USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 9 SER OG : rot 180:sc= -0.726 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -1.81! C(o=-5.6!,f=-2.1!) USER MOD Set 2.2: A 68 THR OG1 : rot -178:sc= -0.304 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.395 (180deg=0.392) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0803 F(o=-4!,f=-0.08) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 44 SER OG : rot 180:sc= -0.237 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -66:sc= 0.446 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.158 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 67 HIS : no HD1:sc= -4.97! C(o=-5!,f=-6.4!) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0467) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.046) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.125 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 39:sc= 0.872 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00216 X(o=-0.0022,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 3.327 2.272 -0.573 1.00 25.30 N ATOM 14 CA VAL A 2 3.843 3.564 -1.007 1.00 3.22 C ATOM 15 C VAL A 2 4.996 4.022 -0.120 1.00 34.24 C ATOM 16 O VAL A 2 4.988 3.797 1.090 1.00 33.03 O ATOM 17 CB VAL A 2 2.741 4.640 -0.994 1.00 51.31 C ATOM 18 CG1 VAL A 2 3.306 5.988 -1.417 1.00 0.24 C ATOM 19 CG2 VAL A 2 1.587 4.231 -1.896 1.00 61.22 C ATOM 0 HA VAL A 2 4.203 3.435 -2.028 1.00 3.22 H new ATOM 0 HB VAL A 2 2.362 4.734 0.023 1.00 51.31 H new ATOM 0 HG11 VAL A 2 2.513 6.736 -1.402 1.00 0.24 H new ATOM 0 HG12 VAL A 2 4.097 6.284 -0.728 1.00 0.24 H new ATOM 0 HG13 VAL A 2 3.713 5.912 -2.425 1.00 0.24 H new ATOM 0 HG21 VAL A 2 0.817 5.003 -1.875 1.00 61.22 H new ATOM 0 HG22 VAL A 2 1.949 4.108 -2.917 1.00 61.22 H new ATOM 0 HG23 VAL A 2 1.166 3.289 -1.544 1.00 61.22 H new ATOM 29 N ILE A 3 5.985 4.666 -0.730 1.00 31.41 N ATOM 30 CA ILE A 3 7.143 5.157 0.004 1.00 4.12 C ATOM 31 C ILE A 3 7.019 6.649 0.293 1.00 3.22 C ATOM 32 O ILE A 3 6.765 7.448 -0.609 1.00 64.03 O ATOM 33 CB ILE A 3 8.451 4.903 -0.771 1.00 31.45 C ATOM 34 CG1 ILE A 3 8.632 3.406 -1.029 1.00 5.50 C ATOM 35 CG2 ILE A 3 9.639 5.461 -0.002 1.00 14.34 C ATOM 36 CD1 ILE A 3 9.912 3.071 -1.763 1.00 73.54 C ATOM 0 H ILE A 3 6.007 4.860 -1.731 1.00 31.41 H new ATOM 0 HA ILE A 3 7.175 4.608 0.945 1.00 4.12 H new ATOM 0 HB ILE A 3 8.393 5.414 -1.732 1.00 31.45 H new ATOM 0 HG12 ILE A 3 8.620 2.877 -0.076 1.00 5.50 H new ATOM 0 HG13 ILE A 3 7.784 3.040 -1.608 1.00 5.50 H new ATOM 0 HG21 ILE A 3 10.555 5.274 -0.562 1.00 14.34 H new ATOM 0 HG22 ILE A 3 9.511 6.535 0.136 1.00 14.34 H new ATOM 0 HG23 ILE A 3 9.703 4.975 0.971 1.00 14.34 H new ATOM 0 HD11 ILE A 3 9.975 1.993 -1.912 1.00 73.54 H new ATOM 0 HD12 ILE A 3 9.918 3.572 -2.731 1.00 73.54 H new ATOM 0 HD13 ILE A 3 10.767 3.406 -1.176 1.00 73.54 H new ATOM 48 N ILE A 4 7.202 7.019 1.556 1.00 3.31 N ATOM 49 CA ILE A 4 7.113 8.416 1.963 1.00 22.42 C ATOM 50 C ILE A 4 8.426 9.148 1.707 1.00 71.30 C ATOM 51 O ILE A 4 9.428 8.905 2.381 1.00 34.11 O ATOM 52 CB ILE A 4 6.750 8.545 3.455 1.00 32.10 C ATOM 53 CG1 ILE A 4 5.304 8.102 3.690 1.00 52.33 C ATOM 54 CG2 ILE A 4 6.954 9.977 3.927 1.00 21.12 C ATOM 55 CD1 ILE A 4 4.819 8.344 5.101 1.00 3.44 C ATOM 0 H ILE A 4 7.413 6.371 2.315 1.00 3.31 H new ATOM 0 HA ILE A 4 6.324 8.870 1.364 1.00 22.42 H new ATOM 0 HB ILE A 4 7.408 7.895 4.032 1.00 32.10 H new ATOM 0 HG12 ILE A 4 4.653 8.632 2.995 1.00 52.33 H new ATOM 0 HG13 ILE A 4 5.217 7.040 3.462 1.00 52.33 H new ATOM 0 HG21 ILE A 4 6.694 10.053 4.983 1.00 21.12 H new ATOM 0 HG22 ILE A 4 7.998 10.260 3.789 1.00 21.12 H new ATOM 0 HG23 ILE A 4 6.317 10.645 3.347 1.00 21.12 H new ATOM 0 HD11 ILE A 4 3.787 8.006 5.194 1.00 3.44 H new ATOM 0 HD12 ILE A 4 5.446 7.792 5.801 1.00 3.44 H new ATOM 0 HD13 ILE A 4 4.874 9.409 5.327 1.00 3.44 H new ATOM 67 N LYS A 5 8.414 10.046 0.729 1.00 42.13 N ATOM 68 CA LYS A 5 9.603 10.818 0.383 1.00 64.13 C ATOM 69 C LYS A 5 9.275 12.304 0.277 1.00 63.22 C ATOM 70 O LYS A 5 8.136 12.696 0.022 1.00 41.32 O ATOM 71 CB LYS A 5 10.194 10.319 -0.938 1.00 72.21 C ATOM 72 CG LYS A 5 10.553 8.843 -0.925 1.00 14.34 C ATOM 73 CD LYS A 5 9.814 8.080 -2.012 1.00 13.22 C ATOM 74 CE LYS A 5 10.732 7.101 -2.728 1.00 0.25 C ATOM 75 NZ LYS A 5 10.555 7.153 -4.205 1.00 21.34 N ATOM 0 H LYS A 5 7.594 10.258 0.161 1.00 42.13 H new ATOM 0 HA LYS A 5 10.338 10.682 1.177 1.00 64.13 H new ATOM 0 HB2 LYS A 5 9.478 10.503 -1.739 1.00 72.21 H new ATOM 0 HB3 LYS A 5 11.087 10.900 -1.169 1.00 72.21 H new ATOM 0 HG2 LYS A 5 11.628 8.728 -1.065 1.00 14.34 H new ATOM 0 HG3 LYS A 5 10.311 8.417 0.049 1.00 14.34 H new ATOM 0 HD2 LYS A 5 8.976 7.540 -1.573 1.00 13.22 H new ATOM 0 HD3 LYS A 5 9.397 8.784 -2.733 1.00 13.22 H new ATOM 0 HE2 LYS A 5 11.769 7.327 -2.478 1.00 0.25 H new ATOM 0 HE3 LYS A 5 10.532 6.090 -2.374 1.00 0.25 H new ATOM 0 HZ1 LYS A 5 11.161 6.436 -4.653 1.00 21.34 H new ATOM 0 HZ2 LYS A 5 9.560 6.963 -4.442 1.00 21.34 H new ATOM 0 HZ3 LYS A 5 10.820 8.096 -4.553 1.00 21.34 H new ATOM 89 N PRO A 6 10.296 13.151 0.475 1.00 41.41 N ATOM 90 CA PRO A 6 10.141 14.607 0.405 1.00 55.02 C ATOM 91 C PRO A 6 9.884 15.094 -1.017 1.00 52.22 C ATOM 92 O PRO A 6 9.987 14.327 -1.974 1.00 32.43 O ATOM 93 CB PRO A 6 11.485 15.132 0.915 1.00 13.23 C ATOM 94 CG PRO A 6 12.452 14.035 0.632 1.00 51.02 C ATOM 95 CD PRO A 6 11.680 12.753 0.782 1.00 3.42 C ATOM 0 HA PRO A 6 9.285 14.954 0.984 1.00 55.02 H new ATOM 0 HB2 PRO A 6 11.770 16.052 0.405 1.00 13.23 H new ATOM 0 HB3 PRO A 6 11.443 15.358 1.981 1.00 13.23 H new ATOM 0 HG2 PRO A 6 12.864 14.127 -0.373 1.00 51.02 H new ATOM 0 HG3 PRO A 6 13.293 14.068 1.325 1.00 51.02 H new ATOM 0 HD2 PRO A 6 12.039 11.985 0.097 1.00 3.42 H new ATOM 0 HD3 PRO A 6 11.767 12.347 1.790 1.00 3.42 H new ATOM 103 N GLN A 7 9.549 16.374 -1.148 1.00 42.14 N ATOM 104 CA GLN A 7 9.278 16.962 -2.454 1.00 31.01 C ATOM 105 C GLN A 7 10.285 18.060 -2.776 1.00 52.44 C ATOM 106 O GLN A 7 10.060 18.883 -3.665 1.00 75.21 O ATOM 107 CB GLN A 7 7.857 17.529 -2.497 1.00 22.02 C ATOM 108 CG GLN A 7 7.526 18.431 -1.319 1.00 44.12 C ATOM 109 CD GLN A 7 6.640 17.752 -0.294 1.00 62.01 C ATOM 110 OE1 GLN A 7 7.095 16.905 0.474 1.00 63.12 O ATOM 111 NE2 GLN A 7 5.365 18.122 -0.277 1.00 33.32 N ATOM 0 H GLN A 7 9.459 17.023 -0.366 1.00 42.14 H new ATOM 0 HA GLN A 7 9.372 16.177 -3.204 1.00 31.01 H new ATOM 0 HB2 GLN A 7 7.727 18.091 -3.422 1.00 22.02 H new ATOM 0 HB3 GLN A 7 7.146 16.703 -2.523 1.00 22.02 H new ATOM 0 HG2 GLN A 7 8.451 18.750 -0.839 1.00 44.12 H new ATOM 0 HG3 GLN A 7 7.030 19.330 -1.683 1.00 44.12 H new ATOM 0 HE21 GLN A 7 5.030 18.828 -0.932 1.00 33.32 H new ATOM 0 HE22 GLN A 7 4.720 17.700 0.391 1.00 33.32 H new ATOM 120 N VAL A 8 11.397 18.069 -2.049 1.00 63.13 N ATOM 121 CA VAL A 8 12.441 19.066 -2.259 1.00 22.11 C ATOM 122 C VAL A 8 13.806 18.526 -1.849 1.00 41.40 C ATOM 123 O VAL A 8 13.914 17.707 -0.937 1.00 70.41 O ATOM 124 CB VAL A 8 12.151 20.356 -1.467 1.00 61.43 C ATOM 125 CG1 VAL A 8 10.946 21.079 -2.047 1.00 63.10 C ATOM 126 CG2 VAL A 8 11.936 20.038 0.005 1.00 41.50 C ATOM 0 H VAL A 8 11.599 17.397 -1.309 1.00 63.13 H new ATOM 0 HA VAL A 8 12.450 19.297 -3.324 1.00 22.11 H new ATOM 0 HB VAL A 8 13.014 21.016 -1.551 1.00 61.43 H new ATOM 0 HG11 VAL A 8 10.757 21.987 -1.475 1.00 63.10 H new ATOM 0 HG12 VAL A 8 11.144 21.340 -3.087 1.00 63.10 H new ATOM 0 HG13 VAL A 8 10.072 20.429 -1.996 1.00 63.10 H new ATOM 0 HG21 VAL A 8 11.732 20.960 0.550 1.00 41.50 H new ATOM 0 HG22 VAL A 8 11.090 19.359 0.111 1.00 41.50 H new ATOM 0 HG23 VAL A 8 12.832 19.567 0.410 1.00 41.50 H new ATOM 136 N SER A 9 14.849 18.993 -2.529 1.00 22.00 N ATOM 137 CA SER A 9 16.209 18.555 -2.238 1.00 2.22 C ATOM 138 C SER A 9 