USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 MET CE :methyl 146:sc= -5.56! (180deg=-7.11!) USER MOD Set 1.2: A 90 MET CE :methyl 152:sc= -8.17! (180deg=-16.5!) USER MOD Set 2.1: A 66 MET CE :methyl -122:sc= -0.435 (180deg=-2.08!) USER MOD Set 2.2: A 71 MET CE :methyl 161:sc= -0.33 (180deg=-1.07) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -174:sc= 0.128 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0459 K(o=-0.046,f=-2.6!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 30 TYR OH : rot 141:sc= -0.243 USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 0.1 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.29 K(o=-2.3,f=-4!) USER MOD Single : A 46 MET CE :methyl -113:sc= -0.587 (180deg=-4.15!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 49:sc= 0.395 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 76 THR OG1 : rot -76:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.24) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0158 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 10.344 -3.472 -1.313 1.00 74.23 N ATOM 49 CA LYS A 4 11.484 -4.084 -1.983 1.00 53.11 C ATOM 50 C LYS A 4 11.268 -5.582 -2.169 1.00 23.13 C ATOM 51 O LYS A 4 11.272 -6.085 -3.293 1.00 33.14 O ATOM 52 CB LYS A 4 12.765 -3.839 -1.182 1.00 4.34 C ATOM 53 CG LYS A 4 13.818 -3.052 -1.943 1.00 14.11 C ATOM 54 CD LYS A 4 14.408 -1.941 -1.091 1.00 62.11 C ATOM 55 CE LYS A 4 13.516 -0.708 -1.087 1.00 4.50 C ATOM 56 NZ LYS A 4 13.990 0.321 -2.053 1.00 25.42 N1+ ATOM 0 HA LYS A 4 11.583 -3.625 -2.966 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.514 -3.303 -0.267 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.186 -4.799 -0.884 1.00 4.34 H new ATOM 0 HG2 LYS A 4 14.613 -3.724 -2.267 1.00 14.11 H new ATOM 0 HG3 LYS A 4 13.375 -2.625 -2.843 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.543 -2.297 -0.070 1.00 62.11 H new ATOM 0 HD3 LYS A 4 15.395 -1.676 -1.469 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.495 -0.997 -1.336 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.491 -0.281 -0.084 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 13.357 1.145 -2.021 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.955 0.616 -1.801 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 13.990 -0.078 -3.013 1.00 25.42 H new ATOM 70 N SER A 5 11.075 -6.290 -1.061 1.00 45.41 N ATOM 71 CA SER A 5 10.859 -7.731 -1.102 1.00 45.22 C ATOM 72 C SER A 5 9.864 -8.100 -2.198 1.00 54.53 C ATOM 73 O SER A 5 9.940 -9.181 -2.783 1.00 44.30 O ATOM 74 CB SER A 5 10.352 -8.231 0.251 1.00 53.55 C ATOM 75 OG SER A 5 9.310 -7.404 0.742 1.00 22.21 O ATOM 0 H SER A 5 11.064 -5.889 -0.123 1.00 45.41 H new ATOM 0 HA SER A 5 11.813 -8.210 -1.324 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.992 -9.255 0.152 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.174 -8.250 0.967 1.00 53.55 H new ATOM 0 HG SER A 5 9.071 -7.684 1.650 1.00 22.21 H new ATOM 81 N ASP A 6 8.932 -7.193 -2.472 1.00 52.44 N ATOM 82 CA ASP A 6 7.922 -7.421 -3.499 1.00 71.01 C ATOM 83 C ASP A 6 8.572 -7.782 -4.831 1.00 21.35 C ATOM 84 O ASP A 6 8.211 -8.777 -5.457 1.00 22.51 O ATOM 85 CB ASP A 6 7.044 -6.179 -3.666 1.00 22.02 C ATOM 86 CG ASP A 6 5.644 -6.518 -4.138 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.519 -7.263 -5.132 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.675 -6.038 -3.514 1.00 43.34 O ATOM 0 H ASP A 6 8.855 -6.293 -1.997 1.00 52.44 H new ATOM 0 HA ASP A 6 7.299 -8.257 -3.181 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.985 -5.649 -2.715 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.511 -5.501 -4.381 1.00 22.02 H new ATOM 93 N GLU A 7 9.532 -6.965 -5.256 1.00 34.23 N ATOM 94 CA GLU A 7 10.229 -7.199 -6.514 1.00 34.02 C ATOM 95 C GLU A 7 10.761 -8.627 -6.585 1.00 65.44 C ATOM 96 O GLU A 7 10.753 -9.254 -7.645 1.00 4.31 O ATOM 97 CB GLU A 7 11.382 -6.205 -6.675 1.00 60.23 C ATOM 98 CG GLU A 7 11.493 -5.624 -8.075 1.00 53.31 C ATOM 99 CD GLU A 7 10.663 -4.368 -8.252 1.00 52.50 C ATOM 100 OE1 GLU A 7 10.746 -3.473 -7.385 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 9.929 -4.280 -9.259 1.00 42.03 O ATOM 0 H GLU A 7 9.843 -6.137 -4.748 1.00 34.23 H new ATOM 0 HA GLU A 7 9.517 -7.055 -7.327 1.00 34.02 H new ATOM 0 HB2 GLU A 7 11.251 -5.391 -5.962 1.00 60.23 H new ATOM 0 HB3 GLU A 7 12.318 -6.703 -6.422 1.00 60.23 H new ATOM 0 HG2 GLU A 7 12.538 -5.398 -8.289 1.00 53.31 H new ATOM 0 HG3 GLU A 7 11.174 -6.372 -8.801 1.00 53.31 H new ATOM 108 N VAL A 8 11.224 -9.137 -5.448 1.00 74.30 N ATOM 109 CA VAL A 8 11.760 -10.491 -5.378 1.00 35.34 C ATOM 110 C VAL A 8 10.695 -11.522 -5.734 1.00 41.31 C ATOM 111 O VAL A 8 10.891 -12.354 -6.621 1.00 60.20 O ATOM 112 CB VAL A 8 12.315 -10.805 -3.976 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.841 -12.231 -3.916 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.401 -9.810 -3.598 1.00 74.14 C ATOM 0 H VAL A 8 11.239 -8.632 -4.562 1.00 74.30 H new ATOM 0 HA VAL A 8 12.573 -10.547 -6.102 1.00 35.34 H new ATOM 0 HB VAL A 8 11.503 -10.713 -3.254 1.00 62.21 H new ATOM 0 HG11 VAL A 8 13.229 -12.434 -2.918 1.00 15.23 H new ATOM 0 HG12 VAL A 8 12.032 -12.927 -4.140 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.639 -12.355 -4.648 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.782 -10.047 -2.605 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.214 -9.867 -4.321 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.986 -8.802 -3.597 1.00 74.14 H new ATOM 124 N PHE A 9 9.565 -11.462 -5.037 1.00 5.40 N ATOM 125 CA PHE A 9 8.467 -12.391 -5.279 1.00 4.42 C ATOM 126 C PHE A 9 8.160 -12.494 -6.770 1.00 14.12 C ATOM 127 O PHE A 9 7.975 -13.589 -7.302 1.00 72.03 O ATOM 128 CB PHE A 9 7.216 -11.944 -4.519 1.00 14.30 C ATOM 129 CG PHE A 9 7.381 -11.965 -3.026 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.969 -13.052 -2.397 1.00 71.40 C ATOM 131 CD2 PHE A 9 6.951 -10.900 -2.254 1.00 64.03 C ATOM 132 CE1 PHE A 9 8.122 -13.074 -1.024 1.00 70.23 C ATOM 133 CE2 PHE A 9 7.101 -10.917 -0.879 1.00 45.45 C ATOM 134 CZ PHE A 9 7.688 -12.004 -0.264 1.00 3.11 C ATOM 0 H PHE A 9 9.386 -10.780 -4.300 1.00 5.40 H new ATOM 0 HA PHE A 9 8.770 -13.374 -4.920 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.952 -10.934 -4.833 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.383 -12.592 -4.793 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.311 -13.890 -2.986 1.00 71.40 H new ATOM 0 HD2 PHE A 9 6.493 -10.046 -2.731 1.00 64.03 H new ATOM 0 HE1 PHE A 9 8.580 -13.927 -0.545 1.00 70.23 H new ATOM 0 HE2 PHE A 9 6.759 -10.081 -0.287 1.00 45.45 H new ATOM 0 HZ PHE A 9 7.808 -12.019 0.809 1.00 3.11 H new ATOM 144 N ALA A 10 8.107 -11.347 -7.438 1.00 54.15 N ATOM 145 CA ALA A 10 7.825 -11.307 -8.867 1.00 71.40 C ATOM 146 C ALA A 10 8.854 -12.113 -9.653 1.00 23.42 C ATOM 147 O ALA A 10 8.504 -12.895 -10.536 1.00 32.34 O ATOM 148 CB ALA A 10 7.791 -9.867 -9.359 1.00 11.12 C ATOM 0 H ALA A 10 8.256 -10.432 -7.012 1.00 54.15 H new ATOM 0 HA ALA A 10 6.847 -11.758 -9.031 1.00 71.40 H new ATOM 0 HB1 ALA A 10 7.579 -9.853 -10.428 1.00 11.12 H new ATOM 0 HB2 ALA A 10 7.013 -9.319 -8.828 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.757 -9.396 -9.174 1.00 11.12 H new ATOM 154 N LYS A 11 10.127 -11.915 -9.327 1.00 53.04 N ATOM 155 CA LYS A 11 11.209 -12.623 -10.001 1.00 71.11 C ATOM 156 C LYS A 11 11.134 -14.121 -9.726 1.00 34.23 C ATOM 157 O LYS A 11 11.112 -14.932 -10.653 1.00 35.32 O ATOM 158 CB LYS A 11 12.565 -12.077 -9.546 1.00 75.32 C ATOM 159 CG LYS A 11 12.791 -10.622 -9.918 1.00 51.04 C ATOM 160 CD LYS A 11 13.029 -10.459 -11.409 1.00 31.12 C ATOM 161 CE LYS A 11 11.814 -9.867 -12.107 1.00 2.51 C ATOM 162 NZ LYS A 11 12.001 -8.423 -12.417 1.00 32.05 N1+ ATOM 0 H LYS A 11 10.435 -11.270 -8.600 1.00 53.04 H new ATOM 0 HA LYS A 11 11.101 -12.463 -11.074 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.646 -12.183 -8.464 1.00 75.32 H new ATOM 0 HB3 LYS A 11 13.357 -12.683 -9.986 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.925 -10.031 -9.620 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.648 -10.233 -9.367 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.893 -9.815 -11.572 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.266 -11.428 -11.849 1.00 31.12 H new ATOM 0 HE2 LYS A 11 11.623 -10.415 -13.030 1.00 2.51 H new ATOM 0 HE3 LYS A 11 10.935 -9.992 -11.474 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 11.151 -8.057 -12.892 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.158 -7.896 -11.534 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 12.824 -8.306 -13.042 1.00 32.05 H new ATOM 176 N ILE A 12 11.091 -14.482 -8.448 1.00 21.10 N ATOM 177 CA ILE A 12 11.015 -15.882 -8.052 1.00 64.54 C ATOM 178 C ILE A 12 9.820 -16.574 -8.701 1.00 34.03 C ATOM 179 O ILE A 12 9.950 -17.659 -9.266 1.00 74.53 O ATOM 180 CB ILE A 12 10.910 -16.031 -6.522 1.00 74.10 C ATOM 181 CG1 ILE A 12 12.236 -15.649 -5.859 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.519 -17.454 -6.153 1.00 5.33 C ATOM 183 CD1 ILE A 12 12.210 -15.757 -4.351 1.00 2.33 C ATOM 0 H ILE A 12 11.108 -13.824 -7.669 1.00 21.10 H new ATOM 0 HA ILE A 12 11.936 -16.355 -8.393 1.00 64.54 H new ATOM 0 HB ILE A 12 10.135 -15.356 -6.159 1.00 74.10 H new ATOM 0 HG12 ILE A 12 13.026 -16.292 -6.248 1.00 64.04 H new ATOM 0 HG13 ILE A 12 12.491 -14.627 -6.138 1.00 64.04 H new ATOM 0 HG21 ILE A 12 10.449 -17.543 -5.069 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.554 -17.694 -6.600 1.00 5.33 H new ATOM 0 HG23 ILE A 12 11.273 -18.147 -6.526 1.00 5.33 H new ATOM 0 HD11 ILE A 12 13.182 -15.471 -3.949 1.00 2.33 H new ATOM 0 HD12 ILE A 12 11.443 -15.093 -3.952 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.986 -16.784 -4.064 1.00 2.33 H new ATOM 195 N ALA A 13 8.657 -15.935 -8.617 1.00 52.24 N ATOM 196 CA ALA A 13 7.440 -16.485 -9.200 1.00 63.33 C ATOM 197 C ALA A 13 7.581 -16.656 -10.708 1.00 65.53 C ATOM 198 O ALA A 13 7.385 -17.748 -11.242 1.00 52.01 O ATOM 199 CB ALA A 13 6.250 -15.594 -8.876 1.00 65.33 C ATOM 0 H ALA A 13 8.533 -15.036 -8.151 1.00 52.24 H new ATOM 0 HA ALA A 13 7.272 -17.470 -8.764 1.00 63.33 H new ATOM 0 HB1 ALA A 13 5.348 -16.017 -9.318 1.00 65.33 H new ATOM 0 HB2 ALA A 13 6.128 -15.528 -7.795 1.00 65.33 H new ATOM 0 HB3 ALA A 13 6.420 -14.597 -9.283 1.00 65.33 H new ATOM 205 N LYS A 14 7.924 -15.569 -11.392 1.00 61.31 N ATOM 206 CA LYS A 14 8.092 -15.597 -12.840 1.00 24.13 C ATOM 207 C LYS A 14 9.106 -16.661 -13.249 1.00 74.23 C ATOM 208 O LYS A 14 9.015 -17.233 -14.336 1.00 64.00 O ATOM 209 CB LYS A 14 8.542 -14.225 -13.348 1.00 55.21 C ATOM 210 CG LYS A 14 7.391 -13.286 -13.666 1.00 43.13 C ATOM 211 CD LYS A 14 7.854 -11.842 -13.740 1.00 15.10 C ATOM 212 CE LYS A 14 6.951 -11.012 -14.641 1.00 0.23 C ATOM 213 NZ LYS A 14 7.700 -9.918 -15.319 1.00 52.31 N1+ ATOM 0 H LYS A 14 8.091 -14.657 -10.966 1.00 61.31 H new ATOM 0 HA LYS A 14 7.130 -15.846 -13.288 1.00 24.13 H new ATOM 0 HB2 LYS A 14 9.182 -13.761 -12.597 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.148 -14.360 -14.244 1.00 55.21 H new ATOM 0 HG2 LYS A 14 6.938 -13.573 -14.615 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.619 -13.383 -12.902 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.866 -11.411 -12.739 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.877 -11.806 -14.115 1.00 15.10 H new ATOM 0 HE2 LYS A 14 6.493 -11.658 -15.390 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.141 -10.585 -14.050 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 7.051 -9.375 -15.924 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.116 -9.287 -14.604 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.457 -10.326 -15.903 1.00 52.31 H new ATOM 227 N ARG A 15 10.070 -16.921 -12.372 1.00 24.20 N ATOM 228 CA ARG A 15 11.100 -17.916 -12.644 1.00 2.23 C ATOM 229 C ARG A 15 10.558 -19.328 -12.443 1.00 74.55 C ATOM 230 O ARG A 15 10.914 -20.251 -13.177 1.00 13.42 O ATOM 231 CB ARG A 15 12.310 -17.689 -11.735 1.00 52.33 C ATOM 232 CG ARG A 15 13.582 -17.338 -12.490 1.00 60.13 C ATOM 233 CD ARG A 15 14.013 -18.471 -13.408 1.00 64.22 C ATOM 234 NE ARG A 15 14.520 -17.976 -14.685 1.00 31.41 N ATOM 235 CZ ARG A 15 14.647 -18.734 -15.769 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.306 -20.015 -15.730 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 15.116 -18.211 -16.894 1.00 54.20 N ATOM 0 H ARG A 15 10.159 -16.457 -11.468 1.00 24.20 H new ATOM 0 HA ARG A 15 11.409 -17.808 -13.684 1.00 2.23 H new ATOM 0 HB2 ARG A 15 12.081 -16.887 -11.033 1.00 52.33 H new ATOM 0 HB3 ARG A 15 12.484 -18.589 -11.145 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.421 -16.434 -13.077 1.00 60.13 H new ATOM 0 HG3 ARG A 15 14.380 -17.119 -11.780 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.785 -19.063 -12.916 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.167 -19.135 -13.586 1.00 64.22 H new ATOM 0 HE ARG A 15 14.791 -16.995 -14.748 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.945 -20.421 -14.866 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.404 -20.595 -16.564 1.00 71.10 H new ATOM 0 HH21 ARG A 15 15.380 -17.226 -16.928 1.00 54.20 H new ATOM 0 HH22 ARG A 15 15.213 -18.794 -17.726 1.00 54.20 H new ATOM 251 N LEU A 16 9.696 -19.489 -11.446 1.00 62.42 N ATOM 252 CA LEU A 16 9.104 -20.789 -11.148 1.00 42.54 C ATOM 253 C LEU A 16 8.090 -21.183 -12.217 1.00 3.14 C ATOM 254 O LEU A 16 7.743 -22.356 -12.353 1.00 45.05 O ATOM 255 CB LEU A 16 8.432 -20.763 -9.774 1.00 71.15 C ATOM 256 CG LEU A 16 6.935 -20.449 -9.765 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.124 -21.710 -10.016 1.00 44.00 C ATOM 258 CD2 LEU A 16 6.534 -19.806 -8.445 1.00 22.33 C ATOM 0 H LEU A 16 9.391 -18.736 -10.830 1.00 62.42 H new ATOM 0 HA LEU A 16 9.902 -21.531 -11.140 1.00 42.54 H new ATOM 0 HB2 LEU A 16 8.582 -21.733 -9.300 1.00 71.15 H new ATOM 0 HB3 LEU A 16 8.942 -20.024 -9.156 1.00 71.15 H new ATOM 0 HG LEU A 16 6.725 -19.743 -10.568 1.00 53.24 H new ATOM 0 HD11 LEU A 16 5.061 -21.467 -10.006 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.392 -22.128 -10.987 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.337 -22.441 -9.236 1.00 44.00 H new ATOM 0 HD21 LEU A 16 5.466 -19.589 -8.456 1.00 22.33 H new ATOM 0 HD22 LEU A 16 6.758 -20.489 -7.625 1.00 22.33 H new ATOM 0 HD23 LEU A 16 7.091 -18.879 -8.308 1.00 22.33 H new ATOM 270 N GLU A 17 7.620 -20.196 -12.972 1.00 24.21 N ATOM 271 CA GLU A 17 6.646 -20.440 -14.029 1.00 73.03 C ATOM 272 C GLU A 17 7.342 -20.809 -15.336 1.00 53.54 C ATOM 273 O GLU A 17 6.699 -21.225 -16.298 1.00 53.11 O ATOM 274 CB GLU A 17 5.766 -19.206 -14.239 1.00 62.44 C ATOM 275 CG GLU A 17 4.996 -18.790 -12.996 1.00 32.22 C ATOM 276 CD GLU A 17 3.924 -17.760 -13.293 1.00 55.30 C ATOM 277 OE1 GLU A 17 2.908 -18.124 -13.923 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 4.099 -16.590 -12.893 1.00 64.43 O ATOM 0 H GLU A 17 7.898 -19.220 -12.872 1.00 24.21 H new ATOM 0 HA GLU A 17 6.018 -21.277 -13.722 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.392 -18.375 -14.564 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.059 -19.407 -15.044 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.535 -19.670 -12.547 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.691 -18.384 -12.261 1.00 32.22 H new ATOM 285 N SER A 18 8.662 -20.653 -15.361 1.00 60.23 N ATOM 286 CA SER A 18 9.447 -20.965 -16.550 1.00 50.12 C ATOM 287 C SER A 18 9.573 -22.474 -16.736 1.00 44.52 C ATOM 288 O SER A 18 9.447 -22.985 -17.849 1.00 12.43 O ATOM 289 CB SER A 18 10.836 -20.334 -16.450 1.00 53.43 C ATOM 290 OG SER A 18 11.410 -20.157 -17.734 1.00 62.03 O ATOM 0 H SER A 18 9.210 -20.312 -14.571 1.00 60.23 H new ATOM 0 HA SER A 18 8.930 -20.551 -17.416 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.766 -19.371 -15.944 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.483 -20.967 -15.843 1.00 53.43 H new ATOM 0 HG SER A 18 12.297 -19.750 -17.643 1.00 62.03 H new ATOM 296 N ILE A 19 9.825 -23.180 -15.639 1.00 61.30 N ATOM 297 CA ILE A 19 9.968 -24.630 -15.681 1.00 41.24 C ATOM 298 C ILE A 19 8.834 -25.272 -16.471 1.00 31.14 C ATOM 299 O ILE A 19 7.706 -25.375 -15.988 1.00 72.51 O ATOM 300 CB ILE A 19 9.998 -25.234 -14.263 1.00 11.12 C ATOM 301 CG1 ILE A 19 10.996 -24.479 -13.385 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.349 -26.713 -14.325 1.00 52.32 C ATOM 303 CD1 ILE A 19 10.348 -23.725 -12.244 1.00 70.51 C ATOM 0 H ILE A 19 9.934 -22.772 -14.711 1.00 61.30 H new ATOM 0 HA ILE A 19 10.916 -24.839 -16.177 1.00 41.24 H new ATOM 0 HB ILE A 19 9.007 -25.135 -13.820 1.00 11.12 H new ATOM 0 HG12 ILE A 19 11.718 -25.187 -12.978 1.00 33.03 H new ATOM 0 HG13 ILE A 19 11.553 -23.776 -14.004 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.366 -27.125 -13.316 1.00 52.32 H new ATOM 0 HG22 ILE A 19 9.602 -27.240 -14.920 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.330 -26.835 -14.784 1.00 52.32 H new ATOM 0 HD11 ILE A 19 11.116 -23.213 -11.664 1.00 70.51 H new ATOM 0 HD12 ILE A 19 9.647 -22.992 -12.644 1.00 70.51 H new ATOM 0 HD13 ILE A 19 9.814 -24.425 -11.602 1.00 70.51 H new ATOM 315 N ASP A 20 9.141 -25.705 -17.689 1.00 31.11 N ATOM 316 CA ASP A 20 8.148 -26.341 -18.548 1.00 60.31 C ATOM 317 C ASP A 20 7.609 -27.614 -17.905 1.00 52.22 C ATOM 318 O ASP A 20 8.328 -28.348 -17.224 1.00 2.52 O ATOM 319 CB ASP A 20 8.754 -26.662 -19.915 1.00 72.22 C ATOM 320 CG ASP A 20 8.088 -25.893 -21.039 1.00 72.21 C ATOM 321 OD1 ASP A 20 8.055 -24.646 -20.966 1.00 1.44 O ATOM 322 OD2 ASP A 20 7.602 -26.536 -21.991 1.00 54.13 O1- ATOM 0 H ASP A 20 10.070 -25.627 -18.104 1.00 31.11 H new ATOM 0 HA ASP A 20 7.320 -25.644 -18.682 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.819 -26.429 -19.901 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.664 -27.731 -20.107 1.00 72.22 H new ATOM 327 N PRO A 21 6.314 -27.886 -18.122 1.00 3.01 N ATOM 328 CA PRO A 21 5.649 -29.071 -17.572 1.00 51.32 C ATOM 329 C PRO A 21 6.130 -30.362 -18.226 1.00 31.01 C ATOM 330 O PRO A 21 5.845 -31.457 -17.744 1.00 73.52 O ATOM 331 CB PRO A 21 4.172 -28.830 -17.889 1.00 40.32 C ATOM 332 CG PRO A 21 4.182 -27.927 -19.075 1.00 41.15 C ATOM 333 CD PRO A 21 5.397 -27.056 -18.922 1.00 41.12 C ATOM 0 HA PRO A 21 5.856 -29.196 -16.509 1.00 51.32 H new ATOM 0 HB2 PRO A 21 3.656 -29.765 -18.108 1.00 40.32 H new ATOM 0 HB3 PRO A 21 3.656 -28.371 -17.046 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.227 -28.500 -20.001 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.274 -27.326 -19.115 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.830 -26.797 -19.888 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.159 -26.120 -18.417 1.00 41.12 H new ATOM 341 N ALA A 22 6.863 -30.224 -19.327 1.00 74.25 N ATOM 342 CA ALA A 22 7.387 -31.379 -20.046 1.00 71.25 C ATOM 343 C ALA A 22 8.632 -31.934 -19.362 1.00 24.44 C ATOM 344 O ALA A 22 9.168 -32.963 -19.770 1.00 64.13 O ATOM 345 CB ALA A 22 7.695 -31.007 -21.488 1.00 74.40 C ATOM 0 H ALA A 22 7.107 -29.324 -19.740 1.00 74.25 H new ATOM 0 HA ALA A 22 6.624 -32.157 -20.038 1.00 71.25 H new ATOM 0 HB1 ALA A 22 8.086 -31.879 -22.013 1.00 74.40 H new ATOM 0 HB2 ALA A 22 6.783 -30.666 -21.979 1.00 74.40 H new ATOM 0 HB3 ALA A 22 8.437 -30.209 -21.507 1.00 74.40 H new ATOM 351 N ASN A 23 9.086 -31.245 -18.320 1.00 31.42 N ATOM 352 CA ASN A 23 10.269 -31.668 -17.581 1.00 33.21 C ATOM 353 C ASN A 23 10.473 -30.805 -16.339 1.00 71.22 C ATOM 354 O ASN A 23 10.912 -29.658 -16.432 1.00 21.44 O ATOM 355 CB ASN A 23 11.509 -31.594 -18.475 1.00 24.34 C ATOM 356 CG ASN A 23 12.352 -32.853 -18.401 1.00 24.24 C ATOM 357 OD1 ASN A 23 12.428 -33.619 -19.361 1.00 64.52 O ATOM 358 ND2 ASN A 23 12.988 -33.071 -17.257 1.00 44.13 N ATOM 0 H ASN A 23 8.652 -30.391 -17.969 1.00 31.42 H new ATOM 0 HA ASN A 23 10.118 -32.700 -17.264 1.00 33.21 H new ATOM 0 HB2 ASN A 23 11.200 -31.427 -19.507 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.115 -30.737 -18.181 1.00 24.34 H new ATOM 0 HD21 ASN A 23 13.569 -33.902 -17.147 1.00 44.13 H new ATOM 0 HD22 ASN A 23 12.895 -32.408 -16.488 1.00 44.13 H new ATOM 365 N ARG A 24 10.151 -31.365 -15.177 1.00 31.34 N ATOM 366 CA ARG A 24 10.297 -30.648 -13.917 1.00 3.31 C ATOM 367 C ARG A 24 11.454 -31.215 -13.099 1.00 41.40 C ATOM 368 O ARG A 24 12.108 -32.172 -13.514 1.00 60.52 O ATOM 369 CB ARG A 24 9.001 -30.725 -13.107 1.00 43.24 C ATOM 370 CG ARG A 24 7.767 -30.307 -13.892 1.00 73.04 C ATOM 371 CD ARG A 24 7.656 -28.794 -13.990 1.00 15.52 C ATOM 372 NE ARG A 24 7.656 -28.159 -12.675 1.00 53.32 N ATOM 373 CZ ARG A 24 6.549 -27.846 -12.010 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.360 -28.108 -12.535 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.631 -27.269 -10.818 1.00 32.13 N ATOM 0 H ARG A 24 9.787 -32.313 -15.083 1.00 31.34 H new ATOM 0 HA ARG A 24 10.513 -29.604 -14.146 1.00 3.31 H new ATOM 0 HB2 ARG A 24 8.866 -31.746 -12.750 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.094 -30.089 -12.227 1.00 43.24 H new ATOM 0 HG2 ARG A 24 7.809 -30.736 -14.893 1.00 73.04 H new ATOM 0 HG3 ARG A 24 6.875 -30.708 -13.411 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.487 -28.407 -14.579 1.00 15.52 H new ATOM 0 HD3 ARG A 24 6.740 -28.531 -14.519 1.00 15.52 H new ATOM 0 HE ARG A 24 8.555 -27.944 -12.243 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.294 -28.551 -13.451 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.512 -27.867 -12.022 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.544 -27.065 -10.412 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.781 -27.029 -10.308 1.00 32.13 H new ATOM 389 N GLN A 25 11.701 -30.617 -11.939 1.00 23.44 N ATOM 390 CA GLN A 25 12.779 -31.062 -11.065 1.00 3.41 C ATOM 391 C GLN A 25 12.225 -31.757 -9.825 1.00 43.32 C ATOM 392 O GLN A 25 12.142 -32.984 -9.773 1.00 3.03 O ATOM 393 CB GLN A 25 13.651 -29.875 -10.651 1.00 73.40 C ATOM 394 CG GLN A 25 14.505 -29.325 -11.782 1.00 65.05 C ATOM 395 CD GLN A 25 15.805 -30.085 -11.956 1.00 54.13 C ATOM 396 OE1 GLN A 25 15.825 -31.316 -11.931 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.899 -29.355 -12.136 1.00 12.31 N ATOM 0 H GLN A 25 11.169 -29.823 -11.582 1.00 23.44 H new ATOM 0 HA GLN A 25 13.388 -31.777 -11.618 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.011 -29.079 -10.270 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.301 -30.181 -9.831 1.00 73.40 H new ATOM 0 HG2 GLN A 25 13.938 -29.365 -12.712 1.00 65.05 H new ATOM 0 HG3 GLN A 25 14.726 -28.275 -11.588 1.00 65.05 H new ATOM 0 HE21 GLN A 25 16.836 -28.337 -12.150 1.00 12.31 H new ATOM 0 HE22 GLN A 25 17.802 -29.812 -12.261 1.00 12.31 H new ATOM 406 N VAL A 26 11.846 -30.964 -8.828 1.00 53.35 N ATOM 407 CA VAL A 26 11.298 -31.502 -7.588 1.00 53.24 C ATOM 408 C VAL A 26 10.013 -30.782 -7.197 1.00 23.30 C ATOM 409 O VAL A 26 10.014 -29.573 -6.965 1.00 23.40 O ATOM 410 CB VAL A 26 12.309 -31.391 -6.432 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.757 -29.947 -6.253 1.00 24.22 C ATOM 412 CG2 VAL A 26 11.708 -31.934 -5.145 1.00 61.33 C ATOM 0 H VAL A 26 11.908 -29.946 -8.855 1.00 53.35 H new ATOM 0 HA VAL A 26 11.080 -32.555 -7.769 1.00 53.24 H new ATOM 0 HB VAL A 26 13.185 -31.991 -6.678 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.471 -29.887 -5.432 1.00 24.22 H new ATOM 0 HG12 VAL A 26 13.229 -29.596 -7.171 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.892 -29.323 -6.028 1.00 24.22 H new ATOM 0 HG21 VAL A 26 12.436 -31.848 -4.339 1.00 61.33 H new ATOM 0 HG22 VAL A 26 10.816 -31.362 -4.891 1.00 61.33 H new ATOM 0 HG23 VAL A 26 11.441 -32.982 -5.282 1.00 61.33 H new ATOM 422 N GLU A 27 8.917 -31.533 -7.125 1.00 51.22 N ATOM 423 CA GLU A 27 7.625 -30.964 -6.761 1.00 53.14 C ATOM 424 C GLU A 27 7.273 -31.295 -5.314 1.00 20.43 C ATOM 425 O GLU A 27 7.272 -32.460 -4.914 1.00 21.25 O ATOM 426 CB GLU A 27 6.532 -31.488 -7.695 1.00 64.43 C ATOM 427 CG GLU A 27 6.672 -31.001 -9.129 1.00 1.54 C ATOM 428 CD GLU A 27 5.559 -31.503 -10.026 1.00 23.31 C ATOM 429 OE1 GLU A 27 5.581 -32.699 -10.386 1.00 13.03 O ATOM 430 OE2 GLU A 27 4.666 -30.701 -10.370 1.00 0.53 O1- ATOM 0 H GLU A 27 8.899 -32.535 -7.314 1.00 51.22 H new ATOM 0 HA GLU A 27 7.692 -29.881 -6.862 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.550 -32.578 -7.687 1.00 64.43 H new ATOM 0 HB3 GLU A 27 5.559 -31.183 -7.310 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.679 -29.911 -9.140 1.00 1.54 H new ATOM 0 HG3 GLU A 27 7.632 -31.329 -9.528 1.00 1.54 H new ATOM 437 N HIS A 28 6.974 -30.262 -4.532 1.00 1.34 N ATOM 438 CA HIS A 28 6.620 -30.442 -3.128 1.00 23.23 C ATOM 439 C HIS A 28 6.083 -29.145 -2.533 1.00 12.45 C ATOM 440 O HIS A 28 6.007 -28.122 -3.214 1.00 2.54 O ATOM 441 CB HIS A 28 7.835 -30.919 -2.332 1.00 64.15 C ATOM 442 CG HIS A 28 7.638 -32.251 -1.678 