N ATOM 897 CA GLU A 55 -6.525 -1.882 -13.885 1.00 20.51 C ATOM 898 C GLU A 55 -6.383 -0.683 -12.958 1.00 55.00 C ATOM 899 O GLU A 55 -5.280 -0.164 -12.757 1.00 23.05 O ATOM 900 CB GLU A 55 -6.655 -3.174 -13.083 1.00 52.20 C ATOM 901 CG GLU A 55 -6.976 -4.387 -13.942 1.00 11.35 C ATOM 902 CD GLU A 55 -6.962 -5.677 -13.165 1.00 74.41 C ATOM 903 OE1 GLU A 55 -7.981 -6.003 -12.524 1.00 1.11 O ATOM 904 OE2 GLU A 55 -5.935 -6.385 -13.202 1.00 43.33 O ATOM 0 H GLU A 55 -4.487 -1.960 -14.339 1.00 71.05 H new ATOM 0 HA GLU A 55 -7.432 -1.740 -14.472 1.00 20.51 H new ATOM 0 HB2 GLU A 55 -5.724 -3.355 -12.545 1.00 52.20 H new ATOM 0 HB3 GLU A 55 -7.437 -3.051 -12.334 1.00 52.20 H new ATOM 0 HG2 GLU A 55 -7.957 -4.254 -14.397 1.00 11.35 H new ATOM 0 HG3 GLU A 55 -6.253 -4.451 -14.755 1.00 11.35 H new ATOM 911 N ASP A 56 -7.501 -0.252 -12.402 1.00 44.24 N ATOM 912 CA ASP A 56 -7.533 0.900 -11.512 1.00 24.54 C ATOM 913 C ASP A 56 -7.102 0.510 -10.099 1.00 33.01 C ATOM 914 O ASP A 56 -7.548 -0.509 -9.561 1.00 61.10 O ATOM 915 CB ASP A 56 -8.933 1.516 -11.501 1.00 41.43 C ATOM 916 CG ASP A 56 -9.036 2.716 -10.591 1.00 41.42 C ATOM 917 OD1 ASP A 56 -8.497 3.787 -10.944 1.00 31.33 O ATOM 918 OD2 ASP A 56 -9.664 2.597 -9.525 1.00 64.24 O ATOM 0 H ASP A 56 -8.411 -0.688 -12.553 1.00 44.24 H new ATOM 0 HA ASP A 56 -6.827 1.643 -11.882 1.00 24.54 H new ATOM 0 HB2 ASP A 56 -9.204 1.810 -12.515 1.00 41.43 H new ATOM 0 HB3 ASP A 56 -9.654 0.763 -11.184 1.00 41.43 H new ATOM 923 N PHE A 57 -6.247 1.338 -9.503 1.00 55.12 N ATOM 924 CA PHE A 57 -5.675 1.070 -8.180 1.00 65.23 C ATOM 925 C PHE A 57 -6.749 0.897 -7.107 1.00 52.42 C ATOM 926 O PHE A 57 -6.615 0.045 -6.226 1.00 52.02 O ATOM 927 CB PHE A 57 -4.708 2.195 -7.781 1.00 73.23 C ATOM 928 CG PHE A 57 -3.968 1.942 -6.489 1.00 65.12 C ATOM 929 CD1 PHE A 57 -2.798 1.203 -6.482 1.00 74.23 C ATOM 930 CD2 PHE A 57 -4.446 2.441 -5.285 1.00 41.12 C ATOM 931 CE1 PHE A 57 -2.115 0.967 -5.303 1.00 44.21 C ATOM 932 CE2 PHE A 57 -3.767 2.208 -4.104 1.00 2.51 C ATOM 933 CZ PHE A 57 -2.601 1.469 -4.114 1.00 60.25 C ATOM 0 H PHE A 57 -5.930 2.213 -9.920 1.00 55.12 H new ATOM 0 HA PHE A 57 -5.131 0.128 -8.250 1.00 65.23 H new ATOM 0 HB2 PHE A 57 -3.982 2.336 -8.582 1.00 73.23 H new ATOM 0 HB3 PHE A 57 -5.268 3.126 -7.690 1.00 73.23 H new ATOM 0 HD1 PHE A 57 -2.413 0.805 -7.410 1.00 74.23 H new ATOM 0 HD2 PHE A 57 -5.359 3.018 -5.271 1.00 41.12 H new ATOM 0 HE1 PHE A 57 -1.202 0.390 -5.313 1.00 44.21 H new ATOM 0 HE2 PHE A 57 -4.148 2.604 -3.174 1.00 2.51 H new ATOM 0 HZ PHE A 57 -2.070 1.284 -3.192 1.00 60.25 H new ATOM 943 N GLU A 58 -7.815 1.684 -7.190 1.00 31.02 N ATOM 944 CA GLU A 58 -8.880 1.640 -6.191 1.00 73.43 C ATOM 945 C GLU A 58 -9.537 0.264 -6.133 1.00 71.30 C ATOM 946 O GLU A 58 -9.953 -0.191 -5.065 1.00 22.21 O ATOM 947 CB GLU A 58 -9.919 2.722 -6.467 1.00 43.24 C ATOM 948 CG GLU A 58 -9.364 4.132 -6.365 1.00 51.41 C ATOM 949 CD GLU A 58 -10.383 5.194 -6.697 1.00 23.45 C ATOM 950 OE1 GLU A 58 -11.448 5.237 -6.043 1.00 4.32 O ATOM 951 OE2 GLU A 58 -10.131 5.998 -7.617 1.00 3.35 O ATOM 0 H GLU A 58 -7.966 2.361 -7.938 1.00 31.02 H new ATOM 0 HA GLU A 58 -8.429 1.831 -5.217 1.00 73.43 H new ATOM 0 HB2 GLU A 58 -10.331 2.573 -7.465 1.00 43.24 H new ATOM 0 HB3 GLU A 58 -10.743 2.612 -5.762 1.00 43.24 H new ATOM 0 HG2 GLU A 58 -8.992 4.297 -5.354 1.00 51.41 H new ATOM 0 HG3 GLU A 58 -8.513 4.231 -7.038 1.00 51.41 H new ATOM 958 N SER A 59 -9.608 -0.404 -7.273 1.00 74.24 N ATOM 959 CA SER A 59 -10.190 -1.728 -7.333 1.00 2.33 C ATOM 960 C SER A 59 -9.252 -2.737 -6.684 1.00 21.21 C ATOM 961 O SER A 59 -9.680 -3.594 -5.912 1.00 62.43 O ATOM 962 CB SER A 59 -10.480 -2.125 -8.783 1.00 1.32 C ATOM 963 OG SER A 59 -11.206 -3.341 -8.850 1.00 4.23 O ATOM 0 H SER A 59 -9.269 -0.048 -8.167 1.00 74.24 H new ATOM 0 HA SER A 59 -11.133 -1.720 -6.787 1.00 2.33 H new ATOM 0 HB2 SER A 59 -11.047 -1.333 -9.272 1.00 1.32 H new ATOM 0 HB3 SER A 59 -9.542 -2.229 -9.328 1.00 1.32 H new ATOM 0 HG SER A 59 -11.378 -3.568 -9.788 1.00 4.23 H new ATOM 969 N LEU A 60 -7.965 -2.614 -6.983 1.00 34.43 N ATOM 970 CA LEU A 60 -6.958 -3.509 -6.425 1.00 4.11 C ATOM 971 C LEU A 60 -6.869 -3.348 -4.913 1.00 72.43 C ATOM 972 O LEU A 60 -6.813 -4.330 -4.185 1.00 12.05 O ATOM 973 CB LEU A 60 -5.583 -3.267 -7.071 1.00 63.24 C ATOM 974 CG LEU A 60 -5.336 -3.946 -8.431 1.00 3.33 C ATOM 975 CD1 LEU A 60 -6.337 -3.482 -9.477 1.00 11.01 C ATOM 976 CD2 LEU A 60 -3.917 -3.682 -8.903 1.00 54.42 C ATOM 0 H LEU A 60 -7.593 -1.901 -7.611 1.00 34.43 H new ATOM 0 HA LEU A 60 -7.263 -4.532 -6.647 1.00 4.11 H new ATOM 0 HB2 LEU A 60 -5.449 -2.193 -7.196 1.00 63.24 H new ATOM 0 HB3 LEU A 60 -4.815 -3.605 -6.376 1.00 63.24 H new ATOM 0 HG LEU A 60 -5.471 -5.019 -8.296 1.00 3.33 H new ATOM 0 HD11 LEU A 60 -6.132 -3.982 -10.424 1.00 11.01 H new ATOM 0 HD12 LEU A 60 -7.347 -3.727 -9.148 1.00 11.01 H new ATOM 0 HD13 LEU A 60 -6.251 -2.404 -9.610 1.00 11.01 H new ATOM 0 HD21 LEU A 60 -3.757 -4.168 -9.865 1.00 54.42 H new ATOM 0 HD22 LEU A 60 -3.763 -2.608 -9.009 1.00 54.42 H new ATOM 0 HD23 LEU A 60 -3.211 -4.080 -8.174 1.00 54.42 H new ATOM 988 N ALA A 61 -6.898 -2.099 -4.451 1.00 71.42 N ATOM 989 CA ALA A 61 -6.815 -1.792 -3.022 1.00 71.25 C ATOM 990 C ALA A 61 -8.048 -2.288 -2.260 1.00 64.33 C ATOM 991 O ALA A 61 -8.068 -2.295 -1.024 1.00 31.32 O ATOM 992 CB ALA A 61 -6.636 -0.295 -2.817 1.00 34.43 C ATOM 0 H ALA A 61 -6.979 -1.277 -5.050 1.00 71.42 H new ATOM 0 HA ALA A 61 -5.948 -2.317 -2.621 1.00 71.25 H new ATOM 0 HB1 ALA A 61 -6.576 -0.078 -1.750 1.00 34.43 H new ATOM 0 HB2 ALA A 61 -5.719 0.032 -3.306 1.00 34.43 H new ATOM 0 HB3 ALA A 61 -7.486 0.235 -3.247 1.00 34.43 H new ATOM 998 N SER A 62 -9.065 -2.687 -2.995 1.00 52.34 N ATOM 999 CA SER A 62 -10.274 -3.209 -2.401 1.00 23.11 C ATOM 1000 C SER A 62 -10.332 -4.738 -2.541 1.00 41.43 C ATOM 1001 O SER A 62 -10.462 -5.455 -1.553 1.00 21.13 O ATOM 1002 CB SER A 62 -11.501 -2.566 -3.056 1.00 42.12 C ATOM 1003 OG SER A 62 -11.421 -1.146 -3.013 1.00 54.14 O ATOM 0 H SER A 62 -9.076 -2.658 -4.015 1.00 52.34 H new ATOM 0 HA SER A 62 -10.272 -2.964 -1.339 1.00 23.11 H new ATOM 0 HB2 SER A 62 -11.580 -2.897 -4.091 1.00 42.12 H new ATOM 0 HB3 SER A 62 -12.405 -2.898 -2.546 1.00 42.12 H new ATOM 0 HG SER A 62 -11.082 -0.811 -3.869 1.00 54.14 H new ATOM 1009 N GLN A 63 -10.198 -5.224 -3.774 1.00 20.01 N ATOM 1010 CA GLN A 63 -10.303 -6.657 -4.062 1.00 12.34 C ATOM 1011 C GLN A 63 -9.135 -7.454 -3.488 1.00 54.21 C ATOM 