16.858 19.457 -1.191 1.00 75.35 C ATOM 139 O SER A 9 16.865 20.680 -1.327 1.00 64.34 O ATOM 140 CB SER A 9 17.051 18.551 -3.515 1.00 75.02 C ATOM 141 OG SER A 9 16.569 17.590 -4.440 1.00 13.32 O ATOM 0 H SER A 9 14.778 19.674 -3.285 1.00 22.00 H new ATOM 0 HA SER A 9 16.160 17.541 -1.840 1.00 2.22 H new ATOM 0 HB2 SER A 9 17.031 19.541 -3.971 1.00 75.02 H new ATOM 0 HB3 SER A 9 18.090 18.334 -3.269 1.00 75.02 H new ATOM 0 HG SER A 9 17.122 17.608 -5.249 1.00 13.32 H new ATOM 147 N GLY A 10 17.403 18.842 -0.146 1.00 52.02 N ATOM 148 CA GLY A 10 18.047 19.602 0.909 1.00 34.22 C ATOM 149 C GLY A 10 18.702 18.713 1.947 1.00 50.42 C ATOM 150 O GLY A 10 19.554 17.888 1.619 1.00 65.51 O ATOM 0 H GLY A 10 17.410 17.831 -0.011 1.00 52.02 H new ATOM 0 HA2 GLY A 10 18.799 20.260 0.472 1.00 34.22 H new ATOM 0 HA3 GLY A 10 17.309 20.240 1.395 1.00 34.22 H new ATOM 154 N VAL A 11 18.306 18.882 3.204 1.00 14.43 N ATOM 155 CA VAL A 11 18.861 18.090 4.295 1.00 62.45 C ATOM 156 C VAL A 11 17.840 17.899 5.411 1.00 43.25 C ATOM 157 O VAL A 11 17.112 18.827 5.764 1.00 51.31 O ATOM 158 CB VAL A 11 20.127 18.745 4.878 1.00 72.41 C ATOM 159 CG1 VAL A 11 20.673 17.920 6.032 1.00 23.45 C ATOM 160 CG2 VAL A 11 21.181 18.924 3.795 1.00 34.23 C ATOM 0 H VAL A 11 17.602 19.561 3.493 1.00 14.43 H new ATOM 0 HA VAL A 11 19.124 17.118 3.878 1.00 62.45 H new ATOM 0 HB VAL A 11 19.861 19.730 5.261 1.00 72.41 H new ATOM 0 HG11 VAL A 11 21.567 18.399 6.431 1.00 23.45 H new ATOM 0 HG12 VAL A 11 19.920 17.848 6.816 1.00 23.45 H new ATOM 0 HG13 VAL A 11 20.924 16.920 5.678 1.00 23.45 H new ATOM 0 HG21 VAL A 11 22.069 19.388 4.224 1.00 34.23 H new ATOM 0 HG22 VAL A 11 21.445 17.951 3.380 1.00 34.23 H new ATOM 0 HG23 VAL A 11 20.785 19.561 3.004 1.00 34.23 H new ATOM 170 N ILE A 12 17.794 16.692 5.963 1.00 22.32 N ATOM 171 CA ILE A 12 16.863 16.380 7.042 1.00 41.44 C ATOM 172 C ILE A 12 17.092 17.289 8.245 1.00 41.12 C ATOM 173 O ILE A 12 18.170 17.293 8.838 1.00 65.54 O ATOM 174 CB ILE A 12 16.991 14.912 7.489 1.00 2.12 C ATOM 175 CG1 ILE A 12 16.636 13.972 6.335 1.00 11.13 C ATOM 176 CG2 ILE A 12 16.097 14.646 8.691 1.00 63.13 C ATOM 177 CD1 ILE A 12 15.184 14.047 5.919 1.00 3.31 C ATOM 0 H ILE A 12 18.390 15.913 5.682 1.00 22.32 H new ATOM 0 HA ILE A 12 15.859 16.545 6.651 1.00 41.44 H new ATOM 0 HB ILE A 12 18.024 14.724 7.780 1.00 2.12 H new ATOM 0 HG12 ILE A 12 17.264 14.210 5.477 1.00 11.13 H new ATOM 0 HG13 ILE A 12 16.870 12.948 6.626 1.00 11.13 H new ATOM 0 HG21 ILE A 12 16.198 13.604 8.996 1.00 63.13 H new ATOM 0 HG22 ILE A 12 16.392 15.296 9.515 1.00 63.13 H new ATOM 0 HG23 ILE A 12 15.059 14.847 8.424 1.00 63.13 H new ATOM 0 HD11 ILE A 12 15.005 13.354 5.097 1.00 3.31 H new ATOM 0 HD12 ILE A 12 14.549 13.780 6.764 1.00 3.31 H new ATOM 0 HD13 ILE A 12 14.950 15.061 5.596 1.00 3.31 H new ATOM 189 N VAL A 13 16.069 18.059 8.601 1.00 1.13 N ATOM 190 CA VAL A 13 16.156 18.970 9.735 1.00 3.44 C ATOM 191 C VAL A 13 15.891 18.241 11.048 1.00 22.21 C ATOM 192 O VAL A 13 16.554 18.492 12.054 1.00 34.50 O ATOM 193 CB VAL A 13 15.159 20.135 9.598 1.00 52.52 C ATOM 194 CG1 VAL A 13 15.501 21.250 10.575 1.00 24.51 C ATOM 195 CG2 VAL A 13 15.142 20.656 8.168 1.00 22.23 C ATOM 0 H VAL A 13 15.170 18.070 8.120 1.00 1.13 H new ATOM 0 HA VAL A 13 17.170 19.369 9.742 1.00 3.44 H new ATOM 0 HB VAL A 13 14.162 19.766 9.839 1.00 52.52 H new ATOM 0 HG11 VAL A 13 14.785 22.064 10.463 1.00 24.51 H new ATOM 0 HG12 VAL A 13 15.458 20.867 11.594 1.00 24.51 H new ATOM 0 HG13 VAL A 13 16.506 21.619 10.369 1.00 24.51 H new ATOM 0 HG21 VAL A 13 14.432 21.479 8.089 1.00 22.23 H new ATOM 0 HG22 VAL A 13 16.137 21.008 7.897 1.00 22.23 H new ATOM 0 HG23 VAL A 13 14.845 19.854 7.492 1.00 22.23 H new ATOM 205 N ASN A 14 14.917 17.338 11.030 1.00 61.53 N ATOM 206 CA ASN A 14 14.564 16.571 12.219 1.00 32.00 C ATOM 207 C ASN A 14 13.925 15.239 11.838 1.00 63.12 C ATOM 208 O ASN A 14 13.463 15.058 10.711 1.00 31.13 O ATOM 209 CB ASN A 14 13.606 17.373 13.102 1.00 13.41 C ATOM 210 CG ASN A 14 13.808 17.092 14.579 1.00 75.25 C ATOM 211 OD1 ASN A 14 13.277 15.967 15.045 1.00 51.02 O flip ATOM 212 ND2 ASN A 14 14.434 17.876 15.292 1.00 0.31 N flip ATOM 0 H ASN A 14 14.358 17.119 10.205 1.00 61.53 H new ATOM 0 HA ASN A 14 15.479 16.369 12.775 1.00 32.00 H new ATOM 0 HB2 ASN A 14 13.749 18.437 12.915 1.00 13.41 H new ATOM 0 HB3 ASN A 14 12.578 17.136 12.827 1.00 13.41 H new ATOM 0 HD21 ASN A 14 14.825 18.729 14.892 1.00 0.31 H new ATOM 0 HD22 ASN A 14 14.562 17.673 16.283 1.00 0.31 H new ATOM 219 N LYS A 15 13.904 14.306 12.785 1.00 15.11 N ATOM 220 CA LYS A 15 13.321 12.991 12.551 1.00 61.10 C ATOM 221 C LYS A 15 12.279 12.660 13.614 1.00 52.11 C ATOM 222 O LYS A 15 12.619 12.371 14.763 1.00 61.34 O ATOM 223 CB LYS A 15 14.416 11.920 12.543 1.00 33.53 C ATOM 224 CG LYS A 15 15.217 11.861 13.832 1.00 43.24 C ATOM 225 CD LYS A 15 16.468 11.013 13.672 1.00 42.32 C ATOM 226 CE LYS A 15 16.138 9.626 13.142 1.00 13.35 C ATOM 227 NZ LYS A 15 17.035 8.585 13.715 1.00 54.24 N ATOM 0 H LYS A 15 14.285 14.437 13.722 1.00 15.11 H new ATOM 0 HA LYS A 15 12.829 13.007 11.579 1.00 61.10 H new ATOM 0 HB2 LYS A 15 13.959 10.947 12.364 1.00 33.53 H new ATOM 0 HB3 LYS A 15 15.094 12.112 11.712 1.00 33.53 H new ATOM 0 HG2 LYS A 15 15.497 12.870 14.134 1.00 43.24 H new ATOM 0 HG3 LYS A 15 14.597 11.450 14.629 1.00 43.24 H new ATOM 0 HD2 LYS A 15 17.160 11.509 12.991 1.00 42.32 H new ATOM 0 HD3 LYS A 15 16.975 10.925 14.633 1.00 42.32 H new ATOM 0 HE2 LYS A 15 15.102 9.384 13.380 1.00 13.35 H new ATOM 0 HE3 LYS A 15 16.225 9.622 12.055 1.00 13.35 H new ATOM 0 HZ1 LYS A 15 16.778 7.654 13.329 1.00 54.24 H new ATOM 0 HZ2 LYS A 15 18.021 8.802 13.467 1.00 54.24 H new ATOM 0 HZ3 LYS A 15 16.933 8.571 14.750 1.00 54.24 H new ATOM 241 N LEU A 16 11.010 12.704 13.225 1.00 34.54 N ATOM 242 CA LEU A 16 9.917 12.407 14.146 1.00 74.21 C ATOM 243 C LEU A 16 9.089 11.227 13.645 1.00 21.12 C ATOM 244 O LEU A 16 7.894 11.361 13.383 1.00 53.23 O ATOM 245 CB LEU A 16 9.022 13.635 14.319 1.00 3.32 C ATOM 246 CG LEU A 16 9.241 14.772 13.320 1.00 72.34 C ATOM 247 CD1 LEU A 16 7.965 15.579 13.141 1.00 12.05 C ATOM 248 CD2 LEU A 16 10.383 15.669 13.774 1.00 74.01 C ATOM 0 H LEU A 16 10.712 12.942 12.279 1.00 34.54 H new ATOM 0 HA LEU A 16 10.349 12.141 15.111 1.00 74.21 H new ATOM 0 HB2 LEU A 16 7.982 13.314 14.252 1.00 3.32 H new ATOM 0 HB3 LEU A 16 9.170 14.028 15.325 1.00 3.32 H new ATOM 0 HG LEU A 16 9.509 14.337 12.357 1.00 72.34 H new ATOM 0 HD11 LEU A 16 8.140 16.383 12.427 1.00 12.05 H new ATOM 0 HD12 LEU A 16 7.173 14.929 12.769 1.00 12.05 H new ATOM 0 HD13 LEU A 16 7.666 16.004 14.099 1.00 12.05 H new ATOM 0 HD21 LEU A 16 10.524 16.472 13.051 1.00 74.01 H new ATOM 0 HD22 LEU A 16 10.145 16.096 14.748 1.00 74.01 H new ATOM 0 HD23 LEU A 16 11.299 15.083 13.848 1.00 74.01 H new ATOM 260 N PHE A 17 9.732 10.072 13.518 1.00 61.44 N ATOM 261 CA PHE A 17 9.056 8.867 13.051 1.00 73.03 C ATOM 262 C PHE A 17 9.158 7.750 14.085 1.00 62.24 C ATOM 263 O PHE A 17 10.106 7.698 14.869 1.00 54.21 O ATOM 264 CB PHE A 17 9.653 8.403 11.721 1.00 45.33 C ATOM 265 CG PHE A 17 8.669 8.407 10.587 1.00 52.43 C ATOM 266 CD1 PHE A 17 7.611 7.513 10.566 1.00 2.22 C ATOM 267 CD2 PHE A 17 8.801 9.307 9.541 1.00 51.41 C ATOM 268 CE1 PHE A 17 6.705 7.515 9.524 1.00 32.20 C ATOM 269 CE2 PHE A 17 7.897 9.314 8.495 1.00 32.41 C ATOM 270 CZ PHE A 17 6.847 8.417 8.487 1.00 2.11 C ATOM 0 H PHE A 17 10.721 9.944 13.732 1.00 61.44 H new ATOM 0 HA PHE A 17 8.003 9.106 12.904 1.00 73.03 H new ATOM 0 HB2 PHE A 17 10.493 9.048 11.464 1.00 45.33 H new ATOM 0 HB3 PHE A 17 10.051 7.395 11.843 1.00 45.33 H new ATOM 0 HD1 PHE A 17 7.493 6.806 11.374 1.00 2.22 H new ATOM 0 HD2 PHE A 17 9.620 