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.064 -33.436 -2.241 1.00 64.13 N ATOM 444 CD2 HIS A 28 7.057 -32.583 -0.502 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.753 -34.438 -1.440 1.00 15.35 C ATOM 446 NE2 HIS A 28 7.141 -33.948 -0.377 1.00 63.45 N ATOM 0 H HIS A 28 6.970 -29.292 -4.847 1.00 1.34 H new ATOM 0 HA HIS A 28 5.837 -31.198 -3.069 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.696 -30.974 -2.998 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.071 -30.179 -1.567 1.00 64.15 H new ATOM 0 HD2 HIS A 28 6.610 -31.901 0.207 1.00 51.55 H new ATOM 0 HE1 HIS A 28 7.963 -35.481 -1.623 1.00 15.35 H new ATOM 0 HE2 HIS A 28 6.788 -34.494 0.409 1.00 63.45 H new ATOM 454 N VAL A 29 5.711 -29.194 -1.258 1.00 54.23 N ATOM 455 CA VAL A 29 5.180 -28.022 -0.570 1.00 31.14 C ATOM 456 C VAL A 29 6.242 -27.376 0.312 1.00 41.44 C ATOM 457 O VAL A 29 6.792 -28.016 1.210 1.00 25.11 O ATOM 458 CB VAL A 29 3.959 -28.385 0.296 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.517 -27.188 1.122 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.821 -28.893 -0.575 1.00 5.11 C ATOM 0 H VAL A 29 5.767 -30.033 -0.680 1.00 54.23 H new ATOM 0 HA VAL A 29 4.872 -27.315 -1.340 1.00 31.14 H new ATOM 0 HB VAL A 29 4.245 -29.183 0.981 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.653 -27.463 1.728 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.332 -26.875 1.774 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.248 -26.367 0.458 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.967 -29.145 0.053 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.533 -28.118 -1.286 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.146 -29.781 -1.118 1.00 5.11 H new ATOM 470 N TYR A 30 6.525 -26.104 0.052 1.00 54.15 N ATOM 471 CA TYR A 30 7.523 -25.371 0.821 1.00 42.42 C ATOM 472 C TYR A 30 6.859 -24.359 1.749 1.00 53.31 C ATOM 473 O TYR A 30 5.698 -23.993 1.562 1.00 71.04 O ATOM 474 CB TYR A 30 8.497 -24.656 -0.117 1.00 40.44 C ATOM 475 CG TYR A 30 9.572 -25.561 -0.677 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.249 -26.617 -1.520 1.00 63.54 C ATOM 477 CD2 TYR A 30 10.910 -25.358 -0.365 1.00 23.33 C ATOM 478 CE1 TYR A 30 10.227 -27.446 -2.033 1.00 50.54 C ATOM 479 CE2 TYR A 30 11.896 -26.181 -0.874 1.00 42.43 C ATOM 480 CZ TYR A 30 11.549 -27.223 -1.708 1.00 32.12 C ATOM 481 OH TYR A 30 12.527 -28.046 -2.218 1.00 33.15 O ATOM 0 H TYR A 30 6.077 -25.560 -0.685 1.00 54.15 H new ATOM 0 HA TYR A 30 8.075 -26.088 1.429 1.00 42.42 H new ATOM 0 HB2 TYR A 30 7.937 -24.217 -0.943 1.00 40.44 H new ATOM 0 HB3 TYR A 30 8.969 -23.834 0.421 1.00 40.44 H new ATOM 0 HD1 TYR A 30 8.215 -26.793 -1.779 1.00 63.54 H new ATOM 0 HD2 TYR A 30 11.185 -24.542 0.287 1.00 23.33 H new ATOM 0 HE1 TYR A 30 9.958 -28.264 -2.685 1.00 50.54 H new ATOM 0 HE2 TYR A 30 12.932 -26.009 -0.620 1.00 42.43 H new ATOM 0 HH TYR A 30 13.314 -27.512 -2.453 1.00 33.15 H new ATOM 491 N LYS A 31 7.604 -23.909 2.753 1.00 21.53 N ATOM 492 CA LYS A 31 7.091 -22.937 3.712 1.00 33.30 C ATOM 493 C LYS A 31 8.024 -21.735 3.820 1.00 72.40 C ATOM 494 O LYS A 31 9.245 -21.885 3.846 1.00 42.23 O ATOM 495 CB LYS A 31 6.919 -23.588 5.086 1.00 30.01 C ATOM 496 CG LYS A 31 5.801 -22.976 5.913 1.00 12.24 C ATOM 497 CD LYS A 31 6.096 -23.067 7.401 1.00 72.33 C ATOM 498 CE LYS A 31 5.710 -24.425 7.964 1.00 1.42 C ATOM 499 NZ LYS A 31 4.720 -24.308 9.070 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.566 -24.202 2.924 1.00 21.53 H new ATOM 0 HA LYS A 31 6.120 -22.590 3.357 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.721 -24.651 4.953 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.855 -23.505 5.638 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.668 -21.932 5.631 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.864 -23.487 5.695 1.00 12.24 H new ATOM 0 HD2 LYS A 31 7.157 -22.889 7.574 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.551 -22.285 7.929 1.00 72.33 H new ATOM 0 HE2 LYS A 31 5.294 -25.043 7.168 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.603 -24.934 8.328 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 4.054 -25.106 9.026 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 5.217 -24.322 9.984 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.197 -23.414 8.974 1.00 74.42 H new ATOM 513 N PHE A 32 7.441 -20.543 3.886 1.00 21.34 N ATOM 514 CA PHE A 32 8.220 -19.315 3.992 1.00 31.43 C ATOM 515 C PHE A 32 7.609 -18.372 5.024 1.00 73.13 C ATOM 516 O PHE A 32 6.455 -17.962 4.901 1.00 30.25 O ATOM 517 CB PHE A 32 8.301 -18.619 2.633 1.00 2.44 C ATOM 518 CG PHE A 32 9.680 -18.625 2.037 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.693 -17.860 2.593 1.00 25.20 C ATOM 520 CD2 PHE A 32 9.963 -19.397 0.923 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.963 -17.864 2.048 1.00 15.23 C ATOM 522 CE2 PHE A 32 11.232 -19.406 0.373 1.00 31.04 C ATOM 523 CZ PHE A 32 12.232 -18.637 0.935 1.00 34.24 C ATOM 0 H PHE A 32 6.431 -20.401 3.868 1.00 21.34 H new ATOM 0 HA PHE A 32 9.226 -19.579 4.317 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.613 -19.107 1.942 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.965 -17.588 2.741 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.488 -17.253 3.463 1.00 25.20 H new ATOM 0 HD2 PHE A 32 9.184 -19.999 0.479 1.00 34.32 H new ATOM 0 HE1 PHE A 32 12.744 -17.264 2.491 1.00 15.23 H new ATOM 0 HE2 PHE A 32 11.441 -20.014 -0.495 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.223 -18.640 0.505 1.00 34.24 H new ATOM 533 N ARG A 33 8.392 -18.032 6.042 1.00 2.52 N ATOM 534 CA ARG A 33 7.930 -17.138 7.097 1.00 14.43 C ATOM 535 C ARG A 33 8.780 -15.871 7.149 1.00 75.14 C ATOM 536 O ARG A 33 10.000 -15.925 6.992 1.00 61.42 O ATOM 537 CB ARG A 33 7.971 -17.848 8.452 1.00 2.14 C ATOM 538 CG ARG A 33 6.903 -18.918 8.610 1.00 20.25 C ATOM 539 CD ARG A 33 7.258 -19.900 9.716 1.00 10.22 C ATOM 540 NE ARG A 33 6.180 -20.039 10.691 1.00 11.44 N ATOM 541 CZ ARG A 33 6.078 -21.062 11.533 1.00 10.32 C ATOM 542 NH1 ARG A 33 6.984 -22.031 11.518 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 5.068 -21.119 12.392 1.00 25.32 N ATOM 0 H ARG A 33 9.350 -18.362 6.159 1.00 2.52 H new ATOM 0 HA ARG A 33 6.901 -16.856 6.873 1.00 14.43 H new ATOM 0 HB2 ARG A 33 8.952 -18.303 8.585 1.00 2.14 H new ATOM 0 HB3 ARG A 33 7.853 -17.109 9.244 1.00 2.14 H new ATOM 0 HG2 ARG A 33 5.945 -18.448 8.833 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.783 -19.455 7.669 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.479 -20.874 9.279 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.163 -19.564 10.222 1.00 10.22 H new ATOM 0 HE ARG A 33 5.466 -19.311 10.728 1.00 11.44 H new ATOM 0 HH11 ARG A 33 7.762 -21.992 10.859 1.00 23.32 H new ATOM 0 HH12 ARG A 33 6.903 -22.815 12.166 1.00 23.32 H new ATOM 0 HH21 ARG A 33 4.368 -20.377 12.407 1.00 25.32 H new ATOM 0 HH22 ARG A 33 4.991 -21.905 13.038 1.00 25.32 H new ATOM 557 N ILE A 34 8.127 -14.736 7.371 1.00 62.22 N ATOM 558 CA ILE A 34 8.823 -13.457 7.445 1.00 24.14 C ATOM 559 C ILE A 34 8.734 -12.862 8.845 1.00 22.22 C ATOM 560 O ILE A 34 7.802 -12.121 9.159 1.00 15.22 O ATOM 561 CB ILE A 34 8.252 -12.447 6.432 1.00 45.40 C ATOM 562 CG1 ILE A 34 8.072 -13.109 5.064 1.00 40.21 C ATOM 563 CG2 ILE A 34 9.164 -11.233 6.323 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.251 -13.959 4.645 1.00 0.34 C ATOM 0 H ILE A 34 7.117 -14.675 7.503 1.00 62.22 H new ATOM 0 HA ILE A 34 9.868 -13.652 7.203 1.00 24.14 H new ATOM 0 HB ILE A 34 7.276 -12.114 6.785 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.176 -13.729 5.085 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.907 -12.336 4.314 1.00 40.21 H new ATOM 0 HG21 ILE A 34 8.747 -10.528 5.603 1.00 73.20 H new ATOM 0 HG22 ILE A 34 9.246 -10.751 7.297 1.00 73.20 H new ATOM 0 HG23 ILE A 34 10.153 -11.549 5.990 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.054 -14.397 3.666 1.00 0.34 H new ATOM 0 HD12 ILE A 34 10.146 -13.339 4.592 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.404 -14.754 5.374 1.00 0.34 H new ATOM 576 N THR A 35 9.711 -13.189 9.686 1.00 73.35 N ATOM 577 CA THR A 35 9.743 -12.687 11.053 1.00 10.14 C ATOM 578 C THR A 35 10.609 -11.437 11.159 1.00 21.43 C ATOM 579 O THR A 35 11.672 -11.355 10.544 1.00 61.13 O ATOM 580 CB THR A 35 10.277 -13.752 12.030 1.00 42.42 C ATOM 581 OG1 THR A 35 11.583 -14.178 11.624 1.00 61.24 O ATOM 582 CG2 THR A 35 9.342 -14.951 12.087 1.00 21.42 C ATOM 0 H THR A 35 10.491 -13.800 9.443 1.00 73.35 H new ATOM 0 HA THR A 35 8.717 -12.439 11.323 1.00 10.14 H new ATOM 0 HB THR A 35 10.333 -13.307 13.023 1.00 42.42 H new ATOM 0 HG1 THR A 35 11.916 -14.854 12.251 1.00 61.24 H new ATOM 0 HG21 THR A 35 9.740 -15.690 12.783 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.357 -14.628 12.424 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.259 -15.395 11.095 1.00 21.42 H new ATOM 643 N VAL A 40 6.960 -13.694 13.992 1.00 13.33 N ATOM 644 CA VAL A 40 6.436 -13.719 12.631 1.00 41.44 C ATOM 645 C VAL A 40 5.356 -12.660 12.439 1.00 63.31 C ATOM 646 O VAL A 40 4.584 -12.371 13.354 1.00 63.13 O ATOM 647 CB VAL A 40 5.853 -15.101 12.281 1.00 45.24 C ATOM 648 CG1 VAL A 40 4.622 -15.391 13.125 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.522 -15.178 10.797 1.00 51.40 C ATOM 0 HA VAL A 40 7.272 -13.506 11.965 1.00 41.44 H new ATOM 0 HB VAL A 40 6.603 -15.860 12.504 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.224 -16.372 12.863 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.894 -15.379 14.181 1.00 55.31 H new ATOM 0 HG13 VAL A 40 3.864 -14.630 12.937 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.111 -16.161 10.566 1.00 51.40 H new ATOM 0 HG22 VAL A 40 4.789 -14.411 10.547 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.428 -15.018 10.213 1.00 51.40 H new ATOM 659 N VAL A 41 5.306 -12.085 11.242 1.00 34.35 N ATOM 660 CA VAL A 41 4.320 -11.058 10.928 1.00 44.34 C ATOM 661 C VAL A 41 3.521 -11.425 9.683 1.00 12.15 C ATOM 662 O VAL A 41 2.575 -10.730 9.311 1.00 4.11 O ATOM 663 CB VAL A 41 4.986 -9.686 10.711 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.411 -9.082 12.041 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.176 -9.815 9.771 1.00 22.42 C ATOM 0 H VAL A 41 5.937 -12.313 10.474 1.00 34.35 H new ATOM 0 HA VAL A 41 3.647 -10.995 11.783 1.00 44.34 H new ATOM 0 HB VAL A 41 4.259 -9.017 10.251 1.00 3.41 H new ATOM 0 HG11 VAL A 41 5.879 -8.113 11.868 1.00 40.14 H new ATOM 0 HG12 VAL A 41 4.536 -8.953 12.678 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.122 -9.746 12.532 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.635 -8.837 9.629 1.00 22.42 H new ATOM 0 HG22 VAL A 41 6.907 -10.499 10.201 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.840 -10.201 8.809 1.00 22.42 H new ATOM 675 N LYS A 42 3.908 -12.524 9.042 1.00 42.43 N ATOM 676 CA LYS A 42 3.228 -12.987 7.838 1.00 33.55 C ATOM 677 C LYS A 42 3.642 -14.414 7.494 1.00 43.41 C ATOM 678 O LYS A 42 4.633 -14.924 8.014 1.00 1.03 O ATOM 679 CB LYS A 42 3.537 -12.057 6.662 1.00 52.12 C ATOM 680 CG LYS A 42 2.336 -11.257 6.187 1.00 64.32 C ATOM 681 CD LYS A 42 2.458 -9.790 6.564 1.00 52.31 C ATOM 682 CE LYS A 42 1.193 -9.280 7.237 1.00 23.22 C ATOM 683 NZ LYS A 42 0.651 -8.072 6.555 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.689 -13.110 9.337 1.00 42.43 H new ATOM 0 HA LYS A 42 2.155 -12.975 8.030 1.00 33.55 H new ATOM 0 HB2 LYS A 42 4.330 -11.368 6.953 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.919 -12.650 5.831 1.00 52.12 H new ATOM 0 HG2 LYS A 42 2.242 -11.349 5.105 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.427 -11.671 6.623 1.00 64.32 H new ATOM 0 HD2 LYS A 42 3.307 -9.655 7.234 1.00 52.31 H new ATOM 0 HD3 LYS A 42 2.659 -9.199 5.670 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.439 -10.067 7.236 1.00 23.22 H new ATOM 0 HE3 LYS A 42 1.406 -9.044 8.280 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -0.211 -7.755 7.043 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 1.361 -7.313 6.578 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 0.424 -8.304 5.567 1.00 13.02 H new ATOM 697 N ASN A 43 2.877 -15.051 6.614 1.00 34.54 N ATOM 698 CA ASN A 43 3.166 -16.419 6.200 1.00 55.25 C ATOM 699 C ASN A 43 3.252 -16.521 4.680 1.00 40.53 C ATOM 700 O ASN A 43 2.592 -15.772 3.960 1.00 31.40 O ATOM 701 CB ASN A 43 2.091 -17.372 6.726 1.00 53.41 C ATOM 702 CG ASN A 43 0.687 -16.896 6.401 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.460 -16.253 5.375 1.00 24.42 O ATOM 704 ND2 ASN A 43 -0.261 -17.211 7.275 1.00 72.11 N ATOM 0 H ASN A 43 2.053 -14.642 6.174 1.00 34.54 H new ATOM 0 HA ASN A 43 4.131 -16.703 6.621 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.245 -18.362 6.296 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.196 -17.474 7.806 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -1.224 -16.919 7.110 1.00 72.11 H new ATOM 0 HD22 ASN A 43 -0.026 -17.745 8.112 1.00 72.11 H new ATOM 711 N TRP A 44 4.068 -17.452 4.201 1.00 22.12 N ATOM 712 CA TRP A 44 4.239 -17.653 2.766 1.00 23.21 C ATOM 713 C TRP A 44 4.268 -19.138 2.423 1.00 15.33 C ATOM 714 O TRP A 44 4.757 -19.956 3.204 1.00 44.21 O ATOM 715 CB TRP A 44 5.527 -16.981 2.287 1.00 45.14 C ATOM 716 CG TRP A 44 5.285 -15.760 1.452 1.00 71.55 C ATOM 717 CD1 TRP A 44 5.221 -15.697 0.090 1.00 73.33 C ATOM 718 CD2 TRP A 44 5.077 -14.425 1.928 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.986 -14.404 -0.311 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.892 -13.605 0.797 1.00 25.04 C ATOM 721 CE3 TRP A 44 5.026 -13.844 3.196 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.662 -12.236 0.901 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.799 -12.484 3.298 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.619 -11.693 2.156 1.00 1.02 C ATOM 0 H TRP A 44 4.622 -18.080 4.784 1.00 22.12 H new ATOM 0 HA TRP A 44 3.389 -17.199 2.257 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.129 -16.707 3.153 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.109 -17.698 1.709 1.00 45.14 H new ATOM 0 HD1 TRP A 44 5.338 -16.540 -0.575 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.896 -14.090 -1.277 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.162 -14.446 4.082 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 4.522 -11.624 0.022 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.760 -12.024 4.274 1.00 62.30 H new ATOM 0 HH2 TRP A 44 4.443 -10.633 2.268 1.00 1.02 H new ATOM 735 N VAL A 45 3.743 -19.482 1.251 1.00 5.25 N ATOM 736 CA VAL A 45 3.711 -20.869 0.806 1.00 60.54 C ATOM 737 C VAL A 45 4.076 -20.981 -0.671 1.00 5.42 C ATOM 738 O VAL A 45 3.594 -20.210 -1.499 1.00 33.13 O ATOM 739 CB VAL A 45 2.322 -21.498 1.028 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.174 -22.770 0.209 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.094 -21.776 2.506 1.00 33.43 C ATOM 0 H VAL A 45 3.334 -18.818 0.593 1.00 5.25 H new ATOM 0 HA VAL A 45 4.447 -21.409 1.402 1.00 60.54 H new ATOM 0 HB VAL A 45 1.564 -20.790 0.693 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.187 -23.199 0.379 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.291 -22.537 -0.849 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.938 -23.487 0.509 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.108 -22.220 2.645 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.857 -22.465 2.869 1.00 33.43 H new ATOM 0 HG23 VAL A 45 2.153 -20.842 3.065 1.00 33.43 H new ATOM 751 N MET A 46 4.931 -21.947 -0.992 1.00 62.23 N ATOM 752 CA MET A 46 5.359 -22.160 -2.368 1.00 35.14 C ATOM 753 C MET A 46 4.597 -23.320 -3.002 1.00 72.04 C ATOM 754 O MET A 46 4.745 -24.470 -2.592 1.00 51.41 O ATOM 755 CB MET A 46 6.864 -22.436 -2.420 1.00 33.01 C ATOM 756 CG MET A 46 7.636 -21.436 -3.266 1.00 43.13 C ATOM 757 SD MET A 46 9.302 -22.002 -3.661 1.00 65.24 S ATOM 758 CE MET A 46 10.285 -20.852 -2.702 1.00 25.52 C ATOM 0 H MET A 46 5.340 -22.594 -0.318 1.00 62.23 H new ATOM 0 HA MET A 46 5.142 -21.253 -2.933 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.262 -22.425 -1.405 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.028 -23.438 -2.816 1.00 33.01 H new ATOM 0 HG2 MET A 46 7.090 -21.251 -4.191 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.695 -20.486 -2.735 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.846 -20.204 -3.375 1.00 25.52 H new ATOM 0 HE2 MET A 46 9.629 -20.246 -2.077 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.978 -21.406 -2.069 1.00 25.52 H new ATOM 768 N ASP A 47 3.781 -23.008 -4.002 1.00 71.12 N ATOM 769 CA ASP A 47 2.995 -24.024 -4.693 1.00 32.40 C ATOM 770 C ASP A 47 3.743 -24.553 -5.913 1.00 53.15 C ATOM 771 O ASP A 47 3.539 -24.080 -7.032 1.00 2.25 O ATOM 772 CB ASP A 47 1.642 -23.452 -5.117 1.00 13.44 C ATOM 773 CG ASP A 47 0.492 -24.390 -4.803 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.325 -24.747 -3.620 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.239 -24.767 -5.743 1.00 72.40 O ATOM 0 H ASP A 47 3.646 -22.060 -4.353 1.00 71.12 H new ATOM 0 HA ASP A 47 2.830 -24.852 -4.003 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.479 -22.500 -4.612 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.657 -23.246 -6.187 1.00 13.44 H new ATOM 780 N LEU A 48 4.608 -25.535 -5.690 1.00 3.45 N ATOM 781 CA LEU A 48 5.388 -26.128 -6.771 1.00 34.13 C ATOM 782 C LEU A 48 4.557 -27.146 -7.547 1.00 74.54 C ATOM 783 O LEU A 48 4.972 -27.629 -8.600 1.00 65.54 O ATOM 784 CB LEU A 48 6.645 -26.798 -6.212 1.00 41.41 C ATOM 785 CG LEU A 48 7.880 -25.907 -6.085 1.00 71.10 C ATOM 786 CD1 LEU A 48 9.074 -26.716 -5.602 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.192 -25.233 -7.413 1.00 24.33 C ATOM 0 H LEU A 48 4.788 -25.938 -4.770 1.00 3.45 H new ATOM 0 HA LEU A 48 5.682 -25.331 -7.453 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.410 -27.201 -5.227 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.896 -27.644 -6.851 1.00 41.41 H new ATOM 0 HG LEU A 48 7.670 -25.132 -5.348 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.944 -26.065 -5.517 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.849 -27.150 -4.628 1.00 72.14 H new ATOM 0 HD13 LEU A 48 9.285 -27.514 -6.314 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.074 -24.603 -7.303 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.381 -25.993 -8.171 1.00 24.33 H new ATOM 0 HD23 LEU A 48 7.344 -24.620 -7.718 1.00 24.33 H new ATOM 799 N LYS A 49 3.380 -27.465 -7.020 1.00 53.41 N ATOM 800 CA LYS A 49 2.488 -28.423 -7.663 1.00 44.45 C ATOM 801 C LYS A 49 1.743 -27.775 -8.826 1.00 13.33 C ATOM 802 O LYS A 49 1.672 -28.336 -9.920 1.00 1.23 O ATOM 803 CB LYS A 49 1.487 -28.980 -6.649 1.00 43.22 C ATOM 804 CG LYS A 49 0.670 -27.907 -5.949 1.00 30.32 C ATOM 805 CD LYS A 49 0.341 -28.301 -4.519 1.00 53.45 C ATOM 806 CE LYS A 49 -0.924 -27.614 -4.029 1.00 64.21 C ATOM 807 NZ LYS A 49 -2.062 -28.567 -3.906 1.00 62.40 N1+ ATOM 0 H LYS A 49 3.021 -27.074 -6.149 1.00 53.41 H new ATOM 0 HA LYS A 49 3.094 -29.241 -8.052 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.810 -29.666 -7.158 1.00 43.22 H new ATOM 0 HB3 LYS A 49 2.026 -29.561 -5.900 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.224 -26.968 -5.950 1.00 30.32 H new ATOM 0 HG3 LYS A 49 -0.254 -27.733 -6.501 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.216 -29.382 -4.458 1.00 53.45 H new ATOM 0 HD3 LYS A 49 1.174 -28.039 -3.867 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -0.733 -27.150 -3.061 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -1.193 -26.814 -4.719 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -2.905 -28.059 -3.569 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -2.261 -28.992 -4.834 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.816 -29.316 -3.228 1.00 62.40 H new ATOM 821 N ASN A 50 1.190 -26.592 -8.582 1.00 2.35 N ATOM 822 CA ASN A 50 0.450 -25.868 -9.610 1.00 41.40 C ATOM 823 C ASN A 50 1.346 -24.850 -10.309 1.00 40.41 C ATOM 824 O ASN A 50 0.924 -24.176 -11.250 1.00 2.41 O ATOM 825 CB ASN A 50 -0.760 -25.161 -8.995 1.00 14.33 C ATOM 826 CG ASN A 50 -2.068 -25.606 -9.621 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.278 -25.450 -10.823 1.00 4.24 O ATOM 828 ND2 ASN A 50 -2.954 -26.164 -8.804 1.00 4.23 N ATOM 0 H ASN A 50 1.240 -26.114 -7.682 1.00 2.35 H new ATOM 0 HA ASN A 50 0.103 -26.590 -10.349 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.787 -25.359 -7.923 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.649 -24.084 -9.118 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.852 -26.484 -9.167 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.736 -26.273 -7.813 1.00 4.23 H new ATOM 835 N VAL A 51 2.587 -24.743 -9.844 1.00 64.11 N ATOM 836 CA VAL A 51 3.543 -23.809 -10.426 1.00 54.52 C ATOM 837 C VAL A 51 3.153 -22.367 -10.128 1.00 42.10 C ATOM 838 O VAL A 51 3.123 -21.521 -11.023 1.00 10.33 O ATOM 839 CB VAL A 51 3.654 -23.995 -11.951 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.921 -23.339 -12.479 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.619 -25.473 -12.311 1.00 50.43 C ATOM 0 H VAL A 51 2.953 -25.292 -9.066 1.00 64.11 H new ATOM 0 HA VAL A 51 4.510 -24.022 -9.971 1.00 54.52 H new ATOM 0 HB VAL A 51 2.799 -23.509 -12.422 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.982 -23.481 -13.558 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.900 -22.273 -12.254 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.791 -23.793 -12.004 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.698 -25.586 -13.392 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.453 -25.984 -11.830 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.680 -25.909 -11.969 1.00 50.43 H new ATOM 851 N LYS A 52 2.855 -22.089 -8.863 1.00 54.43 N ATOM 852 CA LYS A 52 2.468 -20.747 -8.444 1.00 32.42 C ATOM 853 C LYS A 52 2.910 -20.476 -7.010 1.00 50.21 C ATOM 854 O LYS A 52 3.250 -21.400 -6.269 1.00 11.15 O ATOM 855 CB LYS A 52 0.952 -20.570 -8.564 1.00 21.22 C ATOM 856 CG LYS A 52 0.513 -19.972 -9.889 1.00 10.13 C ATOM 857 CD LYS A 52 -0.952 -20.264 -10.173 1.00 32.21 C ATOM 858 CE LYS A 52 -1.858 -19.638 -9.125 1.00 73.31 C ATOM 859 NZ LYS A 52 -3.231 -19.398 -9.650 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.874 -22.776 -8.110 1.00 54.43 H new ATOM 0 HA LYS A 52 2.964 -20.032 -9.100 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.470 -21.539 -8.435 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.604 -19.930 -7.753 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.674 -18.894 -9.874 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.128 -20.375 -10.693 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -1.216 -19.881 -11.159 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.111 -21.342 -10.196 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.911 -20.291 -8.254 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.427 -18.694 -8.790 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -3.818 -18.970 -8.905 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -3.183 -18.754 -10.465 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -3.652 -20.302 -9.946 1.00 35.03 H new ATOM 873 N LEU A 53 2.902 -19.205 -6.623 1.00 61.23 N ATOM 874 CA LEU A 53 3.300 -18.813 -5.276 1.00 12.34 C ATOM 875 C LEU A 53 2.157 -18.108 -4.553 1.00 64.35 C ATOM 876 O LEU A 53 1.435 -17.306 -5.145 1.00 64.45 O ATOM 877 CB LEU A 53 4.524 -17.897 -5.331 1.00 22.14 C ATOM 878 CG LEU A 53 5.880 -18.576 -5.126 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.952 -17.888 -5.955 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.259 -18.574 -3.651 1.00 42.33 C ATOM 0 H LEU A 53 2.624 -18.429 -7.223 1.00 61.23 H new ATOM 0 HA LEU A 53 3.554 -19.717 -4.722 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.534 -17.395 -6.298 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.409 -17.124 -4.572 1.00 22.14 H new ATOM 0 HG LEU A 53 5.801 -19.611 -5.459 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.909 -18.385 -5.796 1.00 71.22 H new ATOM 0 HD12 LEU A 53 6.686 -17.942 -7.011 1.00 71.22 H new ATOM 0 HD13 LEU A 53 7.031 -16.844 -5.653 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.226 -19.061 -3.523 1.00 42.33 H new ATOM 0 HD22 LEU A 53 6.320 -17.546 -3.292 1.00 42.33 H new ATOM 0 HD23 LEU A 53 5.503 -19.113 -3.080 1.00 42.33 H new ATOM 892 N VAL A 54 1.998 -18.413 -3.268 1.00 5.45 N ATOM 893 CA VAL A 54 0.945 -17.806 -2.463 1.00 41.23 C ATOM 894 C VAL A 54 1.443 -17.483 -1.059 1.00 45.12 C ATOM 895 O VAL A 54 2.507 -17.944 -0.647 1.00 72.40 O ATOM 896 CB VAL A 54 -0.284 -18.728 -2.360 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.749 -19.157 -3.743 1.00 71.10 C ATOM 898 CG2 VAL A 54 0.031 -19.941 -1.496 1.00 11.01 C ATOM 0 H VAL A 54 2.585 -19.077 -2.763 1.00 5.45 H new ATOM 0 HA VAL A 54 