1012 O GLN A 63 -9.320 -8.568 -2.996 1.00 35.41 O ATOM 1013 CB GLN A 63 -10.397 -6.900 -5.571 1.00 1.43 C ATOM 1014 CG GLN A 63 -11.600 -6.247 -6.231 1.00 33.32 C ATOM 1015 CD GLN A 63 -11.701 -6.547 -7.717 1.00 63.43 C ATOM 1016 OE1 GLN A 63 -10.568 -6.747 -8.368 1.00 60.51 O flip ATOM 1017 NE2 GLN A 63 -12.793 -6.594 -8.275 1.00 71.22 N flip ATOM 0 H GLN A 63 -10.016 -4.645 -4.594 1.00 20.01 H new ATOM 0 HA GLN A 63 -11.215 -7.006 -3.577 1.00 12.34 H new ATOM 0 HB2 GLN A 63 -9.489 -6.527 -6.045 1.00 1.43 H new ATOM 0 HB3 GLN A 63 -10.434 -7.974 -5.754 1.00 1.43 H new ATOM 0 HG2 GLN A 63 -12.509 -6.588 -5.735 1.00 33.32 H new ATOM 0 HG3 GLN A 63 -11.544 -5.168 -6.087 1.00 33.32 H new ATOM 0 HE21 GLN A 63 -13.646 -6.434 -7.740 1.00 71.22 H new ATOM 0 HE22 GLN A 63 -12.847 -6.793 -9.274 1.00 71.22 H new ATOM 1026 N PHE A 64 -7.941 -6.896 -3.553 1.00 40.44 N ATOM 1027 CA PHE A 64 -6.761 -7.597 -3.077 1.00 1.12 C ATOM 1028 C PHE A 64 -5.940 -6.718 -2.154 1.00 44.21 C ATOM 1029 O PHE A 64 -4.995 -6.058 -2.581 1.00 51.23 O ATOM 1030 CB PHE A 64 -5.904 -8.083 -4.251 1.00 21.53 C ATOM 1031 CG PHE A 64 -6.622 -9.033 -5.168 1.00 52.41 C ATOM 1032 CD1 PHE A 64 -6.761 -10.369 -4.830 1.00 21.44 C ATOM 1033 CD2 PHE A 64 -7.163 -8.589 -6.366 1.00 41.02 C ATOM 1034 CE1 PHE A 64 -7.422 -11.244 -5.667 1.00 41.23 C ATOM 1035 CE2 PHE A 64 -7.826 -9.461 -7.206 1.00 4.22 C ATOM 1036 CZ PHE A 64 -7.957 -10.790 -6.855 1.00 1.43 C ATOM 0 H PHE A 64 -7.762 -5.965 -3.928 1.00 40.44 H new ATOM 0 HA PHE A 64 -7.097 -8.466 -2.512 1.00 1.12 H new ATOM 0 HB2 PHE A 64 -5.568 -7.220 -4.826 1.00 21.53 H new ATOM 0 HB3 PHE A 64 -5.012 -8.573 -3.860 1.00 21.53 H new ATOM 0 HD1 PHE A 64 -6.347 -10.730 -3.900 1.00 21.44 H new ATOM 0 HD2 PHE A 64 -7.064 -7.550 -6.644 1.00 41.02 H new ATOM 0 HE1 PHE A 64 -7.521 -12.284 -5.392 1.00 41.23 H new ATOM 0 HE2 PHE A 64 -8.242 -9.104 -8.137 1.00 4.22 H new ATOM 0 HZ PHE A 64 -8.478 -11.473 -7.510 1.00 1.43 H new ATOM 1046 N SER A 65 -6.321 -6.702 -0.896 1.00 33.34 N ATOM 1047 CA SER A 65 -5.638 -5.916 0.098 1.00 73.41 C ATOM 1048 C SER A 65 -6.064 -6.374 1.491 1.00 13.24 C ATOM 1049 O SER A 65 -6.753 -7.392 1.633 1.00 71.25 O ATOM 1050 CB SER A 65 -5.935 -4.418 -0.108 1.00 64.30 C ATOM 1051 OG SER A 65 -5.134 -3.590 0.738 1.00 24.54 O ATOM 0 H SER A 65 -7.113 -7.235 -0.537 1.00 33.34 H new ATOM 0 HA SER A 65 -4.562 -6.059 -0.002 1.00 73.41 H new ATOM 0 HB2 SER A 65 -5.755 -4.153 -1.150 1.00 64.30 H new ATOM 0 HB3 SER A 65 -6.989 -4.227 0.092 1.00 64.30 H new ATOM 0 HG SER A 65 -5.696 -2.899 1.147 1.00 24.54 H new ATOM 1057 N ASP A 66 -5.653 -5.631 2.496 1.00 43.04 N ATOM 1058 CA ASP A 66 -5.941 -5.952 3.879 1.00 70.11 C ATOM 1059 C ASP A 66 -7.404 -5.715 4.224 1.00 3.54 C ATOM 1060 O ASP A 66 -8.180 -6.662 4.315 1.00 0.42 O ATOM 1061 CB ASP A 66 -5.039 -5.138 4.806 1.00 14.02 C ATOM 1062 CG ASP A 66 -5.361 -5.344 6.269 1.00 51.22 C ATOM 1063 OD1 ASP A 66 -4.984 -6.394 6.823 1.00 73.20 O ATOM 1064 OD2 ASP A 66 -5.968 -4.445 6.874 1.00 30.52 O ATOM 0 H ASP A 66 -5.105 -4.779 2.376 1.00 43.04 H new ATOM 0 HA ASP A 66 -5.740 -7.014 4.021 1.00 70.11 H new ATOM 0 HB2 ASP A 66 -3.999 -5.412 4.626 1.00 14.02 H new ATOM 0 HB3 ASP A 66 -5.137 -4.080 4.563 1.00 14.02 H new ATOM 1069 N ALA A 67 -7.782 -4.450 4.401 1.00 23.40 N ATOM 1070 CA ALA A 67 -9.150 -4.116 4.779 1.00 41.45 C ATOM 1071 C ALA A 67 -9.404 -2.619 4.725 1.00 31.22 C ATOM 1072 O ALA A 67 -10.219 -2.144 3.937 1.00 42.40 O ATOM 1073 CB ALA A 67 -9.437 -4.625 6.183 1.00 1.34 C ATOM 0 H ALA A 67 -7.164 -3.646 4.289 1.00 23.40 H new ATOM 0 HA ALA A 67 -9.815 -4.597 4.062 1.00 41.45 H new ATOM 0 HB1 ALA A 67 -10.461 -4.372 6.459 1.00 1.34 H new ATOM 0 HB2 ALA A 67 -9.310 -5.707 6.211 1.00 1.34 H new ATOM 0 HB3 ALA A 67 -8.746 -4.161 6.887 1.00 1.34 H new ATOM 1079 N SER A 68 -8.684 -1.886 5.564 1.00 43.11 N ATOM 1080 CA SER A 68 -8.852 -0.437 5.728 1.00 43.10 C ATOM 1081 C SER A 68 -8.694 0.343 4.408 1.00 22.14 C ATOM 1082 O SER A 68 -9.149 1.481 4.292 1.00 43.42 O ATOM 1083 CB SER A 68 -7.834 0.057 6.749 1.00 73.13 C ATOM 1084 OG SER A 68 -7.727 -0.863 7.825 1.00 23.14 O ATOM 0 H SER A 68 -7.956 -2.280 6.160 1.00 43.11 H new ATOM 0 HA SER A 68 -9.871 -0.256 6.071 1.00 43.10 H new ATOM 0 HB2 SER A 68 -6.862 0.183 6.272 1.00 73.13 H new ATOM 0 HB3 SER A 68 -8.133 1.035 7.126 1.00 73.13 H new ATOM 0 HG SER A 68 -7.069 -0.534 8.472 1.00 23.14 H new ATOM 1090 N SER A 69 -8.063 -0.270 3.427 1.00 51.42 N ATOM 1091 CA SER A 69 -7.826 0.380 2.157 1.00 13.10 C ATOM 1092 C SER A 69 -9.093 0.444 1.303 1.00 63.10 C ATOM 1093 O SER A 69 -9.307 1.410 0.584 1.00 40.13 O ATOM 1094 CB SER A 69 -6.718 -0.350 1.408 1.00 32.13 C ATOM 1095 OG SER A 69 -6.961 -1.747 1.397 1.00 70.43 O ATOM 0 H SER A 69 -7.704 -1.223 3.487 1.00 51.42 H new ATOM 0 HA SER A 69 -7.519 1.407 2.356 1.00 13.10 H new ATOM 0 HB2 SER A 69 -6.656 0.022 0.385 1.00 32.13 H new ATOM 0 HB3 SER A 69 -5.757 -0.146 1.880 1.00 32.13 H new ATOM 0 HG SER A 69 -7.394 -1.997 0.554 1.00 70.43 H new ATOM 1101 N ALA A 70 -9.934 -0.577 1.412 1.00 20.40 N ATOM 1102 CA ALA A 70 -11.148 -0.684 0.603 1.00 54.11 C ATOM 1103 C ALA A 70 -12.096 0.499 0.795 1.00 74.31 C ATOM 1104 O ALA A 70 -12.466 1.160 -0.170 1.00 62.05 O ATOM 1105 CB ALA A 70 -11.864 -1.982 0.909 1.00 72.13 C ATOM 0 H ALA A 70 -9.797 -1.353 2.060 1.00 20.40 H new ATOM 0 HA ALA A 70 -10.836 -0.672 -0.441 1.00 54.11 H new ATOM 0 HB1 ALA A 70 -12.766 -2.052 0.302 1.00 72.13 H new ATOM 0 HB2 ALA A 70 -11.208 -2.822 0.682 1.00 72.13 H new ATOM 0 HB3 ALA A 70 -12.134 -2.008 1.965 1.00 72.13 H new ATOM 1111 N LYS A 71 -12.477 0.768 2.040 1.00 21.55 N ATOM 1112 CA LYS A 71 -13.422 1.851 2.341 1.00 63.33 C ATOM 1113 C LYS A 71 -12.907 3.216 1.872 1.00 51.12 C ATOM 1114 O LYS A 71 -13.690 4.099 1.520 1.00 63.11 O ATOM 1115 CB LYS A 71 -13.747 1.892 3.838 1.00 43.24 C ATOM 1116 CG LYS A 71 -12.553 2.182 4.735 1.00 54.30 C ATOM 1117 CD LYS A 71 -12.955 2.177 6.197 1.00 21.20 C ATOM 1118 CE LYS A 71 -11.791 2.543 7.100 1.00 44.04 C ATOM 1119 NZ LYS A 71 -12.172 2.514 8.533 1.00 35.31 N ATOM 0 H LYS A 71 -12.150 0.255 2.859 1.00 21.55 H new ATOM 0 HA LYS A 71 -14.336 1.637 1.786 1.00 63.33 H new ATOM 0 HB2 LYS A 71 -14.508 2.653 4.011 1.00 43.24 H new ATOM 0 HB3 LYS A 71 -14.180 0.935 4.129 1.00 43.24 H new ATOM 0 HG2 LYS A 71 -11.777 1.436 4.565 1.00 54.30 H new ATOM 0 HG3 LYS A 71 -12.126 3.151 4.475 1.00 54.30 H new ATOM 0 HD2 LYS A 71 -13.772 2.882 6.352 1.00 21.20 H new ATOM 0 HD3 