10.011 9.543 1.00 51.41 H new ATOM 0 HE1 PHE A 17 5.885 6.812 9.520 1.00 32.20 H new ATOM 0 HE2 PHE A 17 8.012 10.020 7.686 1.00 32.41 H new ATOM 0 HZ PHE A 17 6.138 8.421 7.672 1.00 2.11 H new ATOM 280 N LYS A 18 8.175 6.856 14.080 1.00 70.11 N ATOM 281 CA LYS A 18 8.153 5.738 15.016 1.00 75.22 C ATOM 282 C LYS A 18 7.879 4.425 14.289 1.00 75.42 C ATOM 283 O LYS A 18 6.865 4.283 13.606 1.00 53.13 O ATOM 284 CB LYS A 18 7.090 5.968 16.093 1.00 41.41 C ATOM 285 CG LYS A 18 6.871 7.434 16.426 1.00 35.34 C ATOM 286 CD LYS A 18 6.506 7.624 17.889 1.00 72.30 C ATOM 287 CE LYS A 18 6.564 9.089 18.292 1.00 22.33 C ATOM 288 NZ LYS A 18 5.225 9.737 18.221 1.00 73.02 N ATOM 0 H LYS A 18 7.383 6.884 13.438 1.00 70.11 H new ATOM 0 HA LYS A 18 9.133 5.674 15.489 1.00 75.22 H new ATOM 0 HB2 LYS A 18 6.147 5.535 15.760 1.00 41.41 H new ATOM 0 HB3 LYS A 18 7.382 5.438 16.999 1.00 41.41 H new ATOM 0 HG2 LYS A 18 7.775 7.999 16.199 1.00 35.34 H new ATOM 0 HG3 LYS A 18 6.077 7.837 15.797 1.00 35.34 H new ATOM 0 HD2 LYS A 18 5.503 7.236 18.068 1.00 72.30 H new ATOM 0 HD3 LYS A 18 7.188 7.047 18.513 1.00 72.30 H new ATOM 0 HE2 LYS A 18 6.954 9.171 19.306 1.00 22.33 H new ATOM 0 HE3 LYS A 18 7.259 9.618 17.639 1.00 22.33 H new ATOM 0 HZ1 LYS A 18 5.307 10.735 18.503 1.00 73.02 H new ATOM 0 HZ2 LYS A 18 4.863 9.681 17.247 1.00 73.02 H new ATOM 0 HZ3 LYS A 18 4.568 9.248 18.863 1.00 73.02 H new ATOM 302 N ALA A 19 8.788 3.468 14.443 1.00 74.00 N ATOM 303 CA ALA A 19 8.642 2.165 13.803 1.00 12.34 C ATOM 304 C ALA A 19 7.473 1.390 14.401 1.00 64.51 C ATOM 305 O ALA A 19 7.383 1.222 15.616 1.00 24.24 O ATOM 306 CB ALA A 19 9.930 1.367 13.932 1.00 1.03 C ATOM 0 H ALA A 19 9.633 3.570 15.005 1.00 74.00 H new ATOM 0 HA ALA A 19 8.434 2.327 12.745 1.00 12.34 H new ATOM 0 HB1 ALA A 19 9.807 0.397 13.450 1.00 1.03 H new ATOM 0 HB2 ALA A 19 10.744 1.910 13.452 1.00 1.03 H new ATOM 0 HB3 ALA A 19 10.164 1.221 14.987 1.00 1.03 H new ATOM 312 N GLY A 20 6.578 0.917 13.537 1.00 70.02 N ATOM 313 CA GLY A 20 5.427 0.165 13.999 1.00 62.02 C ATOM 314 C GLY A 20 4.291 1.062 14.449 1.00 32.54 C ATOM 315 O GLY A 20 3.390 0.623 15.165 1.00 64.35 O ATOM 0 H GLY A 20 6.631 1.042 12.526 1.00 70.02 H new ATOM 0 HA2 GLY A 20 5.077 -0.486 13.198 1.00 62.02 H new ATOM 0 HA3 GLY A 20 5.726 -0.480 14.825 1.00 62.02 H new ATOM 319 N ASP A 21 4.334 2.322 14.032 1.00 20.02 N ATOM 320 CA ASP A 21 3.300 3.284 14.398 1.00 23.31 C ATOM 321 C ASP A 21 2.475 3.685 13.179 1.00 73.43 C ATOM 322 O ASP A 21 2.958 3.642 12.047 1.00 20.43 O ATOM 323 CB ASP A 21 3.930 4.524 15.034 1.00 32.34 C ATOM 324 CG ASP A 21 4.083 4.389 16.537 1.00 15.51 C ATOM 325 OD1 ASP A 21 4.579 3.337 16.991 1.00 72.11 O ATOM 326 OD2 ASP A 21 3.709 5.338 17.258 1.00 73.52 O ATOM 0 H ASP A 21 5.073 2.702 13.440 1.00 20.02 H new ATOM 0 HA ASP A 21 2.637 2.811 15.123 1.00 23.31 H new ATOM 0 HB2 ASP A 21 4.908 4.701 14.587 1.00 32.34 H new ATOM 0 HB3 ASP A 21 3.315 5.396 14.811 1.00 32.34 H new ATOM 331 N LYS A 22 1.228 4.076 13.418 1.00 62.54 N ATOM 332 CA LYS A 22 0.335 4.484 12.340 1.00 11.34 C ATOM 333 C LYS A 22 0.454 5.982 12.074 1.00 71.02 C ATOM 334 O LYS A 22 0.572 6.780 13.003 1.00 12.31 O ATOM 335 CB LYS A 22 -1.113 4.132 12.689 1.00 53.32 C ATOM 336 CG LYS A 22 -1.334 2.651 12.944 1.00 5.30 C ATOM 337 CD LYS A 22 -2.350 2.421 14.050 1.00 0.31 C ATOM 338 CE LYS A 22 -3.765 2.714 13.578 1.00 53.14 C ATOM 339 NZ LYS A 22 -4.352 1.562 12.839 1.00 74.40 N ATOM 0 H LYS A 22 0.813 4.119 14.349 1.00 62.54 H new ATOM 0 HA LYS A 22 0.626 3.947 11.437 1.00 11.34 H new ATOM 0 HB2 LYS A 22 -1.411 4.693 13.575 1.00 53.32 H new ATOM 0 HB3 LYS A 22 -1.763 4.453 11.875 1.00 53.32 H new ATOM 0 HG2 LYS A 22 -1.677 2.170 12.028 1.00 5.30 H new ATOM 0 HG3 LYS A 22 -0.388 2.182 13.215 1.00 5.30 H new ATOM 0 HD2 LYS A 22 -2.287 1.389 14.394 1.00 0.31 H new ATOM 0 HD3 LYS A 22 -2.111 3.057 14.903 1.00 0.31 H new ATOM 0 HE2 LYS A 22 -4.392 2.952 14.437 1.00 53.14 H new ATOM 0 HE3 LYS A 22 -3.758 3.593 12.934 1.00 53.14 H new ATOM 0 HZ1 LYS A 22 -5.317 1.801 12.534 1.00 74.40 H new ATOM 0 HZ2 LYS A 22 -3.768 1.350 12.005 1.00 74.40 H new ATOM 0 HZ3 LYS A 22 -4.382 0.729 13.461 1.00 74.40 H new ATOM 353 N VAL A 23 0.422 6.356 10.799 1.00 51.13 N ATOM 354 CA VAL A 23 0.524 7.757 10.411 1.00 54.34 C ATOM 355 C VAL A 23 -0.849 8.342 10.095 1.00 63.51 C ATOM 356 O VAL A 23 -1.788 7.612 9.775 1.00 53.40 O ATOM 357 CB VAL A 23 1.439 7.935 9.184 1.00 2.25 C ATOM 358 CG1 VAL A 23 2.852 7.470 9.501 1.00 4.10 C ATOM 359 CG2 VAL A 23 0.877 7.183 7.987 1.00 21.11 C ATOM 0 H VAL A 23 0.326 5.708 10.017 1.00 51.13 H new ATOM 0 HA VAL A 23 0.957 8.289 11.259 1.00 54.34 H new ATOM 0 HB VAL A 23 1.479 8.995 8.932 1.00 2.25 H new ATOM 0 HG11 VAL A 23 3.484 7.603 8.623 1.00 4.10 H new ATOM 0 HG12 VAL A 23 3.251 8.057 10.328 1.00 4.10 H new ATOM 0 HG13 VAL A 23 2.834 6.416 9.779 1.00 4.10 H new ATOM 0 HG21 VAL A 23 1.536 7.320 7.129 1.00 21.11 H new ATOM 0 HG22 VAL A 23 0.806 6.122 8.225 1.00 21.11 H new ATOM 0 HG23 VAL A 23 -0.114 7.568 7.748 1.00 21.11 H new ATOM 369 N LYS A 24 -0.958 9.662 10.187 1.00 55.31 N ATOM 370 CA LYS A 24 -2.215 10.347 9.910 1.00 54.43 C ATOM 371 C LYS A 24 -2.109 11.190 8.641 1.00 24.31 C ATOM 372 O LYS A 24 -1.034 11.684 8.301 1.00 0.33 O ATOM 373 CB LYS A 24 -2.608 11.235 11.093 1.00 53.42 C ATOM 374 CG LYS A 24 -3.555 12.362 10.719 1.00 40.11 C ATOM 375 CD LYS A 24 -4.952 11.842 10.423 1.00 25.32 C ATOM 376 CE LYS A 24 -5.638 12.667 9.346 1.00 51.21 C ATOM 377 NZ LYS A 24 -6.318 13.865 9.913 1.00 42.14 N ATOM 0 H LYS A 24 -0.191 10.280 10.451 1.00 55.31 H new ATOM 0 HA LYS A 24 -2.985 9.591 9.759 1.00 54.43 H new ATOM 0 HB2 LYS A 24 -3.076 10.618 11.860 1.00 53.42 H new ATOM 0 HB3 LYS A 24 -1.706 11.660 11.533 1.00 53.42 H new ATOM 0 HG2 LYS A 24 -3.600 13.086 11.533 1.00 40.11 H new ATOM 0 HG3 LYS A 24 -3.169 12.888 9.846 1.00 40.11 H new ATOM 0 HD2 LYS A 24 -4.894 10.801 10.104 1.00 25.32 H new ATOM 0 HD3 LYS A 24 -5.550 11.863 11.334 1.00 25.32 H new ATOM 0 HE2 LYS A 24 -4.902 12.983 8.607 1.00 51.21 H new ATOM 0 HE3 LYS A 24 -6.368 12.048 8.824 1.00 51.21 H new ATOM 0 HZ1 LYS A 24 -6.773 14.401 9.147 1.00 42.14 H new ATOM 0 HZ2 LYS A 24 -7.038 13.563 10.600 1.00 42.14 H new ATOM 0 HZ3 LYS A 24 -5.618 14.469 10.389 1.00 42.14 H new ATOM 391 N LYS A 25 -3.230 11.349 7.947 1.00 64.23 N ATOM 392 CA LYS A 25 -3.263 12.134 6.718 1.00 73.13 C ATOM 393 C LYS A 25 -2.861 13.580 6.985 1.00 12.42 C ATOM 394 O LYS A 25 -3.704 14.423 7.289 1.00 34.30 O ATOM 395 CB LYS A 25 -4.661 12.088 6.098 1.00 15.10 C ATOM 396 CG LYS A 25 -5.329 10.727 6.201 1.00 4.23 C ATOM 397 CD LYS A 25 -5.782 10.223 4.841 1.00 45.51 C ATOM 398 CE LYS A 25 -6.738 11.199 4.175 1.00 73.14 C ATOM 399 NZ LYS A 25 -7.902 10.502 3.561 1.00 54.42 N ATOM 0 H LYS A 25 -4.128 10.945 8.214 1.00 64.23 H new ATOM 0 HA LYS A 25 -2.547 11.700 6.019 1.00 73.13 H new ATOM 0 HB2 LYS A 25 -5.291 12.830 6.588 1.00 15.10 H new ATOM 0 HB3 LYS A 25 -4.593 12.371 5.048 1.00 15.10 H new ATOM 0 HG2 LYS A 25 -4.634 10.012 6.642 1.00 4.23 H new ATOM 0 HG3 LYS A 25 -6.187 10.792 6.870 1.00 4.23 H new ATOM 0 HD2 LYS A 25 -4.913 10.069 4.201 1.00 45.51 H new ATOM 0 HD3 LYS A 25 -6.270 9.255 4.955 1.00 45.51 H new ATOM 0 HE2 LYS A 25 -7.093 11.920 4.912 1.00 73.14 H new ATOM 0 HE3 LYS A 25 -6.206 11.763 3.408 1.00 73.14 H new ATOM 0 HZ1 LYS A 25 -8.531 11.201 3.117 1.00 54.42 H new ATOM 0 HZ2 LYS A 25 -7.565 9.832 2.840 1.00 54.42 H new ATOM 0 HZ3 LYS A 25 -8.424 9.985 4.297 1.00 54.42 H new ATOM 413 N GLY A 26 -1.567 13.861 6.868 1.00 55.15 N ATOM 414 CA GLY A 26 -1.076 15.208 7.098 1.00 41.21 C ATOM 415 C GLY A 26 -0.335 15.337 8.414 1.00 44.32 C ATOM 416 O GLY A 26 -0.127 16.444 8.910 1.00 