0.656 -16.882 -2.964 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.094 -18.172 -1.887 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.618 -19.808 -3.649 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.017 -18.276 -4.326 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.054 -19.695 -4.246 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -0.849 -20.582 -1.434 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.856 -20.499 -1.939 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.312 -19.612 -0.495 1.00 11.01 H new ATOM 908 N GLU A 55 0.667 -16.688 -0.329 1.00 21.23 N ATOM 909 CA GLU A 55 1.030 -16.302 1.029 1.00 34.21 C ATOM 910 C GLU A 55 0.181 -17.051 2.052 1.00 31.12 C ATOM 911 O GLU A 55 -1.010 -16.779 2.204 1.00 24.40 O ATOM 912 CB GLU A 55 0.863 -14.794 1.217 1.00 60.31 C ATOM 913 CG GLU A 55 -0.450 -14.254 0.674 1.00 21.34 C ATOM 914 CD GLU A 55 -0.379 -13.929 -0.805 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.361 -12.993 -1.172 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.066 -14.610 -1.596 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.217 -16.299 -0.656 1.00 21.23 H new ATOM 0 HA GLU A 55 2.076 -16.566 1.187 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.931 -14.559 2.279 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.689 -14.281 0.724 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.238 -14.987 0.844 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -0.726 -13.356 1.227 1.00 21.34 H new ATOM 923 N SER A 56 0.804 -17.995 2.751 1.00 73.41 N ATOM 924 CA SER A 56 0.105 -18.786 3.757 1.00 43.24 C ATOM 925 C SER A 56 1.092 -19.594 4.595 1.00 1.33 C ATOM 926 O SER A 56 2.275 -19.680 4.268 1.00 11.10 O ATOM 927 CB SER A 56 -0.903 -19.724 3.090 1.00 44.34 C ATOM 928 OG SER A 56 -2.220 -19.213 3.192 1.00 12.25 O ATOM 0 H SER A 56 1.790 -18.230 2.639 1.00 73.41 H new ATOM 0 HA SER A 56 -0.429 -18.101 4.416 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.641 -19.857 2.040 1.00 44.34 H new ATOM 0 HB3 SER A 56 -0.854 -20.707 3.558 1.00 44.34 H new ATOM 0 HG SER A 56 -2.230 -18.275 2.907 1.00 12.25 H new ATOM 934 N ASP A 57 0.596 -20.184 5.677 1.00 31.32 N ATOM 935 CA ASP A 57 1.432 -20.986 6.562 1.00 71.22 C ATOM 936 C ASP A 57 0.804 -22.355 6.809 1.00 51.13 C ATOM 937 O ASP A 57 -0.268 -22.459 7.406 1.00 50.20 O ATOM 938 CB ASP A 57 1.646 -20.262 7.891 1.00 63.23 C ATOM 939 CG ASP A 57 1.834 -21.221 9.050 1.00 3.54 C ATOM 940 OD1 ASP A 57 2.991 -21.604 9.322 1.00 34.13 O ATOM 941 OD2 ASP A 57 0.822 -21.588 9.686 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.381 -20.122 5.962 1.00 31.32 H new ATOM 0 HA ASP A 57 2.397 -21.131 6.077 1.00 71.22 H new ATOM 0 HB2 ASP A 57 2.520 -19.616 7.813 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.790 -19.617 8.092 1.00 63.23 H new ATOM 946 N ASP A 58 1.480 -23.401 6.347 1.00 42.15 N ATOM 947 CA ASP A 58 0.989 -24.764 6.518 1.00 13.22 C ATOM 948 C ASP A 58 2.135 -25.768 6.442 1.00 50.02 C ATOM 949 O ASP A 58 3.265 -25.410 6.113 1.00 32.03 O ATOM 950 CB ASP A 58 -0.062 -25.088 5.454 1.00 32.33 C ATOM 951 CG ASP A 58 -1.035 -23.947 5.236 1.00 34.24 C ATOM 952 OD1 ASP A 58 -2.013 -23.845 6.007 1.00 62.33 O ATOM 953 OD2 ASP A 58 -0.820 -23.154 4.295 1.00 21.22 O1- ATOM 0 H ASP A 58 2.369 -23.332 5.852 1.00 42.15 H new ATOM 0 HA ASP A 58 0.530 -24.838 7.504 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.437 -25.321 4.513 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.613 -25.980 5.752 1.00 32.33 H new ATOM 958 N ALA A 59 1.835 -27.025 6.748 1.00 54.42 N ATOM 959 CA ALA A 59 2.839 -28.081 6.713 1.00 64.04 C ATOM 960 C ALA A 59 3.633 -28.040 5.412 1.00 23.53 C ATOM 961 O ALA A 59 3.121 -27.624 4.374 1.00 64.14 O ATOM 962 CB ALA A 59 2.181 -29.442 6.890 1.00 20.01 C ATOM 0 H ALA A 59 0.904 -27.338 7.023 1.00 54.42 H new ATOM 0 HA ALA A 59 3.533 -27.916 7.537 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.943 -30.221 6.862 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.664 -29.474 7.849 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.464 -29.607 6.086 1.00 20.01 H new ATOM 968 N ALA A 60 4.887 -28.475 5.476 1.00 25.42 N ATOM 969 CA ALA A 60 5.752 -28.489 4.302 1.00 52.24 C ATOM 970 C ALA A 60 7.051 -29.234 4.586 1.00 52.10 C ATOM 971 O ALA A 60 7.578 -29.180 5.697 1.00 32.51 O ATOM 972 CB ALA A 60 6.045 -27.067 3.845 1.00 60.25 C ATOM 0 H ALA A 60 5.327 -28.822 6.328 1.00 25.42 H new ATOM 0 HA ALA A 60 5.230 -29.015 3.503 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.692 -27.093 2.968 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.110 -26.566 3.592 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.543 -26.522 4.647 1.00 60.25 H new ATOM 978 N GLU A 61 7.563 -29.929 3.575 1.00 12.15 N ATOM 979 CA GLU A 61 8.801 -30.687 3.718 1.00 60.24 C ATOM 980 C GLU A 61 9.979 -29.756 3.992 1.00 60.45 C ATOM 981 O GLU A 61 11.051 -30.199 4.406 1.00 34.32 O ATOM 982 CB GLU A 61 9.070 -31.512 2.458 1.00 40.01 C ATOM 983 CG GLU A 61 8.842 -33.002 2.646 1.00 60.43 C ATOM 984 CD GLU A 61 9.813 -33.621 3.632 1.00 63.55 C ATOM 985 OE1 GLU A 61 11.034 -33.430 3.460 1.00 10.35 O ATOM 986 OE2 GLU A 61 9.351 -34.295 4.576 1.00 4.32 O1- ATOM 0 H GLU A 61 7.140 -29.983 2.648 1.00 12.15 H new ATOM 0 HA GLU A 61 8.688 -31.362 4.566 1.00 60.24 H new ATOM 0 HB2 GLU A 61 8.427 -31.153 1.655 1.00 40.01 H new ATOM 0 HB3 GLU A 61 10.099 -31.348 2.139 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.822 -33.169 2.993 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.938 -33.505 1.684 1.00 60.43 H new ATOM 993 N ALA A 62 9.773 -28.464 3.756 1.00 4.02 N ATOM 994 CA ALA A 62 10.816 -27.471 3.977 1.00 60.23 C ATOM 995 C ALA A 62 10.230 -26.170 4.517 1.00 52.32 C ATOM 996 O ALA A 62 9.080 -25.832 4.238 1.00 12.21 O ATOM 997 CB ALA A 62 11.581 -27.213 2.688 1.00 14.02 C ATOM 0 H ALA A 62 8.893 -28.081 3.412 1.00 4.02 H new ATOM 0 HA ALA A 62 11.506 -27.865 4.723 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.357 -26.469 2.868 1.00 14.02 H new ATOM 0 HB2 ALA A 62 12.040 -28.140 2.345 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.895 -26.844 1.925 1.00 14.02 H new ATOM 1003 N THR A 63 11.029 -25.444 5.293 1.00 64.23 N ATOM 1004 CA THR A 63 10.589 -24.181 5.873 1.00 11.41 C ATOM 1005 C THR A 63 11.709 -23.148 5.854 1.00 73.24 C ATOM 1006 O THR A 63 12.858 -23.456 6.175 1.00 53.04 O ATOM 1007 CB THR A 63 10.103 -24.369 7.322 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.969 -25.242 7.350 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.735 -23.031 7.947 1.00 45.10 C ATOM 0 H THR A 63 11.984 -25.709 5.534 1.00 64.23 H new ATOM 0 HA THR A 63 9.760 -23.824 5.263 1.00 11.41 H new ATOM 0 HB THR A 63 10.915 -24.811 7.899 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.766 -25.485 8.277 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.395 -23.189 8.970 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.609 -22.379 7.952 1.00 45.10 H new ATOM 0 HG23 THR A 63 8.938 -22.566 7.367 1.00 45.10 H new ATOM 1017 N LEU A 64 11.369 -21.920 5.478 1.00 31.21 N ATOM 1018 CA LEU A 64 12.346 -20.840 5.417 1.00 23.22 C ATOM 1019 C LEU A 64 11.847 -19.611 6.170 1.00 10.31 C ATOM 1020 O LEU A 64 10.979 -18.882 5.687 1.00 34.35 O ATOM 1021 CB LEU A 64 12.643 -20.474 3.963 1.00 42.20 C ATOM 1022 CG LEU A 64 13.104 -21.622 3.063 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.012 -21.992 2.070 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.386 -21.247 2.334 1.00 33.52 C ATOM 0 H LEU A 64 10.423 -21.648 5.211 1.00 31.21 H new ATOM 0 HA LEU A 64 13.263 -21.188 5.892 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.744 -20.036 3.528 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.411 -19.700 3.953 1.00 42.20 H new ATOM 0 HG LEU A 64 13.307 -22.491 3.689 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.357 -22.810 1.438 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.118 -22.303 2.611 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.777 -21.128 1.449 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.699 -22.076 1.699 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.210 -20.364 1.719 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.169 -21.032 3.062 1.00 33.52 H new ATOM 1036 N THR A 65 12.401 -19.384 7.357 1.00 71.33 N ATOM 1037 CA THR A 65 12.013 -18.243 8.177 1.00 73.12 C ATOM 1038 C THR A 65 13.150 -17.234 8.288 1.00 14.11 C ATOM 1039 O THR A 65 14.314 -17.610 8.427 1.00 44.01 O ATOM 1040 CB THR A 65 11.592 -18.684 9.592 1.00 74.44 C ATOM 1041 OG1 THR A 65 10.569 -19.684 9.509 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.087 -17.499 10.400 1.00 42.34 C ATOM 0 H THR A 65 13.120 -19.976 7.772 1.00 71.33 H new ATOM 0 HA THR A 65 11.162 -17.774 7.683 1.00 73.12 H new ATOM 0 HB THR A 65 12.465 -19.100 10.095 1.00 74.44 H new ATOM 0 HG1 THR A 65 10.308 -19.961 10.412 1.00 70.01 H new ATOM 0 HG21 THR A 65 10.796 -17.835 11.395 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.878 -16.754 10.486 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.225 -17.058 9.899 1.00 42.34 H new ATOM 1050 N MET A 66 12.806 -15.952 8.229 1.00 44.23 N ATOM 1051 CA MET A 66 13.799 -14.888 8.327 1.00 35.33 C ATOM 1052 C MET A 66 13.147 -13.519 8.165 1.00 74.32 C ATOM 1053 O MET A 66 11.924 -13.411 8.081 1.00 1.23 O ATOM 1054 CB MET A 66 14.884 -15.078 7.265 1.00 73.33 C ATOM 1055 CG MET A 66 14.374 -15.702 5.977 1.00 31.14 C ATOM 1056 SD MET A 66 13.013 -14.771 5.246 1.00 74.11 S ATOM 1057 CE MET A 66 13.596 -14.586 3.562 1.00 64.32 C ATOM 0 H MET A 66 11.847 -15.624 8.114 1.00 44.23 H new ATOM 0 HA MET A 66 14.254 -14.938 9.316 1.00 35.33 H new ATOM 0 HB2 MET A 66 15.331 -14.110 7.038 1.00 73.33 H new ATOM 0 HB3 MET A 66 15.675 -15.706 7.675 1.00 73.33 H new ATOM 0 HG2 MET A 66 15.192 -15.766 5.260 1.00 31.14 H new ATOM 0 HG3 MET A 66 14.045 -16.722 6.177 1.00 31.14 H new ATOM 0 HE1 MET A 66 13.655 -13.527 3.312 1.00 64.32 H new ATOM 0 HE2 MET A 66 14.584 -15.037 3.467 1.00 64.32 H new ATOM 0 HE3 MET A 66 12.904 -15.081 2.881 1.00 64.32 H new ATOM 1067 N GLU A 67 13.972 -12.477 8.123 1.00 74.44 N ATOM 1068 CA GLU A 67 13.473 -11.115 7.973 1.00 65.21 C ATOM 1069 C GLU A 67 13.144 -10.814 6.515 1.00 21.25 C ATOM 1070 O GLU A 67 13.626 -11.490 5.606 1.00 71.54 O ATOM 1071 CB GLU A 67 14.504 -10.111 8.493 1.00 61.44 C ATOM 1072 CG GLU A 67 14.592 -10.058 10.010 1.00 20.41 C ATOM 1073 CD GLU A 67 15.433 -8.898 10.505 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.408 -7.829 9.858 1.00 70.53 O ATOM 1075 OE2 GLU A 67 16.114 -9.057 11.538 1.00 14.41 O1- ATOM 0 H GLU A 67 14.987 -12.550 8.191 1.00 74.44 H new ATOM 0 HA GLU A 67 12.559 -11.023 8.560 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.484 -10.367 8.089 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.254 -9.119 8.117 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.588 -9.977 10.426 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.016 -10.992 10.379 1.00 20.41 H new ATOM 1082 N ASP A 68 12.319 -9.795 6.299 1.00 21.12 N ATOM 1083 CA ASP A 68 11.926 -9.402 4.951 1.00 71.10 C ATOM 1084 C ASP A 68 13.133 -8.929 4.147 1.00 24.42 C ATOM 1085 O ASP A 68 13.304 -9.302 2.987 1.00 74.24 O ATOM 1086 CB ASP A 68 10.870 -8.298 5.006 1.00 64.02 C ATOM 1087 CG ASP A 68 9.572 -8.702 4.332 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.626 -9.173 3.177 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 8.503 -8.546 4.960 1.00 12.13 O ATOM 0 H ASP A 68 11.910 -9.226 7.040 1.00 21.12 H new ATOM 0 HA ASP A 68 11.502 -10.275 4.455 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.671 -8.042 6.047 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.261 -7.401 4.526 1.00 64.02 H new ATOM 1094 N ASP A 69 13.966 -8.105 4.772 1.00 45.41 N ATOM 1095 CA ASP A 69 15.158 -7.580 4.117 1.00 14.54 C ATOM 1096 C ASP A 69 15.962 -8.705 3.470 1.00 22.43 C ATOM 1097 O ASP A 69 16.722 -8.475 2.528 1.00 53.21 O ATOM 1098 CB ASP A 69 16.030 -6.826 5.122 1.00 1.15 C ATOM 1099 CG ASP A 69 15.570 -5.396 5.328 1.00 54.42 C ATOM 1100 OD1 ASP A 69 14.528 -5.019 4.752 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 16.253 -4.653 6.065 1.00 74.02 O ATOM 0 H ASP A 69 13.838 -7.786 5.732 1.00 45.41 H new ATOM 0 HA ASP A 69 14.839 -6.889 3.336 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.015 -7.351 6.077 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.063 -6.826 