LYS A 71 -13.330 1.190 6.468 1.00 21.20 H new ATOM 0 HE2 LYS A 71 -10.967 1.850 6.929 1.00 44.04 H new ATOM 0 HE3 LYS A 71 -11.429 3.538 6.841 1.00 44.04 H new ATOM 0 HZ1 LYS A 71 -11.350 2.770 9.116 1.00 35.31 H new ATOM 0 HZ2 LYS A 71 -12.941 3.194 8.702 1.00 35.31 H new ATOM 0 HZ3 LYS A 71 -12.493 1.558 8.788 1.00 35.31 H new ATOM 1133 N ALA A 72 -11.600 3.380 1.853 1.00 43.21 N ATOM 1134 CA ALA A 72 -11.001 4.634 1.441 1.00 21.55 C ATOM 1135 C ALA A 72 -10.612 4.597 -0.033 1.00 12.41 C ATOM 1136 O ALA A 72 -10.188 5.608 -0.596 1.00 41.41 O ATOM 1137 CB ALA A 72 -9.788 4.940 2.306 1.00 62.15 C ATOM 0 H ALA A 72 -10.930 2.658 2.119 1.00 43.21 H new ATOM 0 HA ALA A 72 -11.738 5.427 1.572 1.00 21.55 H new ATOM 0 HB1 ALA A 72 -9.344 5.884 1.989 1.00 62.15 H new ATOM 0 HB2 ALA A 72 -10.095 5.015 3.349 1.00 62.15 H new ATOM 0 HB3 ALA A 72 -9.055 4.141 2.200 1.00 62.15 H new ATOM 1143 N ARG A 73 -10.786 3.424 -0.656 1.00 33.11 N ATOM 1144 CA ARG A 73 -10.412 3.207 -2.059 1.00 75.34 C ATOM 1145 C ARG A 73 -8.921 3.455 -2.259 1.00 40.05 C ATOM 1146 O ARG A 73 -8.484 3.953 -3.299 1.00 12.31 O ATOM 1147 CB ARG A 73 -11.242 4.084 -3.009 1.00 1.30 C ATOM 1148 CG ARG A 73 -12.649 3.560 -3.297 1.00 51.02 C ATOM 1149 CD ARG A 73 -13.544 3.579 -2.066 1.00 31.03 C ATOM 1150 NE ARG A 73 -14.867 3.021 -2.355 1.00 11.11 N ATOM 1151 CZ ARG A 73 -15.880 2.968 -1.483 1.00 22.42 C ATOM 1152 NH1 ARG A 73 -15.736 3.445 -0.252 1.00 1.13 N ATOM 1153 NH2 ARG A 73 -17.036 2.434 -1.846 1.00 23.12 N ATOM 0 H ARG A 73 -11.188 2.603 -0.204 1.00 33.11 H new ATOM 0 HA ARG A 73 -10.628 2.167 -2.302 1.00 75.34 H new ATOM 0 HB2 ARG A 73 -11.322 5.084 -2.582 1.00 1.30 H new ATOM 0 HB3 ARG A 73 -10.705 4.182 -3.953 1.00 1.30 H new ATOM 0 HG2 ARG A 73 -13.104 4.164 -4.082 1.00 51.02 H new ATOM 0 HG3 ARG A 73 -12.582 2.541 -3.677 1.00 51.02 H new ATOM 0 HD2 ARG A 73 -13.074 3.008 -1.265 1.00 31.03 H new ATOM 0 HD3 ARG A 73 -13.650 4.603 -1.708 1.00 31.03 H new ATOM 0 HE ARG A 73 -15.028 2.645 -3.290 1.00 11.11 H new ATOM 0 HH11 ARG A 73 -14.848 3.856 0.035 1.00 1.13 H new ATOM 0 HH12 ARG A 73 -16.514 3.400 0.406 1.00 1.13 H new ATOM 0 HH21 ARG A 73 -17.153 2.064 -2.789 1.00 23.12 H new ATOM 0 HH22 ARG A 73 -17.809 2.393 -1.182 1.00 23.12 H new ATOM 1167 N GLY A 74 -8.146 3.095 -1.255 1.00 70.23 N ATOM 1168 CA GLY A 74 -6.720 3.269 -1.315 1.00 13.13 C ATOM 1169 C GLY A 74 -6.281 4.632 -0.831 1.00 65.52 C ATOM 1170 O GLY A 74 -5.401 4.737 0.020 1.00 41.23 O ATOM 0 H GLY A 74 -8.487 2.680 -0.388 1.00 70.23 H new ATOM 0 HA2 GLY A 74 -6.238 2.500 -0.711 1.00 13.13 H new ATOM 0 HA3 GLY A 74 -6.383 3.126 -2.342 1.00 13.13 H new ATOM 1174 N ASP A 75 -6.901 5.671 -1.364 1.00 53.30 N ATOM 1175 CA ASP A 75 -6.549 7.055 -1.030 1.00 52.35 C ATOM 1176 C ASP A 75 -6.719 7.351 0.455 1.00 4.41 C ATOM 1177 O ASP A 75 -7.774 7.100 1.032 1.00 53.14 O ATOM 1178 CB ASP A 75 -7.386 8.036 -1.856 1.00 41.24 C ATOM 1179 CG ASP A 75 -7.175 9.479 -1.433 1.00 74.44 C ATOM 1180 OD1 ASP A 75 -6.026 9.943 -1.447 1.00 73.41 O ATOM 1181 OD2 ASP A 75 -8.171 10.161 -1.093 1.00 25.14 O ATOM 0 H ASP A 75 -7.661 5.588 -2.039 1.00 53.30 H new ATOM 0 HA ASP A 75 -5.494 7.183 -1.274 1.00 52.35 H new ATOM 0 HB2 ASP A 75 -7.131 7.929 -2.910 1.00 41.24 H new ATOM 0 HB3 ASP A 75 -8.441 7.782 -1.756 1.00 41.24 H new ATOM 1186 N LEU A 76 -5.669 7.877 1.066 1.00 32.23 N ATOM 1187 CA LEU A 76 -5.711 8.265 2.469 1.00 21.10 C ATOM 1188 C LEU A 76 -5.970 9.749 2.602 1.00 11.24 C ATOM 1189 O LEU A 76 -6.290 10.240 3.688 1.00 42.30 O ATOM 1190 CB LEU A 76 -4.392 7.921 3.168 1.00 11.50 C ATOM 1191 CG LEU A 76 -4.165 6.449 3.489 1.00 53.51 C ATOM 1192 CD1 LEU A 76 -2.751 6.233 4.005 1.00 52.44 C ATOM 1193 CD2 LEU A 76 -5.183 5.970 4.515 1.00 45.10 C ATOM 0 H LEU A 76 -4.772 8.046 0.610 1.00 32.23 H new ATOM 0 HA LEU A 76 -6.522 7.712 2.942 1.00 21.10 H new ATOM 0 HB2 LEU A 76 -3.571 8.265 2.539 1.00 11.50 H new ATOM 0 HB3 LEU A 76 -4.340 8.487 4.098 1.00 11.50 H new ATOM 0 HG LEU A 76 -4.293 5.869 2.575 1.00 53.51 H new ATOM 0 HD11 LEU A 76 -2.603 5.177 4.230 1.00 52.44 H new ATOM 0 HD12 LEU A 76 -2.035 6.546 3.245 1.00 52.44 H new ATOM 0 HD13 LEU A 76 -2.600 6.821 4.910 1.00 52.44 H new ATOM 0 HD21 LEU A 76 -5.010 4.917 4.735 1.00 45.10 H new ATOM 0 HD22 LEU A 76 -5.080 6.554 5.430 1.00 45.10 H new ATOM 0 HD23 LEU A 76 -6.189 6.096 4.115 1.00 45.10 H new ATOM 1205 N GLY A 77 -5.843 10.462 1.501 1.00 65.21 N ATOM 1206 CA GLY A 77 -5.997 11.890 1.539 1.00 72.42 C ATOM 1207 C GLY A 77 -4.733 12.556 2.024 1.00 24.32 C ATOM 1208 O GLY A 77 -3.687 11.910 2.116 1.00 1.03 O ATOM 0 H GLY A 77 -5.636 10.075 0.580 1.00 65.21 H new ATOM 0 HA2 GLY A 77 -6.249 12.259 0.545 1.00 72.42 H new ATOM 0 HA3 GLY A 77 -6.826 12.153 2.196 1.00 72.42 H new ATOM 1212 N ALA A 78 -4.814 13.832 2.330 1.00 71.10 N ATOM 1213 CA ALA A 78 -3.663 14.564 2.819 1.00 55.24 C ATOM 1214 C ALA A 78 -3.448 14.296 4.303 1.00 23.21 C ATOM 1215 O ALA A 78 -4.232 14.740 5.145 1.00 45.24 O ATOM 1216 CB ALA A 78 -3.830 16.054 2.563 1.00 71.11 C ATOM 0 H ALA A 78 -5.666 14.387 2.249 1.00 71.10 H new ATOM 0 HA ALA A 78 -2.782 14.219 2.278 1.00 55.24 H new ATOM 0 HB1 ALA A 78 -2.956 16.588 2.937 1.00 71.11 H new ATOM 0 HB2 ALA A 78 -3.932 16.230 1.492 1.00 71.11 H new ATOM 0 HB3 ALA A 78 -4.722 16.414 3.076 1.00 71.11 H new ATOM 1222 N PHE A 79 -2.399 13.560 4.620 1.00 1.32 N ATOM 1223 CA PHE A 79 -2.085 13.240 6.002 1.00 43.43 C ATOM 1224 C PHE A 79 -0.748 13.845 6.408 1.00 32.13 C ATOM 1225 O PHE A 79 0.129 14.066 5.566 1.00 44.12 O ATOM 1226 CB PHE A 79 -2.099 11.715 6.241 1.00 33.10 C ATOM 1227 CG PHE A 79 -1.148 10.925 5.374 1.00 15.22 C ATOM 1228 CD1 PHE A 79 -1.511 10.547 4.090 1.00 52.15 C ATOM 1229 CD2 PHE A 79 0.103 10.554 5.848 1.00 11.41 C ATOM 1230 CE1 PHE A 79 -0.648 9.815 3.297 1.00 10.21 C ATOM 1231 CE2 PHE A 79 0.969 9.823 5.057 1.00 70.02 C ATOM 1232 CZ PHE A 79 0.593 9.453 3.780 1.00 61.21 C ATOM 0 H PHE A 79 -1.748 13.171 3.938 1.00 1.32 H new ATOM 0 HA PHE A 79 -2.860 13.679 6.631 1.00 43.43 H new ATOM 0 HB2 PHE A 79 -1.858 11.524 7.287 1.00 33.10 H new ATOM 0 HB3 PHE A 79 -3.111 11.345 6.075 1.00 33.10 H new ATOM 0 HD1 PHE A 79 -2.480 10.828 3.705 1.00 52.15 H new ATOM 0 HD2 PHE A 79 0.403 10.840 6.845 1.00 11.41 H new ATOM 0 HE1 PHE A 79 -0.945 9.526 2.299 1.00 10.21 H new ATOM 0 HE2 PHE A 79 1.940 9.541 5.437 1.00 70.02 H new ATOM 0 HZ PHE A 79 1.269 8.882 3.161 1.00 61.21 H new ATOM 1242 N SER A 80 -0.609 14.128 7.690 1.00 74.43 N ATOM 1243 