43.52 O ATOM 0 H GLY A 26 -0.850 13.180 6.618 1.00 55.15 H new ATOM 0 HA2 GLY A 26 -0.413 15.494 6.282 1.00 41.21 H new ATOM 0 HA3 GLY A 26 -1.915 15.904 7.087 1.00 41.21 H new ATOM 420 N GLN A 27 0.063 14.202 8.981 1.00 1.52 N ATOM 421 CA GLN A 27 0.783 14.194 10.250 1.00 50.53 C ATOM 422 C GLN A 27 2.282 14.368 10.025 1.00 12.14 C ATOM 423 O GLN A 27 2.869 13.725 9.154 1.00 54.42 O ATOM 424 CB GLN A 27 0.516 12.891 11.004 1.00 63.11 C ATOM 425 CG GLN A 27 0.182 13.096 12.473 1.00 74.22 C ATOM 426 CD GLN A 27 0.733 11.994 13.355 1.00 31.13 C ATOM 427 OE1 GLN A 27 0.330 10.759 13.082 1.00 14.11 O flip ATOM 428 NE2 GLN A 27 1.513 12.249 14.274 1.00 60.11 N flip ATOM 0 H GLN A 27 -0.101 13.277 8.583 1.00 1.52 H new ATOM 0 HA GLN A 27 0.424 15.031 10.849 1.00 50.53 H new ATOM 0 HB2 GLN A 27 -0.308 12.365 10.523 1.00 63.11 H new ATOM 0 HB3 GLN A 27 1.393 12.249 10.926 1.00 63.11 H new ATOM 0 HG2 GLN A 27 0.583 14.055 12.803 1.00 74.22 H new ATOM 0 HG3 GLN A 27 -0.900 13.145 12.592 1.00 74.22 H new ATOM 0 HE21 GLN A 27 1.797 13.213 14.449 1.00 60.11 H new ATOM 0 HE22 GLN A 27 1.875 11.496 14.860 1.00 60.11 H new ATOM 437 N THR A 28 2.897 15.242 10.817 1.00 71.30 N ATOM 438 CA THR A 28 4.326 15.501 10.705 1.00 54.35 C ATOM 439 C THR A 28 5.142 14.322 11.221 1.00 71.43 C ATOM 440 O THR A 28 4.909 13.829 12.325 1.00 70.32 O ATOM 441 CB THR A 28 4.730 16.769 11.480 1.00 73.40 C ATOM 442 OG1 THR A 28 3.575 17.578 11.731 1.00 42.43 O ATOM 443 CG2 THR A 28 5.761 17.574 10.703 1.00 42.24 C ATOM 0 H THR A 28 2.426 15.782 11.543 1.00 71.30 H new ATOM 0 HA THR A 28 4.537 15.649 9.646 1.00 54.35 H new ATOM 0 HB THR A 28 5.172 16.463 12.428 1.00 73.40 H new ATOM 0 HG1 THR A 28 3.840 18.382 12.226 1.00 42.43 H new ATOM 0 HG21 THR A 28 6.030 18.465 11.271 1.00 42.24 H new ATOM 0 HG22 THR A 28 6.650 16.965 10.540 1.00 42.24 H new ATOM 0 HG23 THR A 28 5.342 17.870 9.741 1.00 42.24 H new ATOM 451 N LEU A 29 6.099 13.873 10.416 1.00 5.11 N ATOM 452 CA LEU A 29 6.951 12.750 10.792 1.00 23.35 C ATOM 453 C LEU A 29 8.406 13.023 10.427 1.00 34.03 C ATOM 454 O LEU A 29 9.325 12.529 11.080 1.00 73.11 O ATOM 455 CB LEU A 29 6.472 11.469 10.107 1.00 51.41 C ATOM 456 CG LEU A 29 4.980 11.159 10.228 1.00 44.40 C ATOM 457 CD1 LEU A 29 4.479 10.448 8.982 1.00 64.35 C ATOM 458 CD2 LEU A 29 4.709 10.321 11.469 1.00 33.05 C ATOM 0 H LEU A 29 6.304 14.269 9.499 1.00 5.11 H new ATOM 0 HA LEU A 29 6.886 12.623 11.873 1.00 23.35 H new ATOM 0 HB2 LEU A 29 6.725 11.531 9.049 1.00 51.41 H new ATOM 0 HB3 LEU A 29 7.031 10.629 10.520 1.00 51.41 H new ATOM 0 HG LEU A 29 4.440 12.101 10.325 1.00 44.40 H new ATOM 0 HD11 LEU A 29 3.415 10.236 9.087 1.00 64.35 H new ATOM 0 HD12 LEU A 29 4.638 11.084 8.111 1.00 64.35 H new ATOM 0 HD13 LEU A 29 5.024 9.513 8.852 1.00 64.35 H new ATOM 0 HD21 LEU A 29 3.642 10.110 11.539 1.00 33.05 H new ATOM 0 HD22 LEU A 29 5.261 9.383 11.403 1.00 33.05 H new ATOM 0 HD23 LEU A 29 5.030 10.869 12.355 1.00 33.05 H new ATOM 470 N PHE A 30 8.608 13.816 9.380 1.00 1.44 N ATOM 471 CA PHE A 30 9.952 14.158 8.927 1.00 4.21 C ATOM 472 C PHE A 30 10.060 15.648 8.622 1.00 45.53 C ATOM 473 O PHE A 30 9.053 16.351 8.539 1.00 22.23 O ATOM 474 CB PHE A 30 10.316 13.343 7.685 1.00 43.42 C ATOM 475 CG PHE A 30 11.066 12.079 7.995 1.00 4.03 C ATOM 476 CD1 PHE A 30 12.140 12.093 8.871 1.00 44.24 C ATOM 477 CD2 PHE A 30 10.698 10.878 7.412 1.00 63.54 C ATOM 478 CE1 PHE A 30 12.832 10.931 9.159 1.00 42.54 C ATOM 479 CE2 PHE A 30 11.386 9.713 7.697 1.00 51.51 C ATOM 480 CZ PHE A 30 12.456 9.741 8.571 1.00 75.25 C ATOM 0 H PHE A 30 7.858 14.234 8.829 1.00 1.44 H new ATOM 0 HA PHE A 30 10.651 13.918 9.728 1.00 4.21 H new ATOM 0 HB2 PHE A 30 9.403 13.091 7.145 1.00 43.42 H new ATOM 0 HB3 PHE A 30 10.920 13.960 7.020 1.00 43.42 H new ATOM 0 HD1 PHE A 30 12.440 13.022 9.334 1.00 44.24 H new ATOM 0 HD2 PHE A 30 9.864 10.851 6.727 1.00 63.54 H new ATOM 0 HE1 PHE A 30 13.667 10.955 9.844 1.00 42.54 H new ATOM 0 HE2 PHE A 30 11.088 8.782 7.237 1.00 51.51 H new ATOM 0 HZ PHE A 30 12.997 8.833 8.793 1.00 75.25 H new ATOM 490 N ILE A 31 11.290 16.124 8.456 1.00 73.33 N ATOM 491 CA ILE A 31 11.531 17.531 8.158 1.00 71.21 C ATOM 492 C ILE A 31 12.786 17.706 7.311 1.00 42.14 C ATOM 493 O ILE A 31 13.791 17.025 7.521 1.00 22.44 O ATOM 494 CB ILE A 31 11.675 18.361 9.447 1.00 44.12 C ATOM 495 CG1 ILE A 31 10.532 18.045 10.414 1.00 21.22 C ATOM 496 CG2 ILE A 31 11.704 19.847 9.119 1.00 74.30 C ATOM 497 CD1 ILE A 31 10.537 18.906 11.658 1.00 60.11 C ATOM 0 H ILE A 31 12.135 15.556 8.523 1.00 73.33 H new ATOM 0 HA ILE A 31 10.666 17.889 7.599 1.00 71.21 H new ATOM 0 HB ILE A 31 12.616 18.097 9.929 1.00 44.12 H new ATOM 0 HG12 ILE A 31 9.582 18.175 9.896 1.00 21.22 H new ATOM 0 HG13 ILE A 31 10.594 16.997 10.707 1.00 21.22 H new ATOM 0 HG21 ILE A 31 11.806 20.421 10.040 1.00 74.30 H new ATOM 0 HG22 ILE A 31 12.549 20.059 8.464 1.00 74.30 H new ATOM 0 HG23 ILE A 31 10.777 20.127 8.618 1.00 74.30 H new ATOM 0 HD11 ILE A 31 9.699 18.627 12.297 1.00 60.11 H new ATOM 0 HD12 ILE A 31 11.472 18.758 12.199 1.00 60.11 H new ATOM 0 HD13 ILE A 31 10.444 19.955 11.375 1.00 60.11 H new ATOM 509 N ILE A 32 12.724 18.625 6.354 1.00 52.42 N ATOM 510 CA ILE A 32 13.857 18.893 5.477 1.00 52.23 C ATOM 511 C ILE A 32 13.964 20.380 5.154 1.00 32.41 C ATOM 512 O ILE A 32 12.956 21.046 4.917 1.00 43.35 O ATOM 513 CB ILE A 32 13.750 18.100 4.161 1.00 73.12 C ATOM 514 CG1 ILE A 32 14.105 16.630 4.395 1.00 53.44 C ATOM 515 CG2 ILE A 32 14.656 18.708 3.100 1.00 21.54 C ATOM 516 CD1 ILE A 32 13.596 15.706 3.311 1.00 60.32 C ATOM 0 H ILE A 32 11.901 19.197 6.166 1.00 52.42 H new ATOM 0 HA ILE A 32 14.752 18.575 6.012 1.00 52.23 H new ATOM 0 HB ILE A 32 12.721 18.153 3.805 1.00 73.12 H new ATOM 0 HG12 ILE A 32 15.188 16.533 4.465 1.00 53.44 H new ATOM 0 HG13 ILE A 32 13.694 16.313 5.354 1.00 53.44 H new ATOM 0 HG21 ILE A 32 14.569 18.136 2.176 1.00 21.54 H new ATOM 0 HG22 ILE A 32 14.360 19.741 2.917 1.00 21.54 H new ATOM 0 HG23 ILE A 32 15.689 18.683 3.446 1.00 21.54 H new ATOM 0 HD11 ILE A 32 13.884 14.680 3.542 1.00 60.32 H new ATOM 0 HD12 ILE A 32 12.510 15.774 3.256 1.00 60.32 H new ATOM 0 HD13 ILE A 32 14.027 15.997 2.353 1.00 60.32 H new ATOM 528 N GLU A 33 15.191 20.891 5.145 1.00 73.33 N ATOM 529 CA GLU A 33 15.428 22.299 4.851 1.00 52.14 C ATOM 530 C GLU A 33 15.945 22.477 3.426 1.00 73.22 C ATOM 531 O GLU A 33 16.865 21.781 2.997 1.00 3.41 O ATOM 532 CB GLU A 33 16.429 22.890 5.846 1.00 41.25 C ATOM 533 CG GLU A 33 16.984 24.239 5.422 1.00 14.51 C ATOM 534 CD GLU A 33 18.451 24.175 5.043 1.00 22.31 C ATOM 535 OE1 GLU A 33 18.784 23.451 4.081 1.00 15.45 O ATOM 536 OE2 GLU A 33 19.266 24.846 5.710 1.00 12.30 O ATOM 0 H GLU A 33 16.035 20.352 5.338 1.00 73.33 H new ATOM 0 HA GLU A 33 14.479 22.828 4.944 1.00 52.14 H new ATOM 0 HB2 GLU A 33 15.945 22.995 6.817 1.00 41.25 H new ATOM 0 HB3 GLU A 33 17.255 22.191 5.976 1.00 41.25 H new ATOM 0 HG2 GLU A 33 16.410 24.613 4.574 1.00 14.51 H new ATOM 0 HG3 GLU A 33 16.854 24.953 6.235 1.00 14.51 H new ATOM 543 N GLN A 34 15.345 23.414 2.697 1.00 64.15 N ATOM 544 CA GLN A 34 15.744 23.681 1.321 1.00 53.25 C ATOM 545 C GLN A 34 17.032 24.499 1.276 1.00 31.41 C ATOM 546 O GLN A 34 17.377 25.182 2.239 1.00 1.33 O ATOM 547 CB GLN A 34 14.630 24.423 0.580 1.00 33.51 C ATOM 548 CG GLN A 34 13.454 23.536 0.203 1.00 43.04 C ATOM 549 CD GLN A 34 12.528 23.266 1.372 1.00 1.21 C ATOM 550 OE1 GLN A 34 12.730 22.137 2.041 1.00 74.13 O flip ATOM 551 NE2 GLN A 34 11.639 24.065 1.671 1.00 41.32 N flip ATOM 0 H GLN A 34 14.582 24.000 3.037 1.00 64.15 H new ATOM 0 HA GLN A 34 15.925 22.725 0.830 1.00 53.25 H new ATOM 0 HB2 GLN A 34 14.272 25.241 1.205 1.00 33.51 H new ATOM 0 HB3 GLN A 34 15.042 