4.774 1.00 1.15 H new ATOM 1106 N ILE A 70 15.791 -9.917 3.983 1.00 1.14 N ATOM 1107 CA ILE A 70 16.501 -11.077 3.455 1.00 43.35 C ATOM 1108 C ILE A 70 15.981 -11.457 2.074 1.00 31.44 C ATOM 1109 O ILE A 70 16.685 -12.089 1.287 1.00 24.31 O ATOM 1110 CB ILE A 70 16.371 -12.292 4.394 1.00 13.31 C ATOM 1111 CG1 ILE A 70 16.894 -11.944 5.789 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.121 -13.484 3.822 1.00 11.14 C ATOM 1113 CD1 ILE A 70 18.221 -11.219 5.774 1.00 73.31 C ATOM 0 H ILE A 70 15.167 -10.123 4.764 1.00 1.14 H new ATOM 0 HA ILE A 70 17.552 -10.797 3.380 1.00 43.35 H new ATOM 0 HB ILE A 70 15.317 -12.558 4.479 1.00 13.31 H new ATOM 0 HG12 ILE A 70 16.157 -11.325 6.300 1.00 2.20 H new ATOM 0 HG13 ILE A 70 16.997 -12.861 6.369 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.020 -14.335 4.496 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.706 -13.742 2.848 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.176 -13.231 3.712 1.00 11.14 H new ATOM 0 HD11 ILE A 70 18.530 -11.005 6.797 1.00 73.31 H new ATOM 0 HD12 ILE A 70 18.972 -11.845 5.292 1.00 73.31 H new ATOM 0 HD13 ILE A 70 18.119 -10.284 5.222 1.00 73.31 H new ATOM 1125 N MET A 71 14.744 -11.067 1.785 1.00 71.51 N ATOM 1126 CA MET A 71 14.131 -11.365 0.495 1.00 43.30 C ATOM 1127 C MET A 71 14.911 -10.714 -0.642 1.00 65.43 C ATOM 1128 O MET A 71 15.266 -11.371 -1.620 1.00 75.00 O ATOM 1129 CB MET A 71 12.679 -10.883 0.474 1.00 72.31 C ATOM 1130 CG MET A 71 11.810 -11.616 -0.536 1.00 1.33 C ATOM 1131 SD MET A 71 11.579 -13.355 -0.121 1.00 74.13 S ATOM 1132 CE MET A 71 10.856 -13.220 1.513 1.00 31.24 C ATOM 0 H MET A 71 14.147 -10.544 2.426 1.00 71.51 H new ATOM 0 HA MET A 71 14.151 -12.445 0.353 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.249 -11.006 1.468 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.662 -9.816 0.250 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.837 -11.128 -0.594 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.265 -11.539 -1.524 1.00 1.33 H new ATOM 0 HE1 MET A 71 10.352 -14.153 1.766 1.00 31.24 H new ATOM 0 HE2 MET A 71 11.641 -13.022 2.243 1.00 31.24 H new ATOM 0 HE3 MET A 71 10.134 -12.403 1.525 1.00 31.24 H new ATOM 1142 N PHE A 72 15.175 -9.418 -0.507 1.00 41.54 N ATOM 1143 CA PHE A 72 15.912 -8.678 -1.523 1.00 22.30 C ATOM 1144 C PHE A 72 17.397 -9.027 -1.480 1.00 43.01 C ATOM 1145 O PHE A 72 18.094 -8.951 -2.492 1.00 63.32 O ATOM 1146 CB PHE A 72 15.725 -7.172 -1.325 1.00 44.00 C ATOM 1147 CG PHE A 72 16.541 -6.611 -0.196 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.912 -6.458 -0.323 1.00 61.23 C ATOM 1149 CD2 PHE A 72 15.935 -6.234 0.993 1.00 2.12 C ATOM 1150 CE1 PHE A 72 18.664 -5.943 0.716 1.00 44.43 C ATOM 1151 CE2 PHE A 72 16.683 -5.718 2.035 1.00 51.42 C ATOM 1152 CZ PHE A 72 18.050 -5.570 1.895 1.00 61.11 C ATOM 0 H PHE A 72 14.889 -8.859 0.297 1.00 41.54 H new ATOM 0 HA PHE A 72 15.518 -8.961 -2.499 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.992 -6.656 -2.247 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.671 -6.966 -1.138 1.00 44.00 H new ATOM 0 HD1 PHE A 72 18.398 -6.744 -1.244 1.00 61.23 H new ATOM 0 HD2 PHE A 72 14.867 -6.345 1.106 1.00 2.12 H new ATOM 0 HE1 PHE A 72 19.733 -5.832 0.606 1.00 44.43 H new ATOM 0 HE2 PHE A 72 16.200 -5.431 2.957 1.00 51.42 H new ATOM 0 HZ PHE A 72 18.636 -5.164 2.706 1.00 61.11 H new ATOM 1162 N ALA A 73 17.875 -9.410 -0.301 1.00 72.11 N ATOM 1163 CA ALA A 73 19.276 -9.773 -0.125 1.00 15.10 C ATOM 1164 C ALA A 73 19.602 -11.073 -0.851 1.00 3.03 C ATOM 1165 O ALA A 73 20.465 -11.106 -1.729 1.00 20.54 O ATOM 1166 CB ALA A 73 19.609 -9.894 1.355 1.00 40.23 C ATOM 0 H ALA A 73 17.312 -9.477 0.547 1.00 72.11 H new ATOM 0 HA ALA A 73 19.887 -8.982 -0.560 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.658 -10.166 1.471 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.424 -8.940 1.849 1.00 40.23 H new ATOM 0 HB3 ALA A 73 18.983 -10.663 1.807 1.00 40.23 H new ATOM 1172 N ILE A 74 18.907 -12.143 -0.479 1.00 62.02 N ATOM 1173 CA ILE A 74 19.122 -13.446 -1.095 1.00 2.11 C ATOM 1174 C ILE A 74 18.423 -13.538 -2.447 1.00 5.14 C ATOM 1175 O ILE A 74 18.964 -14.095 -3.401 1.00 43.34 O ATOM 1176 CB ILE A 74 18.618 -14.587 -0.190 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.513 -14.723 1.043 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.571 -15.896 -0.965 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.050 -15.788 2.011 1.00 30.22 C ATOM 0 H ILE A 74 18.190 -12.133 0.246 1.00 62.02 H new ATOM 0 HA ILE A 74 20.197 -13.554 -1.237 1.00 2.11 H new ATOM 0 HB ILE A 74 17.608 -14.348 0.143 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.529 -14.953 0.721 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.552 -13.765 1.561 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.213 -16.692 -0.313 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.896 -15.792 -1.814 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.570 -16.142 -1.324 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.732 -15.829 2.861 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.046 -15.549 2.362 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.038 -16.755 1.509 1.00 30.22 H new ATOM 1191 N GLY A 75 17.216 -12.984 -2.522 1.00 3.13 N ATOM 1192 CA GLY A 75 16.462 -13.012 -3.761 1.00 32.31 C ATOM 1193 C GLY A 75 17.277 -12.533 -4.946 1.00 1.25 C ATOM 1194 O GLY A 75 17.201 -13.104 -6.035 1.00 54.01 O ATOM 0 H GLY A 75 16.747 -12.516 -1.746 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.116 -14.028 -3.949 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.575 -12.387 -3.657 1.00 32.31 H new ATOM 1198 N THR A 76 18.060 -11.478 -4.737 1.00 53.52 N ATOM 1199 CA THR A 76 18.890 -10.920 -5.796 1.00 44.22 C ATOM 1200 C THR A 76 20.234 -11.637 -5.876 1.00 51.23 C ATOM 1201 O THR A 76 20.985 -11.461 -6.835 1.00 5.23 O ATOM 1202 CB THR A 76 19.135 -9.415 -5.584 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.874 -9.204 -4.376 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.818 -8.656 -5.517 1.00 74.33 C ATOM 0 H THR A 76 18.136 -10.993 -3.843 1.00 53.52 H new ATOM 0 HA THR A 76 18.348 -11.063 -6.731 1.00 44.22 H new ATOM 0 HB THR A 76 19.710 -9.041 -6.431 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.281 -9.322 -3.605 1.00 43.24 H new ATOM 0 HG21 THR A 76 18.017 -7.595 -5.367 1.00 74.33 H new ATOM 0 HG22 THR A 76 17.271 -8.794 -6.449 1.00 74.33 H new ATOM 0 HG23 THR A 76 17.222 -9.034 -4.687 1.00 74.33 H new ATOM 1212 N GLY A 77 20.530 -12.446 -4.864 1.00 1.41 N ATOM 1213 CA GLY A 77 21.784 -13.177 -4.840 1.00 40.44 C ATOM 1214 C GLY A 77 22.956 -12.304 -4.438 1.00 21.42 C ATOM 1215 O GLY A 77 24.102 -12.603 -4.768 1.00 72.34 O ATOM 0 H GLY A 77 19.924 -12.609 -4.060 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.701 -14.012 -4.144 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.972 -13.602 -5.826 1.00 40.44 H new ATOM 1219 N ALA A 78 22.668 -11.221 -3.724 1.00 14.03 N ATOM 1220 CA ALA A 78 23.707 -10.302 -3.276 1.00 4.53 C ATOM 1221 C ALA A 78 24.592 -10.949 -2.216 1.00 51.42 C ATOM 1222 O ALA A 78 25.817 -10.831 -2.260 1.00 12.13 O ATOM 1223 CB ALA A 78 23.083 -9.023 -2.737 1.00 15.31 C ATOM 0 H ALA A 78 21.723 -10.958 -3.443 1.00 14.03 H new ATOM 0 HA ALA A 78 24.334 -10.055 -4.133 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.870 -8.346 -2.406 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.499 -8.544 -3.523 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.432 -9.262 -1.896 1.00 15.31 H new ATOM 1229 N LEU A 79 23.965 -11.633 -1.265 1.00 34.13 N ATOM 1230 CA LEU A 79 24.697 -12.298 -0.193 1.00 54.32 C ATOM 1231 C LEU A 79 24.466 -13.806 -0.232 1.00 62.35 C ATOM 1232 O LEU A 79 23.414 -14.288 -0.650 1.00 75.14 O ATOM 1233 CB LEU A 79 24.268 -11.741 1.165 1.00 45.25 C ATOM 1234 CG LEU A 79 24.502 -10.244 1.381 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.598 -9.717 2.484 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.962 -9.974 1.710 1.00 23.31 C ATOM 0 H LEU A 79 22.952 -11.741 -1.215 1.00 34.13 H new ATOM 0 HA LEU A 79 25.760 -12.107 -0.338 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.206 -11.946 1.300 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.800 -12.288 1.944 1.00 45.25 H new ATOM 0 HG LEU A 79 24.257 -9.720 0.457 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.778 -8.651 2.624 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.556 -9.876 2.207 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.811 -10.246 3.413 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.109 -8.905 1.860 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.235 -10.509 2.619 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.590 -10.315 0.886 1.00 23.31 H new ATOM 1248 N PRO A 80 25.474 -14.569 0.217 1.00 14.00 N ATOM 1249 CA PRO A 80 25.405 -16.034 0.246 1.00 41.14 C ATOM 1250 C PRO A 80 24.421 -16.547 1.291 1.00 21.40 C ATOM 1251 O PRO A 80 24.449 -16.121 2.446 1.00 0.41 O ATOM 1252 CB PRO A 80 26.833 -16.449 0.607 1.00 72.45 C ATOM 1253 CG PRO A 80 27.394 -15.280 1.342 1.00 25.51 C ATOM 1254 CD PRO A 80 26.758 -14.062 0.730 1.00 63.44 C ATOM 0 HA PRO A 80 25.054 -16.444 -0.701 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.840 -17.346 1.226 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.418 -16.673 -0.285 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.170 -15.344 2.407 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.479 -15.243 1.247 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.613 -13.272 1.466 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.373 -13.645 -0.068 1.00 63.44 H new ATOM 1262 N ALA A 81 23.551 -17.463 0.880 1.00 32.45 N ATOM 1263 CA ALA A 81 22.559 -18.036 1.782 1.00 0.14 C ATOM 1264 C ALA A 81 23.227 -18.851 2.884 1.00 23.15 C ATOM 1265 O ALA A 81 22.692 -18.982 3.985 1.00 35.22 O ATOM 1266 CB ALA A 81 21.577 -18.899 1.006 1.00 1.12 C ATOM 0 H ALA A 81 23.513 -17.825 -0.073 1.00 32.45 H new ATOM 0 HA ALA A 81 22.013 -17.217 2.251 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.842 -19.320 1.692 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.069 -18.290 0.259 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.115 -19.707 0.510 1.00 1.12 H new ATOM 1272 N LYS A 82 24.399 -19.400 2.581 1.00 52.31 N ATOM 1273 CA LYS A 82 25.140 -20.203 3.547 1.00 64.02 C ATOM 1274 C LYS A 82 25.721 -19.327 4.651 1.00 31.13 C ATOM 1275 O LYS A 82 25.448 -19.541 5.832 1.00 60.00 O ATOM 1276 CB LYS A 82 26.264 -20.970 2.846 1.00 15.40 C ATOM 1277 CG LYS A 82 26.096 -22.478 2.897 1.00 55.43 C ATOM 1278 CD LYS A 82 27.438 -23.189 2.927 1.00 25.31 C ATOM 1279 CE LYS A 82 27.333 -24.553 3.592 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.357 -25.503 3.075 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.856 -19.303 1.674 1.00 52.31 H new ATOM 0 HA LYS A 82 24.448 -20.914 3.998 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.313 -20.654 1.804 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.216 -20.703 3.306 1.00 15.40 H new ATOM 0 HG2 LYS A 82 25.519 -22.751 3.781 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.526 -22.811 2.029 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.811 -23.307 1.910 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.163 -22.577 3.463 1.00 25.31 H new ATOM 0 HE2 LYS A 82 27.452 -24.442 4.670 1.00 43.03 H new ATOM 0 HE3 LYS A 82 26.338 -24.964 3.422 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.252 -26.421 3.553 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.228 -25.629 2.051 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.307 -25.123 3.260 1.00 1.31 H new ATOM 1294 N GLU A 83 26.521 -18.339 4.260 1.00 54.33 N ATOM 1295 CA GLU A 83 27.138 -17.432 5.219 1.00 72.13 C ATOM 1296 C GLU A 83 26.078 -16.633 5.972 1.00 22.30 C ATOM 1297 O GLU A 83 26.127 -16.516 7.196 1.00 41.13 O ATOM 1298 CB GLU A 83 28.100 -16.478 4.507 1.00 33.31 C ATOM 1299 CG GLU A 83 29.378 -16.210 5.284 1.00 73.20 C ATOM 1300 CD GLU A 83 30.492 -17.176 4.927 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.548 -17.611 3.758 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 31.307 -17.495 5.817 1.00 4.11 O ATOM 0 H GLU A 83 26.756 -18.147 3.286 1.00 54.33 H new ATOM 0 HA GLU A 83 27.697 -18.031 5.938 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.357 -16.895 3.533 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.591 -15.532 4.324 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.710 -15.190 5.089 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.171 -16.279 6.352 1.00 73.20 H new ATOM 1309 N ALA A 84 25.121 -16.085 5.231 1.00 31.35 N ATOM 1310 CA ALA A 84 24.049 -15.298 5.827 1.00 33.22 C ATOM 1311 C ALA A 84 23.387 -16.054 6.975 1.00 0.53 C ATOM 1312 O ALA A 84 23.263 -15.532 8.083 1.00 54.02 O ATOM 1313 CB ALA A 84 23.016 -14.928 4.772 1.00 63.32 C ATOM 0 H ALA A 84 25.066 -16.172 4.216 1.00 31.35 H new ATOM 0 HA ALA A 84 24.484 -14.384 6.230 1.00 33.22 H new ATOM 0 HB1 ALA A 84 22.221 -14.340 5.231 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.492 -14.342 3.986 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.594 -15.836 4.342 1.00 63.32 H new ATOM 1319 N MET A 85 22.965 -17.284 6.703 1.00 15.31 N ATOM 1320 CA MET A 85 22.317 -18.110 7.714 1.00 72.33 C ATOM 1321 C MET A 85 23.329 -18.600 8.746 1.00 13.11 C ATOM 1322 O MET A 85 22.976 -18.875 9.892 1.00 65.35 O ATOM 1323 CB MET A 85 21.621 -19.304 7.058 1.00 14.13 C ATOM 1324 CG MET A 85 20.248 -18.973 6.497 1.00 2.33 C ATOM 1325 SD MET A 85 19.692 -20.171 5.268 1.00 30.31 S ATOM 1326 CE MET A 85 19.782 -19.188 3.773 1.00 34.22 C ATOM 0 H MET A 85 23.060 -17.731 5.791 1.00 15.31 H new ATOM 0 HA MET A 85 21.572 -17.499 8.224 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.251 -19.685 6.254 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.522 -20.104 7.791 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.526 -18.934 7.313 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.274 -17.981 6.046 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.068 -19.825 2.936 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.809 -18.740 3.573 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.525 -18.400 3.900 1.00 34.22 H new ATOM 1336 N ALA A 86 24.586 -18.708 8.330 1.00 22.40 N ATOM 1337 CA ALA A 86 25.649 -19.163 9.218 1.00 24.14 C ATOM 1338 C ALA A 86 25.943 -18.127 10.297 1.00 44.20 C ATOM 1339 O ALA A 86 26.470 -18.457 11.359 1.00 35.33 O ATOM 1340 CB ALA A 86 26.907 -19.472 8.421 1.00 41.43 C ATOM 0 H ALA A 86 24.894 -18.487 7.383 1.00 22.40 H new ATOM 0 HA ALA A 86 25.312 -20.075 9.710 1.00 24.14 H new ATOM 0 HB1 ALA A 86 27.692 -19.811 9.097 1.00 41.43 H new ATOM 0 HB2 ALA A 86 26.693 -20.254 7.693 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.238 -18.573 7.901 1.00 41.43 H new ATOM 1346 N GLN A 87 25.601 -16.873 10.017 1.00 21.33 N ATOM 1347 CA GLN A 87 25.831 -15.789 10.965 1.00 11.30 C ATOM 1348 C GLN A 87 24.676 -15.675 11.952 1.00 13.12 C ATOM 1349 O GLN A 87 24.384 -14.592 12.460 1.00 34.44 O ATOM 1350 CB GLN A 87 26.014 -14.465 10.221 1.00 62.44 C ATOM 1351 CG GLN A 87 27.388 -14.307 9.590 1.00 22.40 C ATOM 1352 CD GLN A 87 27.511 -13.037 8.770 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.864 -11.979 9.292 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.220 -13.137 7.478 1.00 23.23 N ATOM 0 H GLN A 87 25.164 -16.583 9.142 1.00 21.33 H new ATOM 0 HA GLN A 87 26.740 -16.014 11.523 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.255 -14.387 9.443 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.845 -13.641 10.915 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.145 -14.304 10.374 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.592 -15.168 8.953 1.00 22.40 H new ATOM 0 HE21 GLN A 87 26.932 -14.034 7.088 1.00 23.23 H new ATOM 0 HE22 GLN A 87 27.285 -12.316 6.876 1.00 23.23 H new ATOM 1363 N ASP A 88 24.020 -16.799 12.221 1.00 74.43 N ATOM 1364 CA ASP A 88 22.896 -16.825 13.150 1.00 30.11 C ATOM 1365 C ASP A 88 21.899 -15.717 12.829 1.00 61.34 C ATOM 1366 O ASP A 88 21.179 -15.239 13.707 1.00 12.20 O ATOM 1367 CB ASP A 88 23.392 -16.681 14.590 1.00 42.33 C ATOM 1368 CG ASP A 88 24.157 -17.901 15.064 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.612 -19.020 14.955 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 25.297 -17.738 15.544 1.00 73.51 O ATOM 0 H ASP A 88 24.247 -17.704 11.809 1.00 74.43 H new ATOM 0 HA ASP A 88 22.391 -17.785 13.043 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.033 -15.803 14.664 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.541 -16.511 15.249 1.00 42.33 H new ATOM 1375 N LYS A 89 21.863 -15.309 11.564 1.00 0.12 N ATOM 1376 CA LYS A 89 20.955 -14.256 11.126 1.00 50.20 C ATOM 1377 C LYS A 89 19.613 -14.839 10.697 1.00 23.34 C ATOM 1378 O LYS A 89 18.570 -14.498 11.256 1.00 54.12 O ATOM 1379 CB LYS A 89 21.575 -13.469 9.968 1.00 12.11 C ATOM 1380 CG LYS A 89 22.054 -12.083 10.362 1.00 1.11 C ATOM 1381 CD LYS A 89 22.108 -11.150 9.165 1.00 0.51 C ATOM 1382 CE LYS A 89 23.366 -10.295 9.179 1.00 23.00 C ATOM 1383 NZ LYS A 89 23.049 -8.841 9.179 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.452 -15.692 10.825 1.00 0.12 H new ATOM 0 HA LYS A 89 20.787 -13.583 11.966 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.416 -14.034 9.565 1.00 12.11 H new ATOM 0 HB3 LYS A 89 20.840 -13.377 9.168 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.387 -11.668 11.118 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.043 -12.154 10.814 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.075 -11.734 8.245 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.229 -10.505 9.165 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.960 -10.537 10.061 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.977 -10.533 8.308 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 23.933 -8.293 9.189 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 22.504 -8.604 8.325 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 22.488 -8.608 10.023 1.00 64.21 H new ATOM 1397 N MET A 90 19.645 -15.719 9.702 1.00 61.54 N ATOM 1398 CA MET A 90 18.430 -16.351 9.200 1.00 34.14 C ATOM 1399 C MET A 90 18.269 -17.753 9.778 1.00 23.11 C ATOM 1400 O MET A 90 19.252 -18.409 10.124 1.00 52.43 O ATOM 1401 CB MET A 90 18.457 -16.416 7.672 1.00 63.10 C ATOM 1402 CG MET A 90 18.045 -15.116 7.001 1.00 53.24 C ATOM 1403 SD MET A 90 19.417 -14.303 6.159 1.00 10.12 S ATOM 1404 CE MET A 90 19.972 -15.615 5.072 1.00 55.23 C ATOM 0 H MET A 90 20.499 -16.011 9.227 1.00 61.54 H new ATOM 0 HA MET A 90 17.579 -15.747 9.515 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.463 -16.681 7.346 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.793 -17.214 7.339 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.251 -15.319 6.282 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.632 -14.440 7.750 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.431 -15.182 4.184 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.702 -16.234 5.593 1.00 55.23 H new ATOM 0 HE3 MET A 90 19.120 -16.228 4.778 1.00 55.23 H new ATOM 1414 N GLU A 91 17.024 -18.208 9.878 1.00 65.45 N ATOM 1415 CA GLU A 91 16.736 -19.533 10.415 1.00 11.40 C ATOM 1416 C GLU A 91 15.910 -20.352 9.428 1.00 34.33 C ATOM 1417 O GLU A 91 14.733 -20.072 9.203 1.00 12.44 O ATOM 1418 CB GLU A 91 15.991 -19.417 11.747 1.00 33.13 C ATOM 1419 CG GLU A 91 16.642 -18.455 12.727 1.00 21.12 C ATOM 1420 CD GLU A 91 15.919 -18.400 14.058 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.114 -19.313 14.334 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 16.159 -17.443 14.825 1.00 51.55 O ATOM 0 H GLU A 91 16.199 -17.679 9.594 1.00 65.45 H new ATOM 0 HA GLU A 91 17.685 -20.044 10.581 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.969 -19.090 11.555 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.929 -20.404 12.206 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.677 -18.755 12.892 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.666 -17.457 12.289 1.00 21.12 H new ATOM 1429 N VAL A 92 16.536 -21.367 8.840 1.00 4.22 N ATOM 1430 CA VAL A 92 15.861 -22.229 7.877 1.00 10.32 C ATOM 1431 C VAL A 92 15.822 -23.672 8.365 1.00 5.13 C ATOM 1432 O VAL A 92 16.777 -24.160 8.969 1.00 24.13 O ATOM 1433 CB VAL A 92 16.551 -22.181 6.501 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.949 -22.773 6.584 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.715 -22.910 5.461 1.00 24.44 C ATOM 0 H VAL A 92 17.511 -21.612 9.014 1.00 4.22 H new ATOM 0 HA VAL A 92 14.842 -21.855 7.777 1.00 10.32 H new ATOM 0 HB VAL A 92 16.642 -21.139 6.195 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.421 -22.731 5.602 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.544 -22.203 7.298 1.00 44.34 H new ATOM 0 HG13 VAL A 92 17.886 -23.811 6.912 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.217 -22.866 4.495 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.591 -23.951 5.759 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.737 -22.436 5.383 1.00 24.44 H new ATOM 1445 N ASP A 93 14.712 -24.351 8.097 1.00 5.23 N ATOM 1446 CA ASP A 93 14.549 -25.742 8.506 1.00 71.33 C ATOM 1447 C ASP A 93 14.002 -26.585 7.358 1.00 3.43 C ATOM 1448 O ASP A 93 12.860 -26.413 6.937 1.00 70.13 O ATOM 1449 CB ASP A 93 13.613 -25.833 9.712 1.00 63.55 C ATOM 1450 CG ASP A 93 13.921 -24.786 10.765 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.834 -25.020 11.585 1.00 3.05 O ATOM 1452 OD2 ASP A 93 13.250 -23.733 10.768 1.00 61.15 O1- ATOM 0 H ASP A 93 13.912 -23.961 7.599 1.00 5.23 H new ATOM 0 HA ASP A 93 15.528 -26.131 8.784 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.582 -25.716 9.378 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.693 -26.825 10.156 1.00 63.55 H new ATOM 1457 N GLY A 94 14.829 -27.498 6.856 1.00 62.44 N ATOM 1458 CA GLY A 94 14.411 -28.354 5.761 1.00 54.13 C ATOM 1459 C GLY A 94 15.576 -29.078 5.115 1.00 34.44 C ATOM 1460 O GLY A 94 16.735 -28.752 5.370 1.00 31.24 O ATOM 0 H GLY A 94 15.780 -27.660 7.188 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.692 -29.085 6.130 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.898 -27.754 5.010 1.00 54.13 H new ATOM 1464 N GLN A 95 15.268 -30.064 4.278 1.00 20.11 N ATOM 1465 CA GLN A 95 16.299 -30.837 3.597 1.00 74.11 C ATOM 1466 C GLN A 95 17.251 -29.922 2.834 1.00 14.41 C ATOM 1467 O GLN A 95 16.847 -29.228 1.900 1.00 70.12 O ATOM 1468 CB GLN A 95 15.660 -31.842 2.636 1.00 43.12 C ATOM 1469 CG GLN A 95 16.043 -33.286 2.925 1.00 5.44 C ATOM 1470 CD GLN A 95 17.487 -33.588 2.576 1.00 62.14 C ATOM 1471 OE1 GLN A 95 17.785 -34.081 1.489 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.393 -33.291 3.501 1.00 15.42 N ATOM 0 H GLN A 95 14.313 -30.346 4.056 1.00 20.11 H new ATOM 0 HA GLN A 95 16.870 -31.378 4.352 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.576 -31.744 2.689 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.953 -31.594 1.616 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.877 -33.498 3.981 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.390 -33.951 2.360 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.100 -32.883 4.389 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.381 -33.471 3.323 1.00 15.42 H new ATOM 1481 N VAL A 96 18.517 -29.924 3.239 1.00 3.03 N ATOM 1482 CA VAL A 96 19.527 -29.095 2.593 1.00 31.30 C ATOM 1483 C VAL A 96 19.372 -29.119 1.077 1.00 11.34 C ATOM 1484 O VAL A 96 19.533 -28.097 0.411 1.00 40.02 O ATOM 1485 CB VAL A 96 20.951 -29.557 2.959 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.989 -28.656 2.308 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.130 -29.585 4.470 1.00 14.52 C ATOM 0 H VAL A 96 18.867 -30.491 4.011 1.00 3.03 H new ATOM 0 HA VAL A 96 19.378 -28.077 2.954 1.00 31.30 H new ATOM 0 HB VAL A 96 21.094 -30.569 2.580 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.988 -28.998 2.578 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.874 -28.692 1.225 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.850 -27.632 2.654 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.141 -29.913 4.711 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.967 -28.586 4.874 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.410 -30.276 4.909 1.00 14.52 H new ATOM 1497 N GLU A 97 19.055 -30.292 0.538 1.00 74.25 N ATOM 1498 CA GLU A 97 18.877 -30.448 -0.901 1.00 11.51 C ATOM 1499 C GLU A 97 17.675 -29.647 -1.390 1.00 42.00 C ATOM 1500 O GLU A 97 17.762 -28.918 -2.379 1.00 42.22 O ATOM 1501 CB GLU A 97 18.699 -31.926 -1.257 1.00 74.24 C ATOM 1502 CG GLU A 97 20.004 -32.634 -1.582 1.00 53.13 C ATOM 1503 CD GLU A 97 20.077 -33.087 -3.028 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.073 -33.638 -3.528 1.00 51.11 O ATOM 1505 