CA SER A 80 0.596 14.734 8.222 1.00 34.40 C ATOM 1244 C SER A 80 1.619 13.669 8.625 1.00 62.04 C ATOM 1245 O SER A 80 1.255 12.533 8.958 1.00 31.22 O ATOM 1246 CB SER A 80 0.239 15.619 9.427 1.00 42.22 C ATOM 1247 OG SER A 80 1.367 16.332 9.910 1.00 23.42 O ATOM 0 H SER A 80 -1.327 13.944 8.390 1.00 74.43 H new ATOM 0 HA SER A 80 1.048 15.349 7.444 1.00 34.40 H new ATOM 0 HB2 SER A 80 -0.542 16.324 9.141 1.00 42.22 H new ATOM 0 HB3 SER A 80 -0.168 14.999 10.226 1.00 42.22 H new ATOM 0 HG SER A 80 1.102 16.885 10.674 1.00 23.42 H new ATOM 1253 N ARG A 81 2.891 14.047 8.585 1.00 65.51 N ATOM 1254 CA ARG A 81 3.982 13.156 8.969 1.00 44.53 C ATOM 1255 C ARG A 81 4.057 12.987 10.487 1.00 1.24 C ATOM 1256 O ARG A 81 3.518 13.801 11.242 1.00 75.44 O ATOM 1257 CB ARG A 81 5.331 13.648 8.391 1.00 31.05 C ATOM 1258 CG ARG A 81 5.531 15.166 8.409 1.00 54.13 C ATOM 1259 CD ARG A 81 5.613 15.726 9.819 1.00 52.34 C ATOM 1260 NE ARG A 81 5.717 17.187 9.825 1.00 11.33 N ATOM 1261 CZ ARG A 81 5.122 17.981 10.720 1.00 53.41 C ATOM 1262 NH1 ARG A 81 4.394 17.453 11.703 1.00 52.11 N ATOM 1263 NH2 ARG A 81 5.264 19.300 10.637 1.00 54.30 N ATOM 0 H ARG A 81 3.195 14.974 8.287 1.00 65.51 H new ATOM 0 HA ARG A 81 3.774 12.175 8.542 1.00 44.53 H new ATOM 0 HB2 ARG A 81 6.141 13.184 8.954 1.00 31.05 H new ATOM 0 HB3 ARG A 81 5.417 13.298 7.362 1.00 31.05 H new ATOM 0 HG2 ARG A 81 6.444 15.415 7.869 1.00 54.13 H new ATOM 0 HG3 ARG A 81 4.707 15.644 7.879 1.00 54.13 H new ATOM 0 HD2 ARG A 81 4.729 15.423 10.381 1.00 52.34 H new ATOM 0 HD3 ARG A 81 6.477 15.299 10.329 1.00 52.34 H new ATOM 0 HE ARG A 81 6.281 17.627 9.098 1.00 11.33 H new ATOM 0 HH11 ARG A 81 4.290 16.441 11.773 1.00 52.11 H new ATOM 0 HH12 ARG A 81 3.941 18.061 12.385 1.00 52.11 H new ATOM 0 HH21 ARG A 81 5.827 19.706 9.890 1.00 54.30 H new ATOM 0 HH22 ARG A 81 4.810 19.906 11.320 1.00 54.30 H new ATOM 1277 N GLY A 82 4.726 11.936 10.922 1.00 74.30 N ATOM 1278 CA GLY A 82 4.820 11.639 12.328 1.00 75.32 C ATOM 1279 C GLY A 82 3.586 10.913 12.809 1.00 11.31 C ATOM 1280 O GLY A 82 3.292 10.891 14.008 1.00 11.30 O ATOM 0 H GLY A 82 5.212 11.275 10.315 1.00 74.30 H new ATOM 0 HA2 GLY A 82 5.703 11.028 12.517 1.00 75.32 H new ATOM 0 HA3 GLY A 82 4.946 12.564 12.892 1.00 75.32 H new ATOM 1284 N GLN A 83 2.863 10.308 11.870 1.00 64.25 N ATOM 1285 CA GLN A 83 1.607 9.631 12.182 1.00 33.03 C ATOM 1286 C GLN A 83 1.502 8.261 11.499 1.00 72.15 C ATOM 1287 O GLN A 83 0.760 7.390 11.953 1.00 61.40 O ATOM 1288 CB GLN A 83 0.423 10.502 11.749 1.00 12.22 C ATOM 1289 CG GLN A 83 0.342 11.848 12.460 1.00 74.12 C ATOM 1290 CD GLN A 83 -0.804 12.708 11.959 1.00 64.50 C ATOM 1291 OE1 GLN A 83 -1.126 12.588 10.688 1.00 2.33 O flip ATOM 1292 NE2 GLN A 83 -1.378 13.495 12.712 1.00 21.22 N flip ATOM 0 H GLN A 83 3.126 10.273 10.885 1.00 64.25 H new ATOM 0 HA GLN A 83 1.585 9.472 13.260 1.00 33.03 H new ATOM 0 HB2 GLN A 83 0.488 10.675 10.675 1.00 12.22 H new ATOM 0 HB3 GLN A 83 -0.502 9.953 11.928 1.00 12.22 H new ATOM 0 HG2 GLN A 83 0.225 11.682 13.531 1.00 74.12 H new ATOM 0 HG3 GLN A 83 1.281 12.384 12.321 1.00 74.12 H new ATOM 0 HE21 GLN A 83 -1.100 13.559 13.691 1.00 21.22 H new ATOM 0 HE22 GLN A 83 -2.132 14.083 12.357 1.00 21.22 H new ATOM 1301 N MET A 84 2.236 8.080 10.419 1.00 25.05 N ATOM 1302 CA MET A 84 2.185 6.839 9.653 1.00 72.04 C ATOM 1303 C MET A 84 3.453 6.014 9.888 1.00 13.21 C ATOM 1304 O MET A 84 4.443 6.538 10.397 1.00 64.00 O ATOM 1305 CB MET A 84 2.019 7.180 8.154 1.00 52.24 C ATOM 1306 CG MET A 84 2.036 5.985 7.210 1.00 40.34 C ATOM 1307 SD MET A 84 0.737 4.780 7.560 1.00 52.54 S ATOM 1308 CE MET A 84 -0.732 5.778 7.309 1.00 51.32 C ATOM 0 H MET A 84 2.880 8.778 10.046 1.00 25.05 H new ATOM 0 HA MET A 84 1.335 6.241 9.980 1.00 72.04 H new ATOM 0 HB2 MET A 84 1.078 7.714 8.022 1.00 52.24 H new ATOM 0 HB3 MET A 84 2.817 7.864 7.863 1.00 52.24 H new ATOM 0 HG2 MET A 84 1.927 6.339 6.185 1.00 40.34 H new ATOM 0 HG3 MET A 84 3.006 5.493 7.276 1.00 40.34 H new ATOM 0 HE1 MET A 84 -1.601 5.128 7.207 1.00 51.32 H new ATOM 0 HE2 MET A 84 -0.873 6.440 8.164 1.00 51.32 H new ATOM 0 HE3 MET A 84 -0.617 6.374 6.404 1.00 51.32 H new ATOM 1318 N GLN A 85 3.405 4.714 9.549 1.00 45.01 N ATOM 1319 CA GLN A 85 4.574 3.838 9.669 1.00 54.44 C ATOM 1320 C GLN A 85 5.755 4.489 8.969 1.00 64.31 C ATOM 1321 O GLN A 85 5.661 4.822 7.792 1.00 43.03 O ATOM 1322 CB GLN A 85 4.299 2.473 9.029 1.00 51.41 C ATOM 1323 CG GLN A 85 3.084 1.752 9.581 1.00 13.04 C ATOM 1324 CD GLN A 85 2.882 0.392 8.938 1.00 54.22 C ATOM 1325 OE1 GLN A 85 3.452 -0.633 9.536 1.00 53.11 O flip ATOM 1326 NE2 GLN A 85 2.212 0.267 7.909 1.00 11.30 N flip ATOM 0 H GLN A 85 2.569 4.251 9.191 1.00 45.01 H new ATOM 0 HA GLN A 85 4.794 3.689 10.726 1.00 54.44 H new ATOM 0 HB2 GLN A 85 4.168 2.609 7.955 1.00 51.41 H new ATOM 0 HB3 GLN A 85 5.175 1.839 9.166 1.00 51.41 H new ATOM 0 HG2 GLN A 85 3.195 1.630 10.658 1.00 13.04 H new ATOM 0 HG3 GLN A 85 2.196 2.364 9.419 1.00 13.04 H new ATOM 0 HE21 GLN A 85 1.786 1.086 7.475 1.00 11.30 H new ATOM 0 HE22 GLN A 85 2.084 -0.655 7.493 1.00 11.30 H new ATOM 1335 N LYS A 86 6.856 4.657 9.689 1.00 42.43 N ATOM 1336 CA LYS A 86 8.037 5.359 9.171 1.00 3.22 C ATOM 1337 C LYS A 86 8.460 4.895 7.758 1.00 52.21 C ATOM 1338 O LYS A 86 8.628 5.730 6.876 1.00 5.13 O ATOM 1339 CB LYS A 86 9.210 5.262 10.145 1.00 42.24 C ATOM 1340 CG LYS A 86 10.363 6.200 9.817 1.00 3.42 C ATOM 1341 CD LYS A 86 9.918 7.656 9.856 1.00 12.11 C ATOM 1342 CE LYS A 86 11.083 8.601 9.636 1.00 33.33 C ATOM 1343 NZ LYS A 86 10.662 10.020 9.696 1.00 21.02 N ATOM 0 H LYS A 86 6.962 4.315 10.644 1.00 42.43 H new ATOM 0 HA LYS A 86 7.743 6.404 9.076 1.00 3.22 H new ATOM 0 HB2 LYS A 86 8.853 5.479 11.152 1.00 42.24 H new ATOM 0 HB3 LYS A 86 9.580 4.237 10.152 1.00 42.24 H new ATOM 0 HG2 LYS A 86 11.174 6.046 10.529 1.00 3.42 H new ATOM 0 HG3 LYS A 86 10.757 5.964 8.829 1.00 3.42 H new ATOM 0 HD2 LYS A 86 9.161 7.826 9.091 1.00 12.11 H new ATOM 0 HD3 LYS A 86 9.452 7.869 10.818 1.00 12.11 H new ATOM 0 HE2 LYS A 86 11.847 8.417 10.391 1.00 33.33 H new ATOM 0 HE3 LYS A 86 11.537 8.398 8.666 1.00 33.33 H new ATOM 0 HZ1 LYS A 86 11.487 10.634 9.541 1.00 21.02 H new ATOM 0 HZ2 LYS A 86 9.951 10.203 8.959 1.00 21.02 H new ATOM 0 HZ3 LYS A 86 10.252 10.221 10.630 1.00 21.02 H new ATOM 1357 N PRO A 87 8.639 3.564 7.510 1.00 13.21 N ATOM 1358 CA PRO A 87 9.027 3.061 6.179 1.00 63.41 C ATOM 1359 C PRO A 87 8.061 3.521 5.078 1.00 63.23 C ATOM 1360 O PRO A 87 