24.870 -0.325 1.00 33.51 H new ATOM 0 HG2 GLN A 34 12.890 24.009 -0.601 1.00 43.04 H new ATOM 0 HG3 GLN A 34 13.828 22.589 -0.185 1.00 43.04 H new ATOM 0 HE21 GLN A 34 11.519 24.921 1.129 1.00 41.32 H new ATOM 0 HE22 GLN A 34 11.023 23.871 2.460 1.00 41.32 H new ATOM 701 N SER A 44 15.613 32.171 2.636 1.00 64.43 N ATOM 702 CA SER A 44 16.143 32.622 3.917 1.00 51.41 C ATOM 703 C SER A 44 15.120 32.420 5.030 1.00 12.32 C ATOM 704 O SER A 44 14.244 31.560 4.936 1.00 64.41 O ATOM 705 CB SER A 44 16.540 34.098 3.835 1.00 23.25 C ATOM 706 OG SER A 44 17.369 34.464 4.925 1.00 24.50 O ATOM 0 HA SER A 44 17.026 32.026 4.148 1.00 51.41 H new ATOM 0 HB2 SER A 44 17.063 34.286 2.897 1.00 23.25 H new ATOM 0 HB3 SER A 44 15.644 34.719 3.830 1.00 23.25 H new ATOM 0 HG SER A 44 17.610 35.411 4.849 1.00 24.50 H new ATOM 712 N LYS A 45 15.236 33.220 6.084 1.00 23.42 N ATOM 713 CA LYS A 45 14.322 33.131 7.217 1.00 40.10 C ATOM 714 C LYS A 45 12.880 32.988 6.742 1.00 33.10 C ATOM 715 O LYS A 45 12.251 31.949 6.943 1.00 54.42 O ATOM 716 CB LYS A 45 14.456 34.370 8.106 1.00 61.25 C ATOM 717 CG LYS A 45 15.768 34.430 8.870 1.00 52.22 C ATOM 718 CD LYS A 45 16.821 35.219 8.109 1.00 1.45 C ATOM 719 CE LYS A 45 18.109 34.425 7.958 1.00 55.23 C ATOM 720 NZ LYS A 45 19.170 34.907 8.885 1.00 31.24 N ATOM 0 H LYS A 45 15.954 33.938 6.178 1.00 23.42 H new ATOM 0 HA LYS A 45 14.586 32.246 7.796 1.00 40.10 H new ATOM 0 HB2 LYS A 45 14.364 35.263 7.487 1.00 61.25 H new ATOM 0 HB3 LYS A 45 13.630 34.388 8.817 1.00 61.25 H new ATOM 0 HG2 LYS A 45 15.602 34.889 9.845 1.00 52.22 H new ATOM 0 HG3 LYS A 45 16.131 33.418 9.052 1.00 52.22 H new ATOM 0 HD2 LYS A 45 16.438 35.484 7.124 1.00 1.45 H new ATOM 0 HD3 LYS A 45 17.027 36.153 8.632 1.00 1.45 H new ATOM 0 HE2 LYS A 45 17.910 33.371 8.150 1.00 55.23 H new ATOM 0 HE3 LYS A 45 18.463 34.500 6.930 1.00 55.23 H new ATOM 0 HZ1 LYS A 45 20.032 34.340 8.751 1.00 31.24 H new ATOM 0 HZ2 LYS A 45 19.378 35.906 8.685 1.00 31.24 H new ATOM 0 HZ3 LYS A 45 18.842 34.812 9.867 1.00 31.24 H new ATOM 734 N ALA A 46 12.362 34.037 6.111 1.00 74.21 N ATOM 735 CA ALA A 46 10.996 34.026 5.605 1.00 33.00 C ATOM 736 C ALA A 46 10.644 35.355 4.943 1.00 21.53 C ATOM 737 O ALA A 46 11.450 36.286 4.933 1.00 54.43 O ATOM 738 CB ALA A 46 10.018 33.719 6.729 1.00 24.41 C ATOM 0 H ALA A 46 12.869 34.905 5.938 1.00 74.21 H new ATOM 0 HA ALA A 46 10.922 33.243 4.850 1.00 33.00 H new ATOM 0 HB1 ALA A 46 9.001 33.714 6.336 1.00 24.41 H new ATOM 0 HB2 ALA A 46 10.247 32.742 7.154 1.00 24.41 H new ATOM 0 HB3 ALA A 46 10.104 34.481 7.504 1.00 24.41 H new ATOM 744 N LEU A 47 9.438 35.435 4.393 1.00 32.04 N ATOM 745 CA LEU A 47 8.979 36.651 3.729 1.00 62.31 C ATOM 746 C LEU A 47 7.627 37.094 4.278 1.00 72.40 C ATOM 747 O LEU A 47 7.172 36.603 5.311 1.00 63.43 O ATOM 748 CB LEU A 47 8.881 36.425 2.220 1.00 63.05 C ATOM 749 CG LEU A 47 9.944 35.512 1.607 1.00 40.12 C ATOM 750 CD1 LEU A 47 11.334 35.926 2.068 1.00 12.22 C ATOM 751 CD2 LEU A 47 9.672 34.059 1.967 1.00 0.32 C ATOM 0 H LEU A 47 8.760 34.673 4.393 1.00 32.04 H new ATOM 0 HA LEU A 47 9.706 37.439 3.925 1.00 62.31 H new ATOM 0 HB2 LEU A 47 7.899 36.006 1.999 1.00 63.05 H new ATOM 0 HB3 LEU A 47 8.933 37.394 1.724 1.00 63.05 H new ATOM 0 HG LEU A 47 9.898 35.611 0.522 1.00 40.12 H new ATOM 0 HD11 LEU A 47 12.077 35.265 1.622 1.00 12.22 H new ATOM 0 HD12 LEU A 47 11.529 36.953 1.759 1.00 12.22 H new ATOM 0 HD13 LEU A 47 11.393 35.857 3.154 1.00 12.22 H new ATOM 0 HD21 LEU A 47 10.438 33.424 1.522 1.00 0.32 H new ATOM 0 HD22 LEU A 47 9.689 33.943 3.051 1.00 0.32 H new ATOM 0 HD23 LEU A 47 8.693 33.767 1.586 1.00 0.32 H new ATOM 763 N PHE A 48 6.987 38.024 3.577 1.00 13.32 N ATOM 764 CA PHE A 48 5.685 38.533 3.993 1.00 73.45 C ATOM 765 C PHE A 48 4.629 38.264 2.924 1.00 41.12 C ATOM 766 O PHE A 48 3.564 37.720 3.213 1.00 74.40 O ATOM 767 CB PHE A 48 5.767 40.035 4.278 1.00 63.24 C ATOM 768 CG PHE A 48 6.496 40.807 3.215 1.00 34.53 C ATOM 769 CD1 PHE A 48 7.881 40.832 3.185 1.00 32.42 C ATOM 770 CD2 PHE A 48 5.795 41.507 2.245 1.00 4.14 C ATOM 771 CE1 PHE A 48 8.553 41.543 2.209 1.00 20.00 C ATOM 772 CE2 PHE A 48 6.462 42.219 1.267 1.00 44.14 C ATOM 773 CZ PHE A 48 7.843 42.236 1.247 1.00 23.34 C ATOM 0 H PHE A 48 7.348 38.440 2.719 1.00 13.32 H new ATOM 0 HA PHE A 48 5.394 38.013 4.906 1.00 73.45 H new ATOM 0 HB2 PHE A 48 4.757 40.434 4.378 1.00 63.24 H new ATOM 0 HB3 PHE A 48 6.266 40.189 5.235 1.00 63.24 H new ATOM 0 HD1 PHE A 48 8.441 40.290 3.932 1.00 32.42 H new ATOM 0 HD2 PHE A 48 4.715 41.495 2.254 1.00 4.14 H new ATOM 0 HE1 PHE A 48 9.633 41.557 2.198 1.00 20.00 H new ATOM 0 HE2 PHE A 48 5.904 42.762 0.519 1.00 44.14 H new ATOM 0 HZ PHE A 48 8.367 42.789 0.482 1.00 23.34 H new ATOM 783 N SER A 49 4.934 38.651 1.690 1.00 71.35 N ATOM 784 CA SER A 49 4.010 38.455 0.578 1.00 54.15 C ATOM 785 C SER A 49 2.593 38.858 0.972 1.00 1.02 C ATOM 786 O SER A 49 1.702 38.014 1.072 1.00 62.32 O ATOM 787 CB SER A 49 4.030 36.995 0.121 1.00 61.10 C ATOM 788 OG SER A 49 3.059 36.762 -0.885 1.00 44.51 O ATOM 0 H SER A 49 5.813 39.102 1.434 1.00 71.35 H new ATOM 0 HA SER A 49 4.333 39.090 -0.247 1.00 54.15 H new ATOM 0 HB2 SER A 49 5.020 36.743 -0.259 1.00 61.10 H new ATOM 0 HB3 SER A 49 3.840 36.342 0.972 1.00 61.10 H new ATOM 0 HG SER A 49 2.162 36.871 -0.506 1.00 44.51 H new ATOM 794 N GLN A 50 2.392 40.153 1.195 1.00 64.01 N ATOM 795 CA GLN A 50 1.083 40.668 1.579 1.00 70.33 C ATOM 796 C GLN A 50 0.414 39.749 2.596 1.00 4.31 C ATOM 797 O GLN A 50 -0.772 39.441 2.484 1.00 53.21 O ATOM 798 CB GLN A 50 0.190 40.820 0.347 1.00 71.12 C ATOM 799 CG GLN A 50 -0.089 39.507 -0.368 1.00 12.11 C ATOM 800 CD GLN A 50 -1.225 39.617 -1.368 1.00 5.54 C ATOM 801 OE1 GLN A 50 -2.395 39.674 -0.991 1.00 32.00 O ATOM 802 NE2 GLN A 50 -0.883 39.647 -2.650 1.00 52.44 N ATOM 0 H GLN A 50 3.119 40.864 1.116 1.00 64.01 H new ATOM 0 HA GLN A 50 1.226 41.646 2.038 1.00 70.33 H new ATOM 0 HB2 GLN A 50 -0.757 41.269 0.648 1.00 71.12 H new ATOM 0 HB3 GLN A 50 0.663 41.511 -0.351 1.00 71.12 H new ATOM 0 HG2 GLN A 50 0.814 39.179 -0.884 1.00 12.11 H new ATOM 0 HG3 GLN A 50 -0.331 38.741 0.368 1.00 12.11 H new ATOM 0 HE21 GLN A 50 0.100 39.597 -2.917 1.00 52.44 H new ATOM 0 HE22 GLN A 50 -1.603 39.720 -3.368 1.00 52.44 H new ATOM 811 N SER A 51 1.184 39.314 3.589 1.00 11.55 N ATOM 812 CA SER A 51 0.666 38.427 4.625 1.00 41.45 C ATOM 813 C SER A 51 0.293 37.069 4.040 1.00 65.44 C ATOM 814 O SER A 51 -0.849 36.844 3.643 1.00 1.02 O ATOM 815 CB SER A 51 -0.553 39.055 5.301 1.00 14.44 C ATOM 816 OG SER A 51 -0.395 40.457 5.441 1.00 40.33 O ATOM 0 H SER A 51 2.168 39.561 3.698 1.00 11.55 H new ATOM 0 HA SER A 51 1.450 38.281 5.368 1.00 41.45 H new ATOM 0 HB2 SER A 51 -1.447 38.844 4.714 1.00 14.44 H new ATOM 0 HB3 SER A 51 -0.701 38.603 6.282 1.00 14.44 H new ATOM 0 HG SER A 51 -1.189 40.834 5.874 1.00 40.33 H new ATOM 822 N ALA A 52 1.268 36.166 3.991 1.00 72.24 N ATOM 823 CA ALA A 52 1.043 34.829 3.457 1.00 64.44 C ATOM 824 C ALA A 52 0.952 33.798 4.577 1.00 61.04 C ATOM 825 O ALA A 52 0.148 32.867 4.514 1.00 53.31 O ATOM 826 CB ALA A 52 2.151 34.456 2.482 1.00 24.24 C ATOM 0 H ALA A 52 2.220 36.337 4.315 1.00 72.24 H new ATOM 0 HA ALA A 52 0.092 34.833 2.925 1.00 64.44 H new ATOM 0 HB1 ALA A 52 1.970 33.455 2.091 1.00 24.24 H new ATOM 0 HB2 ALA A 52 2.166 35.170 1.658 1.00 24.24 H new ATOM 0 HB3 ALA A 52 3.111 34.476 2.997 1.00 24.24 H new ATOM 832 N ILE A 53 1.782 33.968 5.600 1.00 51.41 N ATOM 833 CA ILE A 53 1.795 33.053 6.734 1.00 63.02 C ATOM 834 C ILE A 53 1.520 33.792 8.040 1.00 72.52 C ATOM 835 O ILE A 53 2.412 34.423 8.607 1.00 3.04 O ATOM 836 CB ILE A 53 3.143 32.316 6.848 1.00 14.21 C ATOM 837 CG1 ILE A 53 4.294 33.251 6.470 1.00 73.51 