OE2 GLU A 97 21.137 -32.892 -3.658 1.00 41.00 O1- ATOM 0 H GLU A 97 18.916 -31.148 1.076 1.00 74.25 H new ATOM 0 HA GLU A 97 19.770 -30.067 -1.396 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.216 -32.436 -0.424 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.028 -32.007 -2.112 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.838 -31.965 -1.372 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.117 -33.499 -0.928 1.00 53.13 H new ATOM 1512 N LEU A 98 16.554 -29.788 -0.692 1.00 4.22 N ATOM 1513 CA LEU A 98 15.332 -29.078 -1.055 1.00 45.51 C ATOM 1514 C LEU A 98 15.611 -27.597 -1.289 1.00 62.10 C ATOM 1515 O LEU A 98 15.290 -27.054 -2.346 1.00 75.13 O ATOM 1516 CB LEU A 98 14.278 -29.243 0.041 1.00 63.45 C ATOM 1517 CG LEU A 98 13.637 -30.627 0.153 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.612 -30.652 1.277 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.994 -31.025 -1.167 1.00 24.12 C ATOM 0 H LEU A 98 16.465 -30.387 0.129 1.00 4.22 H new ATOM 0 HA LEU A 98 14.954 -29.508 -1.982 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.737 -28.999 0.999 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.488 -28.511 -0.129 1.00 63.45 H new ATOM 0 HG LEU A 98 14.418 -31.350 0.386 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.167 -31.645 1.341 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.101 -30.412 2.221 1.00 70.31 H new ATOM 0 HD13 LEU A 98 11.833 -29.917 1.075 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.543 -32.012 -1.069 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.225 -30.299 -1.430 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.753 -31.049 -1.949 1.00 24.12 H new ATOM 1531 N ILE A 99 16.214 -26.951 -0.296 1.00 14.23 N ATOM 1532 CA ILE A 99 16.539 -25.533 -0.395 1.00 35.14 C ATOM 1533 C ILE A 99 17.699 -25.302 -1.357 1.00 52.03 C ATOM 1534 O ILE A 99 17.798 -24.247 -1.985 1.00 51.23 O ATOM 1535 CB ILE A 99 16.902 -24.942 0.980 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.086 -25.697 1.588 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.700 -24.991 1.912 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.431 -25.126 1.198 1.00 52.41 C ATOM 0 H ILE A 99 16.487 -27.386 0.585 1.00 14.23 H new ATOM 0 HA ILE A 99 15.649 -25.030 -0.774 1.00 35.14 H new ATOM 0 HB ILE A 99 17.191 -23.900 0.846 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.996 -25.684 2.674 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.039 -26.741 1.277 1.00 34.25 H new ATOM 0 HG21 ILE A 99 15.973 -24.570 2.880 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.882 -24.413 1.482 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.383 -26.026 2.043 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.224 -25.711 1.665 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.542 -25.164 0.114 1.00 52.41 H new ATOM 0 HD13 ILE A 99 19.498 -24.091 1.533 1.00 52.41 H new ATOM 1550 N PHE A 100 18.574 -26.296 -1.471 1.00 71.24 N ATOM 1551 CA PHE A 100 19.727 -26.201 -2.358 1.00 72.33 C ATOM 1552 C PHE A 100 19.295 -26.254 -3.820 1.00 42.50 C ATOM 1553 O PHE A 100 20.078 -25.953 -4.722 1.00 71.51 O ATOM 1554 CB PHE A 100 20.717 -27.331 -2.065 1.00 70.10 C ATOM 1555 CG PHE A 100 21.913 -27.330 -2.974 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.952 -26.437 -2.770 1.00 32.30 C ATOM 1557 CD2 PHE A 100 21.999 -28.223 -4.030 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.056 -26.434 -3.604 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.099 -28.226 -4.866 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.127 -27.329 -4.654 1.00 4.43 C ATOM 0 H PHE A 100 18.506 -27.176 -0.960 1.00 71.24 H new ATOM 0 HA PHE A 100 20.215 -25.243 -2.177 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.055 -27.248 -1.032 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.202 -28.287 -2.156 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.900 -25.735 -1.951 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.197 -28.925 -4.202 1.00 64.21 H new ATOM 0 HE1 PHE A 100 24.860 -25.734 -3.435 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.155 -28.929 -5.684 1.00 44.14 H new ATOM 0 HZ PHE A 100 24.986 -27.327 -5.309 1.00 4.43 H new ATOM 1570 N LEU A 101 18.044 -26.638 -4.046 1.00 25.32 N ATOM 1571 CA LEU A 101 17.505 -26.732 -5.399 1.00 40.32 C ATOM 1572 C LEU A 101 17.181 -25.348 -5.953 1.00 65.23 C ATOM 1573 O LEU A 101 17.347 -25.091 -7.146 1.00 62.41 O ATOM 1574 CB LEU A 101 16.249 -27.605 -5.410 1.00 25.44 C ATOM 1575 CG LEU A 101 16.412 -29.008 -5.995 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.386 -28.959 -7.514 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.702 -29.645 -5.502 1.00 22.30 C ATOM 0 H LEU A 101 17.383 -26.889 -3.311 1.00 25.32 H new ATOM 0 HA LEU A 101 18.263 -27.190 -6.035 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.888 -27.700 -4.386 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.475 -27.085 -5.974 1.00 25.44 H new ATOM 0 HG LEU A 101 15.576 -29.621 -5.658 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.503 -29.967 -7.913 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.435 -28.545 -7.848 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.201 -28.330 -7.872 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.801 -30.643 -5.929 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.550 -29.033 -5.809 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.680 -29.716 -4.415 1.00 22.30 H new ATOM 1589 N LEU A 102 16.721 -24.460 -5.079 1.00 30.55 N ATOM 1590 CA LEU A 102 16.376 -23.100 -5.481 1.00 44.41 C ATOM 1591 C LEU A 102 17.597 -22.189 -5.420 1.00 35.10 C ATOM 1592 O LEU A 102 17.541 -21.032 -5.837 1.00 24.35 O ATOM 1593 CB LEU A 102 15.268 -22.548 -4.582 1.00 74.32 C ATOM 1594 CG LEU A 102 13.836 -22.767 -5.072 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.636 -24.209 -5.514 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.837 -22.398 -3.985 1.00 31.25 C ATOM 0 H LEU A 102 16.578 -24.656 -4.088 1.00 30.55 H new ATOM 0 HA LEU A 102 16.019 -23.130 -6.510 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.367 -23.002 -3.596 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.428 -21.477 -4.457 1.00 74.32 H new ATOM 0 HG LEU A 102 13.665 -22.118 -5.931 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.611 -24.345 -5.859 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.326 -24.440 -6.326 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.828 -24.877 -4.674 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.824 -22.560 -4.352 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.009 -23.020 -3.107 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.962 -21.349 -3.717 1.00 31.25 H new ATOM 1608 N GLU A 103 18.699 -22.717 -4.898 1.00 43.15 N ATOM 1609 CA GLU A 103 19.934 -21.951 -4.784 1.00 3.21 C ATOM 1610 C GLU A 103 20.458 -21.556 -6.162 1.00 63.23 C ATOM 1611 O GLU A 103 20.712 -20.384 -6.445 1.00 12.34 O ATOM 1612 CB GLU A 103 20.996 -22.759 -4.036 1.00 45.21 C ATOM 1613 CG GLU A 103 21.086 -22.422 -2.556 1.00 43.34 C ATOM 1614 CD GLU A 103 22.351 -22.956 -1.913 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.419 -22.881 -2.555 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.272 -23.450 -0.769 1.00 12.12 O1- ATOM 0 H GLU A 103 18.762 -23.673 -4.547 1.00 43.15 H new ATOM 0 HA GLU A 103 19.717 -21.043 -4.222 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.777 -23.821 -4.146 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.967 -22.584 -4.500 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.048 -21.340 -2.430 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.219 -22.834 -2.040 1.00 43.34 H new ATOM 1623 N PRO A 104 20.624 -22.556 -7.040 1.00 1.41 N ATOM 1624 CA PRO A 104 21.119 -22.338 -8.403 1.00 73.13 C ATOM 1625 C PRO A 104 20.107 -21.607 -9.278 1.00 4.23 C ATOM 1626 O PRO A 104 20.409 -21.230 -10.411 1.00 22.01 O ATOM 1627 CB PRO A 104 21.352 -23.757 -8.926 1.00 53.34 C ATOM 1628 CG PRO A 104 20.426 -24.611 -8.131 1.00 15.34 C ATOM 1629 CD PRO A 104 20.341 -23.975 -6.771 1.00 52.44 C ATOM 0 HA PRO A 104 22.011 -21.711 -8.417 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.137 -23.826 -9.992 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.389 -24.064 -8.789 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.443 -24.663 -8.600 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.800 -25.632 -8.061 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.356 -24.111 -6.325 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.066 -24.405 -6.080 1.00 52.44 H new ATOM 1637 N PHE A 105 18.906 -21.409 -8.745 1.00 2.15 N ATOM 1638 CA PHE A 105 17.848 -20.724 -9.478 1.00 32.10 C ATOM 1639 C PHE A 105 17.789 -19.248 -9.096 1.00 31.15 C ATOM 1640 O PHE A 105 17.205 -18.432 -9.810 1.00 64.30 O ATOM 1641 CB PHE A 105 16.496 -21.387 -9.207 1.00 54.33 C ATOM 1642 CG PHE A 105 16.454 -22.839 -9.591 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.309 -23.338 -10.559 1.00 1.41 C ATOM 1644 CD2 PHE A 105 15.559 -23.704 -8.982 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.271 -24.674 -10.915 1.00 3.32 C ATOM 1646 CE2 PHE A 105 15.516 -25.040 -9.333 1.00 11.53 C ATOM 1647 CZ PHE A 105 16.373 -25.525 -10.301 1.00 12.30 C ATOM 0 H PHE A 105 18.641 -21.713 -7.808 1.00 2.15 H new ATOM 0 HA PHE A 105 18.073 -20.797 -10.542 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.260 -21.292 -8.147 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.721 -20.852 -9.755 1.00 54.33 H new ATOM 0 HD1 PHE A 105 18.013 -22.677 -11.041 1.00 1.41 H new ATOM 0 HD2 PHE A 105 14.887 -23.330 -8.224 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.943 -25.051 -11.672 1.00 3.32 H new ATOM 0 HE2 PHE A 105 14.813 -25.704 -8.851 1.00 11.53 H new ATOM 0 HZ PHE A 105 16.341 -26.568 -10.578 1.00 12.30 H new ATOM 1657 N ILE A 106 18.397 -18.913 -7.962 1.00 24.22 N ATOM 1658 CA ILE A 106 18.414 -17.536 -7.483 1.00 75.54 C ATOM 1659 C ILE A 106 19.039 -16.604 -8.514 1.00 2.34 C ATOM 1660 O ILE A 106 18.558 -15.493 -8.734 1.00 3.54 O ATOM 1661 CB ILE A 106 19.189 -17.411 -6.158 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.377 -18.010 -5.008 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.523 -15.954 -5.875 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.229 -18.548 -3.881 1.00 25.24 C ATOM 0 H ILE A 106 18.884 -19.576 -7.359 1.00 24.22 H new ATOM 0 HA ILE A 106 17.376 -17.246 -7.316 1.00 75.54 H new ATOM 0 HB ILE A 106 20.122 -17.967 -6.247 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.706 -17.248 -4.613 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.752 -18.815 -5.396 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.071 -15.882 -4.935 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.137 -15.558 -6.684 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.601 -15.377 -5.803 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.586 -18.957 -3.102 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.882 -19.334 -4.262 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.835 -17.742 -3.466 1.00 25.24 H new ATOM 1676 N ALA A 107 20.114 -17.063 -9.146 1.00 3.35 N ATOM 1677 CA ALA A 107 20.804 -16.272 -10.158 1.00 34.20 C ATOM 1678 C ALA A 107 19.882 -15.959 -11.332 1.00 53.41 C ATOM 1679 O ALA A 107 19.928 -14.865 -11.894 1.00 32.33 O ATOM 1680 CB ALA A 107 22.048 -17.001 -10.641 1.00 64.22 C ATOM 0 H ALA A 107 20.527 -17.980 -8.975 1.00 3.35 H new ATOM 0 HA ALA A 107 21.104 -15.328 -9.703 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.553 -16.398 -11.396 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.721 -17.168 -9.800 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.763 -17.960 -11.073 1.00 64.22 H new ATOM 1686 N SER A 108 19.047 -16.927 -11.696 1.00 21.15 N ATOM 1687 CA SER A 108 18.118 -16.755 -12.807 1.00 44.42 C ATOM 1688 C SER A 108 17.320 -15.464 -12.653 1.00 32.13 C ATOM 1689 O SER A 108 16.924 -14.844 -13.641 1.00 64.31 O ATOM 1690 CB SER A 108 17.165 -17.950 -12.891 1.00 55.01 C ATOM 1691 OG SER A 108 17.774 -19.124 -12.382 1.00 5.42 O ATOM 0 H SER A 108 18.995 -17.837 -11.239 1.00 21.15 H new ATOM 0 HA SER A 108 18.698 -16.695 -13.728 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.256 -17.735 -12.329 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.868 -18.110 -13.927 1.00 55.01 H new ATOM 0 HG SER A 108 17.145 -19.873 -12.445 1.00 5.42 H new