8.471 3.795 3.953 1.00 25.45 O ATOM 1361 CB PRO A 87 8.971 1.528 6.335 1.00 64.33 C ATOM 1362 CG PRO A 87 8.209 1.291 7.596 1.00 55.23 C ATOM 1363 CD PRO A 87 8.506 2.463 8.478 1.00 43.31 C ATOM 0 HA PRO A 87 10.006 3.434 5.877 1.00 63.41 H new ATOM 0 HB2 PRO A 87 8.476 1.063 5.482 1.00 64.33 H new ATOM 0 HB3 PRO A 87 9.972 1.101 6.394 1.00 64.33 H new ATOM 0 HG2 PRO A 87 7.140 1.212 7.398 1.00 55.23 H new ATOM 0 HG3 PRO A 87 8.516 0.358 8.069 1.00 55.23 H new ATOM 0 HD2 PRO A 87 7.704 2.646 9.193 1.00 43.31 H new ATOM 0 HD3 PRO A 87 9.420 2.316 9.054 1.00 43.31 H new ATOM 1371 N PHE A 88 6.785 3.627 5.429 1.00 34.53 N ATOM 1372 CA PHE A 88 5.747 4.045 4.492 1.00 4.10 C ATOM 1373 C PHE A 88 5.719 5.573 4.386 1.00 14.34 C ATOM 1374 O PHE A 88 5.696 6.142 3.291 1.00 5.45 O ATOM 1375 CB PHE A 88 4.380 3.519 4.982 1.00 34.21 C ATOM 1376 CG PHE A 88 3.220 3.759 4.039 1.00 61.30 C ATOM 1377 CD1 PHE A 88 2.674 5.027 3.882 1.00 5.42 C ATOM 1378 CD2 PHE A 88 2.670 2.710 3.322 1.00 25.22 C ATOM 1379 CE1 PHE A 88 1.609 5.240 3.031 1.00 43.22 C ATOM 1380 CE2 PHE A 88 1.603 2.918 2.467 1.00 35.10 C ATOM 1381 CZ PHE A 88 1.074 4.185 2.322 1.00 22.03 C ATOM 0 H PHE A 88 6.440 3.427 6.368 1.00 34.53 H new ATOM 0 HA PHE A 88 5.960 3.634 3.505 1.00 4.10 H new ATOM 0 HB2 PHE A 88 4.465 2.447 5.162 1.00 34.21 H new ATOM 0 HB3 PHE A 88 4.151 3.986 5.940 1.00 34.21 H new ATOM 0 HD1 PHE A 88 3.089 5.857 4.434 1.00 5.42 H new ATOM 0 HD2 PHE A 88 3.079 1.717 3.432 1.00 25.22 H new ATOM 0 HE1 PHE A 88 1.195 6.231 2.920 1.00 43.22 H new ATOM 0 HE2 PHE A 88 1.184 2.091 1.914 1.00 35.10 H new ATOM 0 HZ PHE A 88 0.242 4.350 1.654 1.00 22.03 H new ATOM 1391 N GLU A 89 5.732 6.215 5.535 1.00 41.04 N ATOM 1392 CA GLU A 89 5.665 7.662 5.641 1.00 3.52 C ATOM 1393 C GLU A 89 6.868 8.328 4.978 1.00 31.42 C ATOM 1394 O GLU A 89 6.716 9.178 4.103 1.00 63.24 O ATOM 1395 CB GLU A 89 5.593 8.048 7.110 1.00 61.10 C ATOM 1396 CG GLU A 89 5.373 9.519 7.361 1.00 24.35 C ATOM 1397 CD GLU A 89 5.252 9.823 8.827 1.00 53.44 C ATOM 1398 OE1 GLU A 89 4.128 9.743 9.367 1.00 61.51 O ATOM 1399 OE2 GLU A 89 6.282 10.140 9.466 1.00 14.34 O ATOM 0 H GLU A 89 5.790 5.742 6.437 1.00 41.04 H new ATOM 0 HA GLU A 89 4.772 8.009 5.121 1.00 3.52 H new ATOM 0 HB2 GLU A 89 4.785 7.487 7.581 1.00 61.10 H new ATOM 0 HB3 GLU A 89 6.519 7.744 7.598 1.00 61.10 H new ATOM 0 HG2 GLU A 89 6.202 10.088 6.939 1.00 24.35 H new ATOM 0 HG3 GLU A 89 4.469 9.844 6.847 1.00 24.35 H new ATOM 1406 N ASP A 90 8.060 7.912 5.376 1.00 54.34 N ATOM 1407 CA ASP A 90 9.287 8.497 4.845 1.00 11.13 C ATOM 1408 C ASP A 90 9.407 8.246 3.348 1.00 45.22 C ATOM 1409 O ASP A 90 10.048 9.006 2.633 1.00 54.45 O ATOM 1410 CB ASP A 90 10.513 7.942 5.573 1.00 63.12 C ATOM 1411 CG ASP A 90 11.802 8.631 5.162 1.00 14.14 C ATOM 1412 OD1 ASP A 90 12.097 9.716 5.698 1.00 73.54 O ATOM 1413 OD2 ASP A 90 12.536 8.081 4.314 1.00 33.34 O ATOM 0 H ASP A 90 8.207 7.173 6.064 1.00 54.34 H new ATOM 0 HA ASP A 90 9.241 9.573 5.011 1.00 11.13 H new ATOM 0 HB2 ASP A 90 10.373 8.054 6.648 1.00 63.12 H new ATOM 0 HB3 ASP A 90 10.597 6.874 5.372 1.00 63.12 H new ATOM 1418 N ALA A 91 8.779 7.184 2.877 1.00 60.21 N ATOM 1419 CA ALA A 91 8.802 6.859 1.465 1.00 12.50 C ATOM 1420 C ALA A 91 7.855 7.764 0.694 1.00 30.32 C ATOM 1421 O ALA A 91 8.254 8.409 -0.268 1.00 21.32 O ATOM 1422 CB ALA A 91 8.446 5.399 1.242 1.00 65.21 C ATOM 0 H ALA A 91 8.247 6.532 3.453 1.00 60.21 H new ATOM 0 HA ALA A 91 9.814 7.023 1.094 1.00 12.50 H new ATOM 0 HB1 ALA A 91 8.470 5.178 0.175 1.00 65.21 H new ATOM 0 HB2 ALA A 91 9.166 4.766 1.760 1.00 65.21 H new ATOM 0 HB3 ALA A 91 7.446 5.205 1.631 1.00 65.21 H new ATOM 1428 N SER A 92 6.612 7.832 1.151 1.00 3.10 N ATOM 1429 CA SER A 92 5.585 8.637 0.494 1.00 43.24 C ATOM 1430 C SER A 92 5.963 10.123 0.447 1.00 21.44 C ATOM 1431 O SER A 92 5.828 10.778 -0.596 1.00 53.35 O ATOM 1432 CB SER A 92 4.235 8.436 1.188 1.00 34.42 C ATOM 1433 OG SER A 92 4.364 8.526 2.594 1.00 71.32 O ATOM 0 H SER A 92 6.286 7.336 1.981 1.00 3.10 H new ATOM 0 HA SER A 92 5.505 8.298 -0.539 1.00 43.24 H new ATOM 0 HB2 SER A 92 3.527 9.187 0.836 1.00 34.42 H new ATOM 0 HB3 SER A 92 3.826 7.462 0.919 1.00 34.42 H new ATOM 0 HG SER A 92 4.689 7.672 2.948 1.00 71.32 H new ATOM 1439 N PHE A 93 6.449 10.649 1.564 1.00 63.14 N ATOM 1440 CA PHE A 93 6.851 12.050 1.639 1.00 21.54 C ATOM 1441 C PHE A 93 8.099 12.326 0.795 1.00 14.03 C ATOM 1442 O PHE A 93 8.326 13.458 0.363 1.00 4.25 O ATOM 1443 CB PHE A 93 7.081 12.479 3.095 1.00 12.03 C ATOM 1444 CG PHE A 93 5.812 12.734 3.866 1.00 20.11 C ATOM 1445 CD1 PHE A 93 5.044 11.684 4.339 1.00 64.13 C ATOM 1446 CD2 PHE A 93 5.386 14.026 4.112 1.00 51.23 C ATOM 1447 CE1 PHE A 93 3.879 11.918 5.042 1.00 34.42 C ATOM 1448 CE2 PHE A 93 4.224 14.269 4.813 1.00 11.22 C ATOM 1449 CZ PHE A 93 3.469 13.213 5.279 1.00 13.52 C ATOM 0 H PHE A 93 6.575 10.127 2.431 1.00 63.14 H new ATOM 0 HA PHE A 93 6.034 12.643 1.229 1.00 21.54 H new ATOM 0 HB2 PHE A 93 7.655 11.705 3.605 1.00 12.03 H new ATOM 0 HB3 PHE A 93 7.688 13.384 3.105 1.00 12.03 H new ATOM 0 HD1 PHE A 93 5.360 10.668 4.156 1.00 64.13 H new ATOM 0 HD2 PHE A 93 5.972 14.857 3.750 1.00 51.23 H new ATOM 0 HE1 PHE A 93 3.290 11.089 5.405 1.00 34.42 H new ATOM 0 HE2 PHE A 93 3.905 15.284 4.997 1.00 11.22 H new ATOM 0 HZ PHE A 93 2.558 13.400 5.829 1.00 13.52 H new ATOM 1459 N ALA A 94 8.887 11.285 0.540 1.00 74.45 N ATOM 1460 CA ALA A 94 10.106 11.422 -0.257 1.00 1.21 C ATOM 1461 C ALA A 94 9.805 11.326 -1.747 1.00 44.34 C ATOM 1462 O ALA A 94 10.634 11.690 -2.582 1.00 32.21 O ATOM 1463 CB ALA A 94 11.130 10.370 0.141 1.00 21.35 C ATOM 0 H ALA A 94 8.705 10.338 0.872 1.00 74.45 H new ATOM 0 HA ALA A 94 10.522 12.409 -0.057 1.00 1.21 H new ATOM 0 HB1 ALA A 94 12.029 10.490 -0.464 1.00 21.35 H new ATOM 0 HB2 ALA A 94 11.383 10.489 1.195 1.00 21.35 H new ATOM 0 HB3 ALA A 94 10.713 9.376 -0.022 1.00 21.35 H new ATOM 1469 N LEU A 95 8.624 10.830 -2.074 1.00 34.52 N ATOM 1470 CA LEU A 95 8.207 10.700 -3.464 1.00 45.50 C ATOM 1471 C LEU A 95 7.751 12.051 -4.012 1.00 2.11 C ATOM 1472 O LEU A 95 7.970 13.096 -3.394 1.00 30.51 O ATOM 1473 CB LEU A 95 7.063 9.684 -3.591 1.00 51.45 C ATOM 1474 CG LEU A 95 7.362 8.255 -3.136 1.00 54.21 C ATOM 1475 CD1 LEU A 95 6.133 7.378 -3.312 1.00 60.12 C ATOM 1476 CD2 LEU A 95 8.544 7.678 -3.901 1.00 32.02 C ATOM 0 H LEU A 95 7.933 10.509 -1.395 1.00 34.52 H new ATOM 0 HA LEU A 95 9.061 10.348 -4.042 1.00 45.50 H new ATOM 0 HB2 LEU A 95 6.214 10.054 -3.016 1.00 51.45 H new ATOM 0 HB3 LEU A 95 6.751 9.651 -4.635 1.00 51.45 H new ATOM 0 HG LEU A 95 7.624 8.280 -2.078 1.00 54.21 H new ATOM 0 HD11 LEU A 95 6.360 6.364 -2.984 1.00 60.12 H new ATOM 0 HD12 LEU A 95 5.313 7.777 -2.715 1.00 60.12 H new ATOM 0 HD13 LEU A 95 5.844 7.364 -4.363 1.00 60.12 H new ATOM 0 HD21 LEU A 95 8.737 6.661 -3.559 1.00 32.02 H new ATOM 0 HD22 LEU A 95 8.317 7.666 -4.967 1.00 32.02 H new ATOM 0 HD23 LEU A 95 9.426 8.293 -3.725 1.00 32.02 H new ATOM 1488 N ARG A 96 7.130 12.026 -5.170 1.00 22.30 N ATOM 1489 CA ARG A 96 6.601 13.227 -5.785 1.00 14.03 C ATOM 1490 C ARG A 96 5.138 13.016 -6.117 1.00 61.15 C ATOM 1491 O ARG A 96 4.623 11.904 -5.982 1.00 41.12 O ATOM 1492 CB ARG A 96 7.383 13.584 -7.057 1.00 63.23 C ATOM 1493 CG ARG A 96 7.327 12.514 -8.138 1.00 21.13 C ATOM 1494 CD ARG A 96 7.990 12.976 -9.424 1.00 43.32 C ATOM 1495 NE ARG A 96 9.397 13.328 -9.229 1.00 50.34 N ATOM 1496 CZ ARG A 96 10.225 13.677 -10.212 1.00 24.41 C ATOM 1497 NH1 ARG A 96 9.801 13.697 -11.471 1.00 62.03 N ATOM 1498 NH2 ARG A 96 11.481 14.000 -9.933 1.00 20.45 N ATOM 0 H ARG A 96 6.977 11.176 -5.712 1.00 22.30 H new ATOM 0 HA ARG A 96 6.704 14.055 -5.083 1.00 14.03 H new ATOM 0 HB2 ARG A 96 6.991 14.517 -7.463 1.00 63.23 H new ATOM 0 HB3 ARG A 96 8.425 13.764 -6.792 1.00 63.23 H new ATOM 0 HG2 ARG A 96 7.819 11.610 -7.780 1.00 21.13 H new ATOM 0 HG3 ARG A 96 6.288 12.254 -8.338 1.00 21.13 H new ATOM 0 HD2 ARG A 96 7.916 12.187 -10.172 1.00 43.32 H new ATOM 0 HD3 ARG A 96 7.453 13.839 -9.817 1.00 43.32 H new ATOM 0 HE ARG A 96 9.767 13.305 -8.279 1.00 50.34 H new ATOM 0 HH11 ARG A 96 8.837 13.444 -11.689 1.00 62.03 H new ATOM 0 HH12 ARG A 96 10.439 13.965 -12.220 1.00 62.03 H new ATOM 0 HH21 ARG A 96 11.810 13.981 -8.968 1.00 20.45 H new ATOM 0 HH22 ARG A 96 12.118 14.268 -10.684 1.00 20.45 H new ATOM 1512 N THR A 97 4.471 14.066 -6.538 1.00 75.04 N ATOM 1513 CA THR A 97 3.082 13.972 -6.924 1.00 72.14 C ATOM 1514 C THR A 97 2.934 13.079 -8.158 1.00 23.12 C ATOM 1515 O THR A 97 3.490 13.372 -9.221 1.00 12.01 O ATOM 1516 CB THR A 97 2.503 15.370 -7.202 1.00 53.01 C ATOM 1517 OG1 THR A 97 2.486 16.128 -5.980 1.00 72.23 O ATOM 1518 CG2 THR A 97 1.096 15.286 -7.774 1.00 25.44 C ATOM 0 H THR A 97 4.871 15.001 -6.622 1.00 75.04 H new ATOM 0 HA THR A 97 2.524 13.526 -6.101 1.00 72.14 H new ATOM 0 HB THR A 97 3.135 15.863 -7.940 1.00 53.01 H new ATOM 0 HG1 THR A 97 2.013 15.621 -5.287 1.00 72.23 H new ATOM 0 HG21 THR A 97 0.718 16.291 -7.958 1.00 25.44 H new ATOM 0 HG22 THR A 97 1.117 14.729 -8.710 1.00 25.44 H new ATOM 0 HG23 THR A 97 0.444 14.778 -7.064 1.00 25.44 H new ATOM 1526 N GLY A 98 2.211 11.981 -7.998 1.00 12.03 N ATOM 1527 CA GLY A 98 2.036 11.048 -9.080 1.00 12.13 C ATOM 1528 C GLY A 98 3.180 10.072 -9.151 1.00 75.43 C ATOM 1529 O GLY A 98 3.681 9.766 -10.232 1.00 62.44 O ATOM 0 H GLY A 98 1.741 11.722 -7.130 1.00 12.03 H new ATOM 0 HA2 GLY A 98 1.100 10.505 -8.947 1.00 12.13 H new ATOM 0 HA3 GLY A 98 1.959 11.591 -10.022 1.00 12.13 H new ATOM 1533 N GLU A 99 3.605 9.590 -8.003 1.00 15.13 N ATOM 1534 CA GLU A 99 4.714 8.663 -7.940 1.00 53.12 C ATOM 1535 C GLU A 99 4.350 7.435 -7.118 1.00 22.24 C ATOM 1536 O GLU A 99 3.554 7.518 -6.179 1.00 74.42 O ATOM 1537 CB GLU A 99 5.941 9.356 -7.347 1.00 30.24 C ATOM 1538 CG GLU A 99 7.212 8.536 -7.423 1.00 43.45 C ATOM 1539 CD GLU A 99 7.525 8.114 -8.836 1.00 21.10 C ATOM 1540 OE1 GLU A 99 8.222 8.861 -9.540 1.00 42.44 O ATOM 1541 OE2 GLU A 99 7.061 7.035 -9.250 1.00 71.51 O ATOM 0 H GLU A 99 3.198 9.826 -7.098 1.00 15.13 H new ATOM 0 HA GLU A 99 4.947 8.334 -8.953 1.00 53.12 H new ATOM 0 HB2 GLU A 99 6.099 10.300 -7.868 1.00 30.24 H new ATOM 0 HB3 GLU A 99 5.739 9.598 -6.303 1.00 30.24 H new ATOM 0 HG2 GLU A 99 8.044 9.118 -7.025 1.00 43.45 H new ATOM 0 HG3 GLU A 99 7.112 7.652 -6.794 1.00 43.45 H new ATOM 1548 N MET A 100 4.935 6.307 -7.471 1.00 51.25 N ATOM 1549 CA MET A 100 4.685 5.062 -6.776 1.00 71.42 C ATOM 1550 C MET A 100 6.002 4.443 -6.329 1.00 20.05 C ATOM 1551 O MET A 100 6.976 4.425 -7.082 1.00 65.45 O ATOM 1552 CB MET A 100 3.912 4.090 -7.676 1.00 60.52 C ATOM 1553 CG MET A 100 3.590 2.755 -7.018 1.00 12.12 C ATOM 1554 SD MET A 100 2.558 1.694 -8.053 1.00 64.54 S ATOM 1555 CE MET A 100 3.578 1.543 -9.517 1.00 44.32 C ATOM 0 H MET A 100 5.595 6.229 -8.245 1.00 51.25 H new ATOM 0 HA MET A 100 4.077 5.267 -5.895 1.00 71.42 H new ATOM 0 HB2 MET A 100 2.981 4.563 -7.988 1.00 60.52 H new ATOM 0 HB3 MET A 100 4.494 3.907 -8.579 1.00 60.52 H new ATOM 0 HG2 MET A 100 4.520 2.236 -6.787 1.00 12.12 H new ATOM 0 HG3 MET A 100 3.082 2.935 -6.071 1.00 12.12 H new ATOM 0 HE1 MET A 100 3.213 0.720 -10.131 1.00 44.32 H new ATOM 0 HE2 MET A 100 3.533 2.470 -10.089 1.00 44.32 H new ATOM 0 HE3 MET A 100 4.609 1.348 -9.223 1.00 44.32 H new ATOM 1565 N SER A 101 6.030 3.950 -5.105 1.00 51.31 N ATOM 1566 CA SER A 101 7.227 3.347 -4.545 1.00 0.45 C ATOM 1567 C SER A 101 7.285 1.860 -4.869 1.00 52.32 C ATOM 1568 O SER A 101 6.454 1.340 -5.623 1.00 72.11 O ATOM 1569 CB SER A 101 7.230 3.530 -3.029 1.00 55.43 C ATOM 1570 OG SER A 101 6.078 2.932 -2.451 1.00 5.21 O ATOM 0 H SER A 101 5.229 3.955 -4.473 1.00 51.31 H new ATOM 0 HA SER A 101 8.097 3.837 -4.983 1.00 0.45 H new ATOM 0 HB2 SER A 101 8.130 3.084 -2.605 1.00 55.43 H new ATOM 0 HB3 SER A 101 7.256 4.592 -2.785 1.00 55.43 H new ATOM 0 HG SER A 101 6.326 2.484 -1.615 1.00 5.21 H new ATOM 1576 N GLY A 102 8.276 1.188 -4.310 1.00 73.04 N ATOM 1577 CA GLY A 102 8.377 -0.239 -4.464 1.00 24.44 C ATOM 1578 C GLY A 102 7.670 -0.955 -3.328 1.00 21.00 C ATOM 1579 O GLY A 102 6.911 -0.328 -2.581 1.00 72.52 O ATOM 0 H GLY A 102 9.015 1.612 -3.749 1.00 73.04 H new ATOM 0 HA2 GLY A 102 7.940 -0.538 -5.417 1.00 24.44 H new ATOM 0 HA3 GLY A 102 9.426 -0.533 -4.488 1.00 24.44 H new ATOM 1583 N PRO A 103 7.896 -2.261 -3.164 1.00 50.44 N ATOM 1584 CA PRO A 103 7.266 -3.037 -2.093 1.00 50.53 C ATOM 1585 C PRO A 103 7.849 -2.704 -0.715 1.00 43.33 C ATOM 1586 O PRO A 103 9.035 -2.925 -0.460 1.00 40.23 O ATOM 1587 CB PRO A 103 7.579 -4.487 -2.474 1.00 2.13 C ATOM 1588 CG PRO A 103 8.827 -4.408 -3.287 1.00 25.04 C ATOM 1589 CD PRO A 103 8.776 -3.090 -4.011 1.00 62.45 C ATOM 0 HA PRO A 103 6.200 -2.827 -2.008 1.00 50.53 H new ATOM 0 HB2 PRO A 103 7.723 -5.106 -1.589 1.00 2.13 H new ATOM 0 HB3 PRO A 103 6.763 -4.931 -3.044 1.00 2.13 H new ATOM 0 HG2 PRO A 103 9.710 -4.468 -2.651 1.00 25.04 H new ATOM 0 HG3 PRO A 103 8.885 -5.237 -3.992 1.00 25.04 H new