C ATOM 838 CG2 ILE A 53 3.145 31.078 5.964 1.00 70.03 C ATOM 839 CD1 ILE A 53 5.596 32.914 7.159 1.00 4.52 C ATOM 0 H ILE A 53 2.455 34.732 5.667 1.00 51.41 H new ATOM 0 HA ILE A 53 1.005 32.323 6.559 1.00 63.02 H new ATOM 0 HB ILE A 53 3.282 32.000 7.882 1.00 14.21 H new ATOM 0 HG12 ILE A 53 4.443 33.213 5.391 1.00 73.51 H new ATOM 0 HG13 ILE A 53 4.016 34.275 6.718 1.00 73.51 H new ATOM 0 HG21 ILE A 53 4.104 30.568 6.055 1.00 70.03 H new ATOM 0 HG22 ILE A 53 2.345 30.406 6.277 1.00 70.03 H new ATOM 0 HG23 ILE A 53 2.987 31.372 4.926 1.00 70.03 H new ATOM 0 HD11 ILE A 53 6.367 33.617 6.844 1.00 4.52 H new ATOM 0 HD12 ILE A 53 5.464 32.980 8.239 1.00 4.52 H new ATOM 0 HD13 ILE A 53 5.898 31.901 6.892 1.00 4.52 H new ATOM 851 N SER A 54 0.281 33.707 8.512 1.00 22.55 N ATOM 852 CA SER A 54 -0.112 34.368 9.751 1.00 71.31 C ATOM 853 C SER A 54 0.862 34.038 10.877 1.00 61.51 C ATOM 854 O SER A 54 0.819 32.949 11.450 1.00 73.03 O ATOM 855 CB SER A 54 -1.529 33.951 10.149 1.00 34.40 C ATOM 856 OG SER A 54 -2.425 35.046 10.068 1.00 54.14 O ATOM 0 H SER A 54 -0.468 33.187 8.055 1.00 22.55 H new ATOM 0 HA SER A 54 -0.091 35.444 9.581 1.00 71.31 H new ATOM 0 HB2 SER A 54 -1.872 33.148 9.497 1.00 34.40 H new ATOM 0 HB3 SER A 54 -1.523 33.556 11.165 1.00 34.40 H new ATOM 0 HG SER A 54 -3.324 34.753 10.326 1.00 54.14 H new ATOM 862 N GLN A 55 1.740 34.985 11.188 1.00 2.40 N ATOM 863 CA GLN A 55 2.727 34.794 12.245 1.00 44.23 C ATOM 864 C GLN A 55 2.046 34.507 13.580 1.00 42.34 C ATOM 865 O GLN A 55 2.670 33.994 14.508 1.00 22.02 O ATOM 866 CB GLN A 55 3.618 36.031 12.369 1.00 72.13 C ATOM 867 CG GLN A 55 2.943 37.200 13.068 1.00 75.25 C ATOM 868 CD GLN A 55 3.688 38.506 12.874 1.00 42.14 C ATOM 869 OE1 GLN A 55 3.633 39.113 11.803 1.00 65.44 O ATOM 870 NE2 GLN A 55 4.391 38.946 13.910 1.00 1.12 N ATOM 0 H GLN A 55 1.789 35.892 10.724 1.00 2.40 H new ATOM 0 HA GLN A 55 3.344 33.935 11.981 1.00 44.23 H new ATOM 0 HB2 GLN A 55 4.522 35.764 12.917 1.00 72.13 H new ATOM 0 HB3 GLN A 55 3.930 36.345 11.373 1.00 72.13 H new ATOM 0 HG2 GLN A 55 1.926 37.307 12.690 1.00 75.25 H new ATOM 0 HG3 GLN A 55 2.866 36.985 14.134 1.00 75.25 H new ATOM 0 HE21 GLN A 55 4.409 38.411 14.778 1.00 1.12 H new ATOM 0 HE22 GLN A 55 4.914 39.819 13.838 1.00 1.12 H new ATOM 879 N LYS A 56 0.764 34.843 13.668 1.00 40.03 N ATOM 880 CA LYS A 56 -0.003 34.620 14.888 1.00 14.01 C ATOM 881 C LYS A 56 -0.623 33.226 14.896 1.00 54.43 C ATOM 882 O LYS A 56 -1.745 33.040 15.363 1.00 62.11 O ATOM 883 CB LYS A 56 -1.100 35.678 15.025 1.00 52.45 C ATOM 884 CG LYS A 56 -1.974 35.812 13.790 1.00 75.14 C ATOM 885 CD LYS A 56 -3.173 36.708 14.050 1.00 32.13 C ATOM 886 CE LYS A 56 -4.391 35.900 14.474 1.00 64.24 C ATOM 887 NZ LYS A 56 -5.156 36.578 15.556 1.00 10.44 N ATOM 0 H LYS A 56 0.234 35.271 12.909 1.00 40.03 H new ATOM 0 HA LYS A 56 0.679 34.699 15.735 1.00 14.01 H new ATOM 0 HB2 LYS A 56 -1.729 35.428 15.880 1.00 52.45 H new ATOM 0 HB3 LYS A 56 -0.639 36.642 15.240 1.00 52.45 H new ATOM 0 HG2 LYS A 56 -1.385 36.220 12.969 1.00 75.14 H new ATOM 0 HG3 LYS A 56 -2.317 34.826 13.477 1.00 75.14 H new ATOM 0 HD2 LYS A 56 -2.926 37.431 14.827 1.00 32.13 H new ATOM 0 HD3 LYS A 56 -3.407 37.275 13.149 1.00 32.13 H new ATOM 0 HE2 LYS A 56 -5.041 35.743 13.613 1.00 64.24 H new ATOM 0 HE3 LYS A 56 -4.073 34.915 14.816 1.00 64.24 H new ATOM 0 HZ1 LYS A 56 -5.978 35.996 15.817 1.00 10.44 H new ATOM 0 HZ2 LYS A 56 -4.544 36.705 16.387 1.00 10.44 H new ATOM 0 HZ3 LYS A 56 -5.482 37.507 15.221 1.00 10.44 H new ATOM 901 N GLU A 57 0.117 32.253 14.375 1.00 63.33 N ATOM 902 CA GLU A 57 -0.362 30.876 14.323 1.00 65.22 C ATOM 903 C GLU A 57 0.611 29.991 13.548 1.00 41.53 C ATOM 904 O GLU A 57 0.681 28.783 13.772 1.00 21.52 O ATOM 905 CB GLU A 57 -1.747 30.818 13.676 1.00 53.03 C ATOM 906 CG GLU A 57 -2.860 30.480 14.651 1.00 22.45 C ATOM 907 CD GLU A 57 -3.312 29.036 14.544 1.00 75.12 C ATOM 908 OE1 GLU A 57 -3.517 28.563 13.406 1.00 62.30 O ATOM 909 OE2 GLU A 57 -3.462 28.380 15.595 1.00 50.31 O ATOM 0 H GLU A 57 1.049 32.392 13.984 1.00 63.33 H new ATOM 0 HA GLU A 57 -0.431 30.503 15.345 1.00 65.22 H new ATOM 0 HB2 GLU A 57 -1.962 31.780 13.211 1.00 53.03 H new ATOM 0 HB3 GLU A 57 -1.736 30.075 12.879 1.00 53.03 H new ATOM 0 HG2 GLU A 57 -2.519 30.675 15.668 1.00 22.45 H new ATOM 0 HG3 GLU A 57 -3.710 31.137 14.468 1.00 22.45 H new ATOM 916 N TYR A 58 1.360 30.602 12.636 1.00 32.31 N ATOM 917 CA TYR A 58 2.326 29.870 11.826 1.00 15.41 C ATOM 918 C TYR A 58 3.249 29.031 12.704 1.00 25.31 C ATOM 919 O TYR A 58 3.303 29.214 13.920 1.00 12.03 O ATOM 920 CB TYR A 58 3.152 30.841 10.980 1.00 21.21 C ATOM 921 CG TYR A 58 4.343 31.419 11.711 1.00 54.01 C ATOM 922 CD1 TYR A 58 4.245 31.808 13.041 1.00 72.30 C ATOM 923 CD2 TYR A 58 5.566 31.575 11.070 1.00 23.42 C ATOM 924 CE1 TYR A 58 5.330 32.337 13.711 1.00 13.23 C ATOM 925 CE2 TYR A 58 6.657 32.102 11.734 1.00 52.00 C ATOM 926 CZ TYR A 58 6.534 32.483 13.054 1.00 20.40 C ATOM 927 OH TYR A 58 7.617 33.008 13.720 1.00 40.05 O ATOM 0 H TYR A 58 1.316 31.602 12.440 1.00 32.31 H new ATOM 0 HA TYR A 58 1.775 29.200 11.166 1.00 15.41 H new ATOM 0 HB2 TYR A 58 3.501 30.324 10.086 1.00 21.21 H new ATOM 0 HB3 TYR A 58 2.510 31.656 10.647 1.00 21.21 H new ATOM 0 HD1 TYR A 58 3.304 31.695 13.559 1.00 72.30 H new ATOM 0 HD2 TYR A 58 5.665 31.279 10.036 1.00 23.42 H new ATOM 0 HE1 TYR A 58 5.236 32.635 14.745 1.00 13.23 H new ATOM 0 HE2 TYR A 58 7.601 32.215 11.222 1.00 52.00 H new ATOM 0 HH TYR A 58 7.554 32.787 14.673 1.00 40.05 H new ATOM 937 N ASP A 59 3.974 28.111 12.079 1.00 61.10 N ATOM 938 CA ASP A 59 4.897 27.243 12.801 1.00 1.00 C ATOM 939 C ASP A 59 6.215 27.961 13.076 1.00 5.22 C ATOM 940 O ASP A 59 6.549 28.942 12.413 1.00 13.53 O ATOM 941 CB ASP A 59 5.156 25.963 12.006 1.00 64.42 C ATOM 942 CG ASP A 59 4.469 24.755 12.612 1.00 2.12 C ATOM 943 OD1 ASP A 59 3.383 24.926 13.205 1.00 41.40 O ATOM 944 OD2 ASP A 59 5.018 23.639 12.495 1.00 71.32 O ATOM 0 H ASP A 59 3.941 27.947 11.073 1.00 61.10 H new ATOM 0 HA ASP A 59 4.440 26.982 13.755 1.00 1.00 H new ATOM 0 HB2 ASP A 59 4.809 26.099 10.982 1.00 64.42 H new ATOM 0 HB3 ASP A 59 6.229 25.780 11.957 1.00 64.42 H new ATOM 949 N SER A 60 6.958 27.466 14.060 1.00 25.23 N ATOM 950 CA SER A 60 8.237 28.063 14.427 1.00 25.22 C ATOM 951 C SER A 60 9.390 27.358 13.718 1.00 53.02 C ATOM 952 O SER A 60 10.448 27.945 13.495 1.00 51.34 O ATOM 953 CB SER A 60 8.439 27.996 15.943 1.00 61.03 C ATOM 954 OG SER A 60 8.284 26.671 16.420 1.00 3.13 O ATOM 0 H SER A 60 6.697 26.653 14.618 1.00 25.23 H new ATOM 0 HA SER A 60 8.225 29.107 14.114 1.00 25.22 H new ATOM 0 HB2 SER A 60 9.433 28.363 16.197 1.00 61.03 H new ATOM 0 HB3 SER A 60 7.721 28.650 16.438 1.00 61.03 H new ATOM 0 HG SER A 60 8.420 26.655 17.390 1.00 3.13 H new ATOM 960 N SER A 61 9.175 26.095 13.365 1.00 5.24 N ATOM 961 CA SER A 61 10.196 25.308 12.684 1.00 64.43 C ATOM 962 C SER A 61 10.522 25.905 11.319 1.00 22.42 C ATOM 963 O SER A 61 11.545 25.580 10.714 1.00 73.34 O ATOM 964 CB SER A 61 9.729 23.860 12.522 1.00 62.14 C ATOM 965 OG SER A 61 10.294 23.026 13.519 1.00 30.24 O ATOM 0 H SER A 61 8.303 25.595 13.539 1.00 5.24 H new ATOM 0 HA SER A 61 11.100 25.325 13.293 1.00 64.43 H new ATOM 0 HB2 SER A 61 8.641 23.817 12.581 1.00 62.14 H new ATOM 0 HB3 SER A 61 10.009 23.493 11.535 1.00 62.14 H new ATOM 0 HG SER A 61 9.978 22.107 13.394 1.00 30.24 H new ATOM 971 N LEU A 62 9.646 26.781 10.839 1.00 13.13 N ATOM 972 CA LEU A 62 9.839 27.426 9.545 1.00 63.33 C ATOM 973 C LEU A 62 10.305 28.868 9.719 1.00 63.41 C ATOM 974 O LEU A 62 10.902 29.450 8.815 1.00 13.12 O ATOM 975 CB LEU A 62 8.541 27.391 8.738 1.00 50.21 C ATOM 976 CG LEU A 62 7.475 28.414 9.136 1.00 65.32 C ATOM 977 CD1 LEU A 62 7.232 29.400 8.004 1.00 72.13 C ATOM 978 CD2 LEU A 62 6.182 27.711 9.521 1.00 13.35 C ATOM 0 H LEU A 62 8.795 27.061 11.327 1.00 13.13 H new ATOM 0 HA LEU A 62 10.611 26.878 9.005 1.00 63.33 H new ATOM 0 HB2 LEU A 62 8.786 27.542 7.687 1.00 50.21 H new ATOM 0 HB3 LEU A 62 8.109 26.394 8.825 1.00 50.21 H new ATOM 0 HG LEU A 62 7.836 28.970 10.002 1.00 65.32 H new ATOM 0 HD11 LEU A 62 6.471 30.120 8.305 1.00 72.13 H new ATOM 0 HD12 LEU A 62 8.159 29.926 7.775 1.00 72.13 H new ATOM 0 HD13 LEU A 62 6.892 28.862 7.119 1.00 72.13 H new ATOM 0 HD21 LEU A 62 5.434 28.453 9.801 1.00 13.35 H new ATOM 0 HD22 LEU A 62 5.817 27.130 8.674 1.00 13.35 H new ATOM 0 HD23 LEU A 62 6.367 27.045 10.364 1.00 13.35 H new ATOM 990 N ALA A 63 10.031 29.435 10.889 1.00 55.42 N ATOM 991 CA ALA A 63 10.426 30.807 11.183 1.00 34.23 C ATOM 992 C ALA A 63 11.938 30.920 11.346 1.00 40.13 C ATOM 993 O ALA A 63 12.566 30.093 12.007 1.00 62.22 O ATOM 994 CB ALA A 63 9.720 31.302 12.437 1.00 54.33 C ATOM 0 H ALA A 63 9.537 28.966 11.648 1.00 55.42 H new ATOM 0 HA ALA A 63 10.130 31.433 10.341 1.00 34.23 H new ATOM 0 HB1 ALA A 63 10.024 32.328 12.645 1.00 54.33 H new ATOM 0 HB2 ALA A 63 8.641 31.267 12.285 1.00 54.33 H new ATOM 0 HB3 ALA A 63 9.988 30.666 13.281 1.00 54.33 H new ATOM 1000 N THR A 64 12.518 31.950 10.738 1.00 40.23 N ATOM 1001 CA THR A 64 13.958 32.170 10.814 1.00 15.54 C ATOM 1002 C THR A 64 14.716 31.137 9.990 1.00 71.12 C ATOM 1003 O THR A 64 15.947 31.107 9.993 1.00 43.55 O ATOM 1004 CB THR A 64 14.457 32.118 12.270 1.00 2.21 C ATOM 1005 OG1 THR A 64 13.380 32.404 13.169 1.00 63.22 O ATOM 1006 CG2 THR A 64 15.586 33.114 12.490 1.00 1.33 C ATOM 0 H THR A 64 12.013 32.645 10.188 1.00 40.23 H new ATOM 0 HA THR A 64 14.149 33.163 10.408 1.00 15.54 H new ATOM 0 HB THR A 64 14.835 31.114 12.465 1.00 2.21 H new ATOM 0 HG1 THR A 64 13.706 32.367 14.092 1.00 63.22 H new ATOM 0 HG21 THR A 64 15.923 33.060 13.525 1.00 1.33 H new ATOM 0 HG22 THR A 64 16.416 32.875 11.825 1.00 1.33 H new ATOM 0 HG23 THR A 64 15.229 34.122 12.277 1.00 1.33 H new ATOM 1045 N HIS A 67 11.623 26.004 6.391 1.00 0.00 N ATOM 1046 CA HIS A 67 11.778 24.554 6.404 1.00 62.33 C ATOM 1047 C HIS A 67 10.514 23.868 5.896 1.00 34.40 C ATOM 1048 O HIS A 67 9.427 24.448 5.918 1.00 52.43 O ATOM 1049 CB HIS A 67 12.104 24.067 7.817 1.00 73.34 C ATOM 1050 CG HIS A 67 13.522 24.322 8.225 1.00 12.35 C ATOM 1051 ND1 HIS A 67 14.052 23.881 9.419 1.00 12.44 N ATOM 1052 CD2 HIS A 67 14.523 24.977 7.590 1.00 34.15 C ATOM 1053 CE1 HIS A 67 15.316 24.255 9.502 1.00 10.24 C ATOM 1054 NE2 HIS A 67 15.626 24.921 8.405 1.00 44.31 N ATOM 0 HA HIS A 67 12.603 24.296 5.740 1.00 62.33 H new ATOM 0 HB2 HIS A 67 11.437 24.558 8.525 1.00 73.34 H new ATOM 0 HB3 HIS A 67 11.903 22.997 7.879 1.00 73.34 H new ATOM 0 HD2 HIS A 67 14.464 25.454 6.623 1.00 34.15 H new ATOM 0 HE1 HIS A 67 15.983 24.051 10.327 1.00 10.24 H new ATOM 0 HE2 HIS A 67 16.538 25.328 8.197 1.00 44.31 H new ATOM 1062 N THR A 68 10.661 22.628 5.438 1.00 14.51 N ATOM 1063 CA THR A 68 9.532 21.864 4.923 1.00 40.24 C ATOM 1064 C THR A 68 9.208 20.684 5.830 1.00 23.41 C ATOM 1065 O THR A 68 10.051 19.818 6.063 1.00 53.24 O ATOM 1066 CB THR A 68 9.809 21.343 3.500 1.00 15.11 C ATOM 1067 OG1 THR A 68 9.902 22.442 2.586 1.00 22.33 O ATOM 1068 CG2 THR A 68 8.709 20.394 3.048 1.00 23.01 C ATOM 0 H THR A 68 11.552 22.132 5.414 1.00 14.51 H new ATOM 0 HA THR A 68 8.678 22.541 4.894 1.00 40.24 H new ATOM 0 HB THR A 68 10.754 20.800 3.513 1.00 15.11 H new ATOM 0 HG1 THR A 68 10.048 22.101 1.679 1.00 22.33 H new ATOM 0 HG21 THR A 68 8.926 20.039 2.041 1.00 23.01 H new ATOM 0 HG22 THR A 68 8.659 19.545 3.729 1.00 23.01 H new ATOM 0 HG23 THR A 68 7.753 20.918 3.050 1.00 23.01 H new ATOM 1076 N GLU A 69 7.980 20.653 6.340 1.00 72.34 N ATOM 1077 CA GLU A 69 7.546 19.577 7.222 1.00 53.02 C ATOM 1078 C GLU A 69 6.999 18.400 6.417 1.00 13.52 C ATOM 1079 O GLU A 69 5.920 18.485 5.831 1.00 73.34 O ATOM 1080 CB GLU A 69 6.479 20.083 8.195 1.00 71.12 C ATOM 1081 CG GLU A 69 5.308 20.769 7.510 1.00 3.30 C ATOM 1082 CD GLU A 69 5.230 22.249 7.830 1.00 24.05 C ATOM 1083 OE1 GLU A 69 6.297 22.884 7.964 1.00 54.12 O ATOM 1084 OE2 GLU A 69 4.102 22.772 7.947 1.00 33.52 O ATOM 0 H GLU A 69 7.269 21.361 6.157 1.00 72.34 H new ATOM 0 HA GLU A 69 8.412 19.236 7.789 1.00 53.02 H new ATOM 0 HB2 GLU A 69 6.105 19.243 8.781 1.00 71.12 H new ATOM 0 HB3 GLU A 69 6.939 20.780 8.895 1.00 71.12 H new ATOM 0 HG2 GLU A 69 5.396 20.639 6.431 1.00 3.30 H new ATOM 0 HG3 GLU A 69 4.380 20.286 7.815 1.00 3.30 H new ATOM 1091 N ILE A 70 7.752 17.306 6.395 1.00 12.01 N ATOM 1092 CA ILE A 70 7.344 16.114 5.664 1.00 74.45 C ATOM 1093 C ILE A 70 6.172 15.421 6.351 1.00 35.12 C ATOM 1094 O ILE A 70 6.361 14.593 7.241 1.00 33.10 O ATOM 1095 CB ILE A 70 8.505 15.112 5.524 1.00 42.52 C ATOM 1096 CG1 ILE A 70 9.574 15.667 4.579 1.00 64.22 C ATOM 1097 CG2 ILE A 70 7.992 13.772 5.023 1.00 62.53 C ATOM 1098 CD1 ILE A 70 10.635 16.486 5.280 1.00 45.02 C ATOM 0 H ILE A 70 8.648 17.221 6.875 1.00 12.01 H new ATOM 0 HA ILE A 70 7.038 16.444 4.671 1.00 74.45 H new ATOM 0 HB ILE A 70 8.956 14.961 6.505 1.00 42.52 H new ATOM 0 HG12 ILE A 70 10.052 14.838 4.058 1.00 64.22 H new ATOM 0 HG13 ILE A 70 9.092 16.284 3.821 1.00 64.22 H new ATOM 0 HG21 ILE A 70 8.825 13.075 4.930 1.00 62.53 H new ATOM 0 HG22 ILE A 70 7.264 13.374 5.730 1.00 62.53 H new ATOM 0 HG23 ILE A 70 7.519 13.904 4.050 1.00 62.53 H new ATOM 0 HD11 ILE A 70 11.358 16.847 4.549 1.00 45.02 H new ATOM 0 HD12 ILE A 70 10.168 17.336 5.778 1.00 45.02 H new ATOM 0 HD13 ILE A 70 11.144 15.867 6.019 1.00 45.02 H new ATOM 1110 N LYS A 71 4.958 15.766 5.930 1.00 64.24 N ATOM 1111 CA LYS A 71 3.754 15.177 6.503 1.00 60.35 C ATOM 1112 C LYS A 71 3.307 13.961 5.696 1.00 52.53 C ATOM 1113 O LYS A 71 3.327 13.980 4.465 1.00 42.44 O ATOM 1114 CB LYS A 71 2.628 16.212 6.551 1.00 53.43 C ATOM 1115 CG LYS A 71 1.819 16.292 5.268 1.00 43.12 C ATOM 1116 CD LYS A 71 2.660 16.807 4.110 1.00 22.24 C ATOM 1117 CE LYS A 71 3.154 18.222 4.367 1.00 10.22 C ATOM 1118 NZ LYS A 71 2.043 19.213 4.330 1.00 3.23 N ATOM 0 H LYS A 71 4.783 16.450 5.194 1.00 64.24 H new ATOM 0 HA LYS A 71 3.985 14.854 7.518 1.00 60.35 H new ATOM 0 HB2 LYS A 71 1.960 15.971 7.377 1.00 53.43 H new ATOM 0 HB3 LYS A 71 3.056 17.192 6.762 1.00 53.43 H new ATOM 0 HG2 LYS A 71 1.425 15.306 5.023 1.00 43.12 H new ATOM 0 HG3 LYS A 71 0.962 16.949 5.417 1.00 43.12 H new ATOM 0 HD2 LYS A 71 3.512 16.145 3.955 1.00 22.24 H new ATOM 0 HD3 LYS A 71 2.070 16.787 3.193 1.00 22.24 H new ATOM 0 HE2 LYS A 71 3.646 18.264 5.339 1.00 10.22 H new ATOM 0 HE3 LYS A 71 3.902 18.487 3.620 1.00 10.22 H new ATOM 0 HZ1 LYS A 71 2.434 20.175 4.391 1.00 3.23 H new ATOM 0 HZ2 LYS A 71 1.515 19.110 3.440 1.00 3.23 H new ATOM 0 HZ3 LYS A 71 1.403 19.048 5.133 1.00 3.23 H new ATOM 1132 N ALA A 72 2.903 12.908 6.397 1.00 71.33 N ATOM 1133 CA ALA A 72 2.447 11.686 5.745 1.00 20.33 C ATOM 1134 C ALA A 72 1.407 11.991 4.673 1.00 33.32 C ATOM 1135 O ALA A 72 0.538 12.847 4.842 1.00 63.50 O ATOM 1136 CB ALA A 72 1.880 10.719 6.774 1.00 11.43 C ATOM 0 H ALA A 72 2.882 12.876 7.416 1.00 71.33 H new ATOM 0 HA ALA A 72 3.305 11.221 5.259 1.00 20.33 H new ATOM 0 HB1 ALA A 72 1.543 9.811 6.273 1.00 11.43 H new ATOM 0 HB2 ALA A 72 2.652 10.467 7.501 1.00 11.43 H new ATOM 0 HB3 ALA A 72 1.038 11.185 7.286 1.00 11.43 H new ATOM 1142 N PRO A 73 1.495 11.276 3.541 1.00 1.23 N ATOM 1143 CA PRO A 73 0.568 11.453 2.419 1.00 42.31 C ATOM 1144 C PRO A 73 -0.835 10.952 2.742 1.00 53.42 C ATOM 1145 O PRO A 73 -1.828 11.578 2.370 1.00 75.30 O ATOM 1146 CB PRO A 73 1.195 10.609 1.306 1.00 3.12 C ATOM 1147 CG PRO A 73 1.999 9.577 2.019 1.00 1.24 C ATOM 