ATOM 0 HD2 PRO A 103 9.768 -2.649 -4.111 1.00 62.45 H new ATOM 0 HD3 PRO A 103 8.374 -3.201 -5.018 1.00 62.45 H new ATOM 1597 N VAL A 104 7.019 -2.155 0.157 1.00 12.14 N ATOM 1598 CA VAL A 104 7.445 -1.813 1.509 1.00 65.01 C ATOM 1599 C VAL A 104 7.111 -2.954 2.468 1.00 53.05 C ATOM 1600 O VAL A 104 5.938 -3.267 2.689 1.00 45.43 O ATOM 1601 CB VAL A 104 6.768 -0.511 2.002 1.00 72.21 C ATOM 1602 CG1 VAL A 104 7.263 -0.136 3.392 1.00 35.23 C ATOM 1603 CG2 VAL A 104 7.016 0.627 1.019 1.00 54.04 C ATOM 0 H VAL A 104 6.044 -1.935 -0.046 1.00 12.14 H new ATOM 0 HA VAL A 104 8.523 -1.653 1.487 1.00 65.01 H new ATOM 0 HB VAL A 104 5.694 -0.687 2.061 1.00 72.21 H new ATOM 0 HG11 VAL A 104 6.773 0.782 3.717 1.00 35.23 H new ATOM 0 HG12 VAL A 104 7.029 -0.939 4.091 1.00 35.23 H new ATOM 0 HG13 VAL A 104 8.342 0.018 3.365 1.00 35.23 H new ATOM 0 HG21 VAL A 104 6.532 1.534 1.383 1.00 54.04 H new ATOM 0 HG22 VAL A 104 8.088 0.800 0.926 1.00 54.04 H new ATOM 0 HG23 VAL A 104 6.605 0.362 0.045 1.00 54.04 H new ATOM 1613 N PHE A 105 8.139 -3.568 3.031 1.00 0.43 N ATOM 1614 CA PHE A 105 7.963 -4.709 3.921 1.00 23.35 C ATOM 1615 C PHE A 105 7.801 -4.271 5.374 1.00 25.12 C ATOM 1616 O PHE A 105 8.724 -3.714 5.973 1.00 32.32 O ATOM 1617 CB PHE A 105 9.155 -5.666 3.809 1.00 63.50 C ATOM 1618 CG PHE A 105 9.371 -6.228 2.433 1.00 52.31 C ATOM 1619 CD1 PHE A 105 8.753 -7.403 2.045 1.00 22.30 C ATOM 1620 CD2 PHE A 105 10.202 -5.584 1.528 1.00 14.33 C ATOM 1621 CE1 PHE A 105 8.956 -7.924 0.783 1.00 3.21 C ATOM 1622 CE2 PHE A 105 10.410 -6.101 0.268 1.00 55.03 C ATOM 1623 CZ PHE A 105 9.787 -7.272 -0.106 1.00 41.21 C ATOM 0 H PHE A 105 9.111 -3.295 2.887 1.00 0.43 H new ATOM 0 HA PHE A 105 7.052 -5.221 3.612 1.00 23.35 H new ATOM 0 HB2 PHE A 105 10.058 -5.140 4.120 1.00 63.50 H new ATOM 0 HB3 PHE A 105 9.010 -6.491 4.507 1.00 63.50 H new ATOM 0 HD1 PHE A 105 8.104 -7.919 2.737 1.00 22.30 H new ATOM 0 HD2 PHE A 105 10.692 -4.665 1.815 1.00 14.33 H new ATOM 0 HE1 PHE A 105 8.465 -8.841 0.491 1.00 3.21 H new ATOM 0 HE2 PHE A 105 11.060 -5.589 -0.426 1.00 55.03 H new ATOM 0 HZ PHE A 105 9.949 -7.679 -1.093 1.00 41.21 H new ATOM 1633 N THR A 106 6.634 -4.524 5.934 1.00 42.51 N ATOM 1634 CA THR A 106 6.372 -4.215 7.329 1.00 41.51 C ATOM 1635 C THR A 106 5.832 -5.450 8.038 1.00 23.12 C ATOM 1636 O THR A 106 5.557 -6.470 7.395 1.00 75.41 O ATOM 1637 CB THR A 106 5.364 -3.050 7.489 1.00 4.23 C ATOM 1638 OG1 THR A 106 4.122 -3.375 6.848 1.00 53.21 O ATOM 1639 CG2 THR A 106 5.919 -1.759 6.900 1.00 14.31 C ATOM 0 H THR A 106 5.846 -4.946 5.442 1.00 42.51 H new ATOM 0 HA THR A 106 7.316 -3.904 7.777 1.00 41.51 H new ATOM 0 HB THR A 106 5.194 -2.900 8.555 1.00 4.23 H new ATOM 0 HG1 THR A 106 4.258 -4.126 6.234 1.00 53.21 H new ATOM 0 HG21 THR A 106 5.190 -0.958 7.027 1.00 14.31 H new ATOM 0 HG22 THR A 106 6.843 -1.493 7.413 1.00 14.31 H new ATOM 0 HG23 THR A 106 6.121 -1.901 5.838 1.00 14.31 H new ATOM 1647 N ASP A 107 5.664 -5.356 9.347 1.00 31.42 N ATOM 1648 CA ASP A 107 5.146 -6.472 10.138 1.00 45.40 C ATOM 1649 C ASP A 107 3.715 -6.806 9.738 1.00 50.22 C ATOM 1650 O ASP A 107 3.307 -7.965 9.761 1.00 62.21 O ATOM 1651 CB ASP A 107 5.222 -6.161 11.644 1.00 34.10 C ATOM 1652 CG ASP A 107 4.386 -4.963 12.061 1.00 14.14 C ATOM 1653 OD1 ASP A 107 4.885 -3.821 11.956 1.00 44.54 O ATOM 1654 OD2 ASP A 107 3.230 -5.157 12.509 1.00 34.24 O ATOM 0 H ASP A 107 5.878 -4.519 9.889 1.00 31.42 H new ATOM 0 HA ASP A 107 5.771 -7.341 9.934 1.00 45.40 H new ATOM 0 HB2 ASP A 107 4.892 -7.036 12.204 1.00 34.10 H new ATOM 0 HB3 ASP A 107 6.262 -5.981 11.917 1.00 34.10 H new ATOM 1659 N SER A 108 2.972 -5.792 9.334 1.00 35.43 N ATOM 1660 CA SER A 108 1.585 -5.965 8.943 1.00 62.54 C ATOM 1661 C SER A 108 1.471 -6.511 7.516 1.00 32.53 C ATOM 1662 O SER A 108 0.374 -6.819 7.046 1.00 21.21 O ATOM 1663 CB SER A 108 0.857 -4.634 9.053 1.00 61.23 C ATOM 1664 OG SER A 108 1.122 -4.022 10.303 1.00 33.14 O ATOM 0 H SER A 108 3.310 -4.832 9.268 1.00 35.43 H new ATOM 0 HA SER A 108 1.127 -6.691 9.614 1.00 62.54 H new ATOM 0 HB2 SER A 108 1.171 -3.974 8.245 1.00 61.23 H new ATOM 0 HB3 SER A 108 -0.216 -4.790 8.938 1.00 61.23 H new ATOM 0 HG SER A 108 0.647 -3.166 10.356 1.00 33.14 H new ATOM 1670 N GLY A 109 2.602 -6.629 6.836 1.00 41.44 N ATOM 1671 CA GLY A 109 2.605 -7.122 5.479 1.00 5.31 C ATOM 1672 C GLY A 109 3.327 -6.187 4.540 1.00 14.23 C ATOM 1673 O GLY A 109 4.094 -5.325 4.980 1.00 1.43 O ATOM 0 H GLY A 109 3.522 -6.390 7.205 1.00 41.44 H new ATOM 0 HA2 GLY A 109 3.080 -8.103 5.451 1.00 5.31 H new ATOM 0 HA3 GLY A 109 1.578 -7.255 5.139 1.00 5.31 H new ATOM 1677 N ILE A 110 3.080 -6.338 3.258 1.00 3.24 N ATOM 1678 CA ILE A 110 3.723 -5.505 2.257 1.00 23.31 C ATOM 1679 C ILE A 110 2.791 -4.375 1.832 1.00 50.13 C ATOM 1680 O ILE A 110 1.615 -4.606 1.542 1.00 72.52 O ATOM 1681 CB ILE A 110 4.138 -6.330 1.018 1.00 43.20 C ATOM 1682 CG1 ILE A 110 4.969 -7.546 1.447 1.00 2.54 C ATOM 1683 CG2 ILE A 110 4.928 -5.462 0.041 1.00 63.13 C ATOM 1684 CD1 ILE A 110 5.339 -8.469 0.307 1.00 35.12 C ATOM 0 H ILE A 110 2.436 -7.032 2.879 1.00 3.24 H new ATOM 0 HA ILE A 110 4.623 -5.085 2.705 1.00 23.31 H new ATOM 0 HB ILE A 110 3.238 -6.683 0.515 1.00 43.20 H new ATOM 0 HG12 ILE A 110 5.882 -7.198 1.930 1.00 2.54 H new ATOM 0 HG13 ILE A 110 4.410 -8.111 2.192 1.00 2.54 H new ATOM 0 HG21 ILE A 110 5.213 -6.058 -0.826 1.00 63.13 H new ATOM 0 HG22 ILE A 110 4.311 -4.623 -0.282 1.00 63.13 H new ATOM 0 HG23 ILE A 110 5.825 -5.085 0.533 1.00 63.13 H new ATOM 0 HD11 ILE A 110 5.925 -9.304 0.691 1.00 35.12 H new ATOM 0 HD12 ILE A 110 4.432 -8.848 -0.163 1.00 35.12 H new ATOM 0 HD13 ILE A 110 5.927 -7.921 -0.429 1.00 35.12 H new ATOM 1696 N HIS A 111 3.312 -3.160 1.818 1.00 41.43 N ATOM 1697 CA HIS A 111 2.528 -1.991 1.439 1.00 4.24 C ATOM 1698 C HIS A 111 2.970 -1.444 0.096 1.00 14.44 C ATOM 1699 O HIS A 111 4.145 -1.534 -0.268 1.00 52.11 O ATOM 1700 CB HIS A 111 2.661 -0.867 2.477 1.00 20.44 C ATOM 1701 CG HIS A 111 2.014 -1.124 3.800 1.00 73.20 C ATOM 1702 ND1 HIS A 111 0.731 -0.728 4.101 1.00 34.53 N ATOM 1703 CD2 HIS A 111 2.499 -1.692 4.922 1.00 34.11 C ATOM 1704 CE1 HIS A 111 0.459 -1.035 5.351 1.00 75.25 C ATOM 1705 NE2 HIS A 111 1.515 -1.622 5.878 1.00 35.31 N ATOM 0 H HIS A 111 4.280 -2.954 2.066 1.00 41.43 H new ATOM 0 HA HIS A 111 1.490 -2.320 1.382 1.00 4.24 H new ATOM 0 HB2 HIS A 111 3.721 -0.675 2.643 1.00 20.44 H new ATOM 0 HB3 HIS A 111 2.234 0.043 2.056 1.00 20.44 H new ATOM 0 HD1 HIS A 111 0.090 -0.268 3.455 1.00 34.53 H new ATOM 0 HD2 HIS A 111 3.481 -2.123 5.047 1.00 34.11 H new ATOM 0 HE1 HIS A 111 -0.473 -0.839 5.860 1.00 75.25 H new ATOM 1714 N ILE A 112 2.021 -0.886 -0.631 1.00 33.23 N ATOM 1715 CA ILE A 112 2.300 -0.186 -1.871 1.00 4.10 C ATOM 1716 C ILE A 112 1.922 1.271 -1.673 1.00 24.12 C ATOM 1717 O ILE A 112 0.889 1.566 -1.056 1.00 1.15 O ATOM 1718 CB ILE A 112 1.494 -0.750 -3.064 1.00 14.14 C ATOM 1719 CG1 ILE A 112 1.652 -2.272 -3.159 1.00 63.23 C ATOM 1720 CG2 ILE A 112 1.937 -0.086 -4.367 1.00 32.15 C ATOM 1721 CD1 ILE A 112 0.870 -2.898 -4.300 1.00 35.24 C ATOM 0 H ILE A 112 1.033 -0.905 -0.378 1.00 33.23 H new ATOM 0 HA ILE A 112 3.357 -0.310 -2.105 1.00 4.10 H new ATOM 0 HB ILE A 112 0.440 -0.527 -2.899 1.00 14.14 H new ATOM 0 HG12 ILE A 112 2.708 -2.512 -3.280 1.00 63.23 H new ATOM 0 HG13 ILE A 112 1.329 -2.721 -2.220 1.00 63.23 H new ATOM 0 HG21 ILE A 112 1.360 -0.494 -5.197 1.00 32.15 H new ATOM 0 HG22 ILE A 112 1.770 0.989 -4.303 1.00 32.15 H new ATOM 0 HG23 ILE A 112 2.997 -0.279 -4.532 1.00 32.15 H new ATOM 0 HD11 ILE A 112 1.031 -3.976 -4.303 1.00 35.24 H new ATOM 0 HD12 ILE A 112 -0.192 -2.690 -4.170 1.00 35.24 H new ATOM 0 HD13 ILE A 112 1.209 -2.478 -5.247 1.00 35.24 H new ATOM 1733 N ILE A 113 2.742 2.173 -2.163 1.00 74.11 N ATOM 1734 CA ILE A 113 2.502 3.586 -1.975 1.00 54.32 C ATOM 1735 C ILE A 113 2.315 4.299 -3.300 1.00 54.42 C ATOM 1736 O ILE A 113 3.220 4.327 -4.133 1.00 0.23 O ATOM 1737 CB ILE A 113 3.674 4.248 -1.234 1.00 71.40 C ATOM 1738 CG1 ILE A 113 3.960 3.520 0.075 1.00 63.43 C ATOM 1739 CG2 ILE A 113 3.384 5.723 -0.980 1.00 33.05 C ATOM 1740 CD1 ILE A 113 5.192 4.016 0.789 1.00 4.35 C ATOM 0 H ILE A 113 3.583 1.953 -2.696 1.00 74.11 H new ATOM 0 HA ILE A 113 1.590 3.673 -1.384 1.00 54.32 H new ATOM 0 HB ILE A 113 4.561 4.179 -1.863 1.00 71.40 H new ATOM 0 HG12 ILE A 113 3.100 3.628 0.736 1.00 63.43 H new ATOM 0 HG13 ILE A 113 4.073 2.455 -0.129 1.00 63.43 H new ATOM 0 HG21 ILE A 113 4.226 6.174 -0.454 1.00 33.05 H new ATOM 0 HG22 ILE A 113 3.235 6.234 -1.931 1.00 33.05 H new ATOM 0 HG23 ILE A 113 2.484 5.817 -0.372 1.00 33.05 H new ATOM 0 HD11 ILE A 113 5.330 3.451 1.711 1.00 4.35 H new ATOM 0 HD12 ILE A 113 6.063 3.883 0.147 1.00 4.35 H new ATOM 0 HD13 ILE A 113 5.074 5.073 1.026 1.00 4.35 H new ATOM 1752 N LEU A 114 1.145 4.863 -3.492 1.00 51.03 N ATOM 1753 CA LEU A 114 0.861 5.643 -4.677 1.00 1.42 C ATOM 1754 C LEU A 114 0.520 7.065 -4.265 1.00 51.13 C ATOM 1755 O LEU A 114 -0.598 7.344 -3.831 1.00 11.13 O ATOM 1756 CB LEU A 114 -0.291 5.020 -5.477 1.00 30.44 C ATOM 1757 CG LEU A 114 -0.686 5.755 -6.764 1.00 45.15 C ATOM 1758 CD1 LEU A 114 0.467 5.764 -7.756 1.00 21.45 C ATOM 1759 CD2 LEU A 114 -1.921 5.121 -7.383 1.00 10.33 C ATOM 0 H LEU A 114 0.367 4.796 -2.836 1.00 51.03 H new ATOM 0 HA LEU A 114 1.741 5.653 -5.320 1.00 1.42 H new ATOM 0 HB2 LEU A 114 -0.017 3.997 -5.735 1.00 30.44 H new ATOM 0 HB3 LEU A 114 -1.167 4.962 -4.831 1.00 30.44 H new ATOM 0 HG LEU A 114 -0.922 6.788 -6.508 1.00 45.15 H new ATOM 0 HD11 LEU A 114 0.164 6.290 -8.661 1.00 21.45 H new ATOM 0 HD12 LEU A 114 1.325 6.269 -7.312 1.00 21.45 H new ATOM 0 HD13 LEU A 114 0.739 4.739 -8.007 1.00 21.45 H new ATOM 0 HD21 LEU A 114 -2.186 5.656 -8.295 1.00 10.33 H new ATOM 0 HD22 LEU A 114 -1.714 4.078 -7.621 1.00 10.33 H new ATOM 0 HD23 LEU A 114 -2.750 5.174 -6.677 1.00 10.33 H new ATOM 1771 N ARG A 115 1.487 7.954 -4.370 1.00 42.12 N ATOM 1772 CA ARG A 115 1.296 9.332 -3.963 1.00 24.11 C ATOM 1773 C ARG A 115 0.510 10.100 -5.008 1.00 70.22 C ATOM 1774 O ARG A 115 0.991 10.342 -6.112 1.00 61.24 O ATOM 1775 CB ARG A 115 2.637 10.011 -3.687 1.00 31.34 C ATOM 1776 CG ARG A 115 2.515 11.481 -3.314 1.00 34.41 C ATOM 1777 CD ARG A 115 3.839 12.034 -2.836 1.00 2.24 C ATOM 1778 NE ARG A 115 3.820 13.489 -2.707 1.00 71.03 N ATOM 1779 CZ ARG A 115 4.792 14.197 -2.134 1.00 12.43 C ATOM 1780 NH1 ARG A 115 5.794 13.578 -1.510 1.00 64.34 N ATOM 1781 NH2 ARG A 115 4.750 15.523 -2.153 1.00 5.32 N ATOM 0 H ARG A 115 2.416 7.746 -4.735 1.00 42.12 H new ATOM 0 HA ARG A 115 0.720 9.332 -3.037 1.00 24.11 H new ATOM 0 HB2 ARG A 115 3.142 9.481 -2.879 1.00 31.34 H new ATOM 0 HB3 ARG A 115 3.268 9.921 -4.571 1.00 31.34 H new ATOM 0 HG2 ARG A 115 2.170 12.051 -4.177 1.00 34.41 H new ATOM 0 HG3 ARG A 115 1.764 11.600 -2.533 1.00 34.41 H new ATOM 0 HD2 ARG A 115 4.089 11.590 -1.873 1.00 2.24 H new ATOM 0 HD3 ARG A 115 4.624 11.744 -3.534 1.00 2.24 H new ATOM 0 HE ARG A 115 3.014 13.993 -3.078 1.00 71.03 H new ATOM 0 HH11 ARG A 115 5.818 12.559 -1.470 1.00 64.34 H new ATOM 0 HH12 ARG A 115 6.537 14.123 -1.072 1.00 64.34 H new ATOM 0 HH21 ARG A 115 3.972 16.002 -2.607 1.00 5.32 H new ATOM 0 HH22 ARG A 115 5.495 16.063 -1.714 1.00 5.32 H new ATOM 1795 N THR A 116 -0.695 10.476 -4.644 1.00 73.21 N ATOM 1796 CA THR A 116 -1.573 11.197 -5.525 1.00 74.53 C ATOM 1797 C THR A 116 -1.163 12.671 -5.602 1.00 40.04 C ATOM 1798 O THR A 116 -1.010 13.222 -6.690 1.00 33.53 O ATOM 1799 CB THR A 116 -3.025 11.089 -5.028 1.00 62.02 C ATOM 1800 OG1 THR A 116 -3.289 9.732 -4.629 1.00 35.35 O ATOM 1801 CG2 THR A 116 -4.004 11.491 -6.123 1.00 74.23 C ATOM 0 H THR A 116 -1.091 10.287 -3.723 1.00 73.21 H new ATOM 0 HA THR A 116 -1.499 10.758 -6.520 1.00 74.53 H new ATOM 0 HB THR A 116 -3.155 11.763 -4.181 1.00 62.02 H new ATOM 0 HG1 THR A 116 -4.183 9.676 -4.232 1.00 35.35 H new ATOM 0 HG21 THR A 116 -5.024 11.407 -5.748 1.00 74.23 H new ATOM 0 HG22 THR A 116 -3.812 12.521 -6.423 1.00 74.23 H new ATOM 0 HG23 THR A 116 -3.878 10.833 -6.983 1.00 74.23 H new ATOM 1809 N GLU A 117 -0.962 13.291 -4.440 1.00 14.51 N ATOM 1810 CA GLU A 117 -0.583 14.698 -4.367 1.00 1.13 C ATOM 1811 C GLU A 117 0.550 14.894 -3.363 1.00 3.42 C ATOM 1812 O GLU A 117 0.259 15.069 -2.155 1.00 0.00 O ATOM 1813 CB GLU A 117 -1.787 15.573 -3.975 1.00 53.01 C ATOM 1814 CG GLU A 117 -2.941 15.541 -4.969 1.00 21.00 C ATOM 1815 CD GLU A 117 -4.156 16.294 -4.470 1.00 65.25 C ATOM 1816 OE1 GLU A 117 -4.014 17.472 -4.078 1.00 31.04 O ATOM 1817 OE2 GLU A 117 -5.261 15.707 -4.452 1.00 20.12 O ATOM 1818 OXT GLU A 117 1.730 14.870 -3.785 1.00 0.00 O ATOM 0 H GLU A 117 -1.057 12.836 -3.532 1.00 14.51 H new ATOM 0 HA GLU A 117 -0.240 15.004 -5.355 1.00 1.13 H new ATOM 0 HB2 GLU A 117 -2.154 15.249 -3.001 1.00 53.01 H new ATOM 0 HB3 GLU A 117 -1.450 16.603 -3.862 1.00 53.01 H new ATOM 0 HG2 GLU A 117 -2.614 15.972 -5.915 1.00 21.00 H new ATOM 0 HG3 GLU A 117 -3.216 14.505 -5.169 1.00 21.00 H new