1148 CD PRO A 73 2.506 10.239 3.271 1.00 55.10 C ATOM 0 HA PRO A 73 0.441 12.503 2.156 1.00 42.31 H new ATOM 0 HB2 PRO A 73 0.431 10.151 0.678 1.00 3.12 H new ATOM 0 HB3 PRO A 73 1.821 11.217 0.653 1.00 3.12 H new ATOM 0 HG2 PRO A 73 1.391 8.705 2.258 1.00 1.24 H new ATOM 0 HG3 PRO A 73 2.826 9.229 1.399 1.00 1.24 H new ATOM 0 HD2 PRO A 73 2.586 9.531 4.096 1.00 55.10 H new ATOM 0 HD3 PRO A 73 3.496 10.671 3.125 1.00 55.10 H new ATOM 1156 N PHE A 74 -0.910 9.821 3.434 1.00 21.24 N ATOM 1157 CA PHE A 74 -2.193 9.237 3.806 1.00 23.25 C ATOM 1158 C PHE A 74 -2.035 8.286 4.990 1.00 61.41 C ATOM 1159 O PHE A 74 -0.975 7.689 5.183 1.00 33.11 O ATOM 1160 CB PHE A 74 -2.802 8.492 2.617 1.00 2.34 C ATOM 1161 CG PHE A 74 -1.782 8.014 1.624 1.00 75.52 C ATOM 1162 CD1 PHE A 74 -0.820 7.087 1.990 1.00 34.45 C ATOM 1163 CD2 PHE A 74 -1.787 8.490 0.322 1.00 3.22 C ATOM 1164 CE1 PHE A 74 0.119 6.644 1.079 1.00 63.23 C ATOM 1165 CE2 PHE A 74 -0.850 8.051 -0.594 1.00 64.44 C ATOM 1166 CZ PHE A 74 0.104 7.128 -0.215 1.00 63.04 C ATOM 0 H PHE A 74 -0.098 9.290 3.749 1.00 21.24 H new ATOM 0 HA PHE A 74 -2.861 10.047 4.099 1.00 23.25 H new ATOM 0 HB2 PHE A 74 -3.368 7.636 2.986 1.00 2.34 H new ATOM 0 HB3 PHE A 74 -3.510 9.148 2.111 1.00 2.34 H new ATOM 0 HD1 PHE A 74 -0.804 6.706 3.000 1.00 34.45 H new ATOM 0 HD2 PHE A 74 -2.531 9.212 0.020 1.00 3.22 H new ATOM 0 HE1 PHE A 74 0.863 5.921 1.378 1.00 63.23 H new ATOM 0 HE2 PHE A 74 -0.864 8.430 -1.605 1.00 64.44 H new ATOM 0 HZ PHE A 74 0.838 6.785 -0.929 1.00 63.04 H new ATOM 1176 N ASP A 75 -3.095 8.149 5.778 1.00 74.01 N ATOM 1177 CA ASP A 75 -3.076 7.271 6.941 1.00 23.41 C ATOM 1178 C ASP A 75 -2.593 5.874 6.559 1.00 1.35 C ATOM 1179 O ASP A 75 -2.870 5.389 5.463 1.00 4.04 O ATOM 1180 CB ASP A 75 -4.468 7.189 7.569 1.00 30.52 C ATOM 1181 CG ASP A 75 -4.619 5.993 8.488 1.00 32.43 C ATOM 1182 OD1 ASP A 75 -4.117 6.056 9.629 1.00 25.13 O ATOM 1183 OD2 ASP A 75 -5.240 4.994 8.067 1.00 43.24 O ATOM 0 H ASP A 75 -3.979 8.636 5.632 1.00 74.01 H new ATOM 0 HA ASP A 75 -2.382 7.690 7.670 1.00 23.41 H new ATOM 0 HB2 ASP A 75 -4.664 8.102 8.131 1.00 30.52 H new ATOM 0 HB3 ASP A 75 -5.217 7.133 6.779 1.00 30.52 H new ATOM 1188 N GLY A 76 -1.870 5.234 7.473 1.00 63.33 N ATOM 1189 CA GLY A 76 -1.359 3.900 7.213 1.00 22.42 C ATOM 1190 C GLY A 76 -0.315 3.472 8.224 1.00 41.33 C ATOM 1191 O GLY A 76 -0.055 4.179 9.198 1.00 63.31 O ATOM 0 H GLY A 76 -1.629 5.615 8.388 1.00 63.33 H new ATOM 0 HA2 GLY A 76 -2.185 3.189 7.225 1.00 22.42 H new ATOM 0 HA3 GLY A 76 -0.926 3.869 6.213 1.00 22.42 H new ATOM 1195 N THR A 77 0.287 2.308 7.995 1.00 53.42 N ATOM 1196 CA THR A 77 1.308 1.786 8.894 1.00 33.44 C ATOM 1197 C THR A 77 2.707 2.042 8.347 1.00 54.20 C ATOM 1198 O THR A 77 2.934 1.968 7.139 1.00 70.12 O ATOM 1199 CB THR A 77 1.129 0.274 9.128 1.00 64.10 C ATOM 1200 OG1 THR A 77 -0.094 0.027 9.831 1.00 75.32 O ATOM 1201 CG2 THR A 77 2.297 -0.293 9.919 1.00 64.21 C ATOM 0 H THR A 77 0.084 1.710 7.194 1.00 53.42 H new ATOM 0 HA THR A 77 1.192 2.310 9.843 1.00 33.44 H new ATOM 0 HB THR A 77 1.095 -0.219 8.157 1.00 64.10 H new ATOM 0 HG1 THR A 77 -0.200 -0.937 9.974 1.00 75.32 H new ATOM 0 HG21 THR A 77 2.148 -1.362 10.072 1.00 64.21 H new ATOM 0 HG22 THR A 77 3.223 -0.131 9.367 1.00 64.21 H new ATOM 0 HG23 THR A 77 2.358 0.207 10.886 1.00 64.21 H new ATOM 1209 N ILE A 78 3.641 2.342 9.243 1.00 10.42 N ATOM 1210 CA ILE A 78 5.020 2.608 8.848 1.00 32.43 C ATOM 1211 C ILE A 78 5.942 1.471 9.276 1.00 54.52 C ATOM 1212 O ILE A 78 5.753 0.868 10.331 1.00 70.01 O ATOM 1213 CB ILE A 78 5.535 3.928 9.454 1.00 74.41 C ATOM 1214 CG1 ILE A 78 6.699 4.473 8.626 1.00 4.21 C ATOM 1215 CG2 ILE A 78 5.957 3.717 10.900 1.00 2.21 C ATOM 1216 CD1 ILE A 78 6.261 5.301 7.439 1.00 54.44 C ATOM 0 H ILE A 78 3.469 2.407 10.246 1.00 10.42 H new ATOM 0 HA ILE A 78 5.027 2.690 7.761 1.00 32.43 H new ATOM 0 HB ILE A 78 4.728 4.660 9.436 1.00 74.41 H new ATOM 0 HG12 ILE A 78 7.337 5.081 9.267 1.00 4.21 H new ATOM 0 HG13 ILE A 78 7.305 3.639 8.273 1.00 4.21 H new ATOM 0 HG21 ILE A 78 6.318 4.658 11.315 1.00 2.21 H new ATOM 0 HG22 ILE A 78 5.103 3.369 11.481 1.00 2.21 H new ATOM 0 HG23 ILE A 78 6.752 2.973 10.942 1.00 2.21 H new ATOM 0 HD11 ILE A 78 7.139 5.654 6.898 1.00 54.44 H new ATOM 0 HD12 ILE A 78 5.648 4.691 6.776 1.00 54.44 H new ATOM 0 HD13 ILE A 78 5.680 6.156 7.786 1.00 54.44 H new ATOM 1228 N GLY A 79 6.943 1.186 8.448 1.00 13.01 N ATOM 1229 CA GLY A 79 7.881 0.123 8.758 1.00 3.42 C ATOM 1230 C GLY A 79 9.245 0.652 9.157 1.00 52.40 C ATOM 1231 O GLY A 79 10.255 0.311 8.541 1.00 64.42 O ATOM 0 H GLY A 79 7.121 1.672 7.569 1.00 13.01 H new ATOM 0 HA2 GLY A 79 7.480 -0.487 9.568 1.00 3.42 H new ATOM 0 HA3 GLY A 79 7.987 -0.529 7.891 1.00 3.42 H new ATOM 1235 N ASP A 80 9.274 1.490 10.186 1.00 22.04 N ATOM 1236 CA ASP A 80 10.524 2.069 10.667 1.00 52.20 C ATOM 1237 C ASP A 80 11.186 2.910 9.580 1.00 53.13 C ATOM 1238 O ASP A 80 10.851 2.796 8.402 1.00 74.33 O ATOM 1239 CB ASP A 80 11.479 0.966 11.126 1.00 20.34 C ATOM 1240 CG ASP A 80 12.726 1.517 11.787 1.00 70.21 C ATOM 1241 OD1 ASP A 80 12.640 2.599 12.406 1.00 45.15 O ATOM 1242 OD2 ASP A 80 13.789 0.868 11.685 1.00 34.00 O ATOM 0 H ASP A 80 8.446 1.784 10.704 1.00 22.04 H new ATOM 0 HA ASP A 80 10.294 2.716 11.514 1.00 52.20 H new ATOM 0 HB2 ASP A 80 10.961 0.309 11.825 1.00 20.34 H new ATOM 0 HB3 ASP A 80 11.765 0.357 10.268 1.00 20.34 H new ATOM 1247 N ALA A 81 12.127 3.757 9.985 1.00 52.12 N ATOM 1248 CA ALA A 81 12.836 4.617 9.045 1.00 10.33 C ATOM 1249 C ALA A 81 13.862 3.824 8.242 1.00 11.03 C ATOM 1250 O ALA A 81 13.830 2.593 8.218 1.00 54.04 O ATOM 1251 CB ALA A 81 13.512 5.762 9.786 1.00 62.03 C ATOM 0 H ALA A 81 12.416 3.866 10.957 1.00 52.12 H new ATOM 0 HA ALA A 81 12.108 5.030 8.347 1.00 10.33 H new ATOM 0 HB1 ALA A 81 14.038 6.397 9.073 1.00 62.03 H new ATOM 0 HB2 ALA A 81 12.759 6.351 10.310 1.00 62.03 H new ATOM 0 HB3 ALA A 81 14.224 5.359 10.507 1.00 62.03 H new ATOM 1257 N LEU A 82 14.771 4.537 7.586 1.00 73.14 N ATOM 1258 CA LEU A 82 15.806 3.900 6.780 1.00 42.10 C ATOM 1259 C LEU A 82 17.099 4.709 6.816 1.00 24.32 C ATOM 1260 O LEU A 82 18.189 4.151 6.945 1.00 24.22 O ATOM 1261 CB LEU A 82 15.331 3.741 5.335 1.00 53.15 C ATOM 1262 CG LEU A 82 13.980 3.052 5.145 1.00 71.21 C ATOM 1263 CD1 LEU A 82 13.465 3.267 3.730 1.00 63.34 C ATOM 1264 CD2 LEU A 82 14.091 1.566 5.454 1.00 4.51 C ATOM 0 H LEU A 82 14.812 5.556 7.597 1.00 73.14 H new ATOM 0 HA LEU A 82 16.003 2.914 7.201 1.00 42.10 H new ATOM 0 HB2 LEU A 82 15.279 4.730 4.880 1.00 53.15 H new ATOM 0 HB3 LEU A 82 16.085 3.177 4.786 1.00 53.15 H new ATOM 0 HG LEU A 82 13.267 3.495 5.840 1.00 71.21 H new ATOM 0 HD11 LEU A 82 12.502 2.769 3.614 1.00 63.34 H new ATOM 0 HD12 LEU A 82 13.346 4.334 3.544 1.00 63.34 H new ATOM 0 HD13 LEU A 82 14.177 2.852 3.017 1.00 63.34 H new ATOM 0 HD21 LEU A 82 13.120 1.092 5.313 1.00 4.51 H new ATOM 0 HD22 LEU A 82 14.819 1.108 4.784 1.00 4.51 H new ATOM 0 HD23 LEU A 82 14.414 1.432 6.486 1.00 4.51 H new ATOM 1276 N VAL A 83 16.971 6.027 6.704 1.00 33.24 N ATOM 1277 CA VAL A 83 18.127 6.913 6.727 1.00 52.23 C ATOM 1278 C VAL A 83 18.269 7.598 8.082 1.00 34.42 C ATOM 1279 O VAL A 83 17.514 7.316 9.012 1.00 23.34 O ATOM 1280 CB VAL A 83 18.033 7.989 5.628 1.00 63.31 C ATOM 1281 CG1 VAL A 83 17.700 7.354 4.286 1.00 4.24 C ATOM 1282 CG2 VAL A 83 16.999 9.040 6.001 1.00 44.43 C ATOM 0 H VAL A 83 16.076 6.505 6.596 1.00 33.24 H new ATOM 0 HA VAL A 83 19.004 6.292 6.543 1.00 52.23 H new ATOM 0 HB VAL A 83 19.002 8.480 5.540 1.00 63.31 H new ATOM 0 HG11 VAL A 83 17.638 8.129 3.522 1.00 4.24 H new ATOM 0 HG12 VAL A 83 18.480 6.641 4.017 1.00 4.24 H new ATOM 0 HG13 VAL A 83 16.744 6.836 4.356 1.00 4.24 H new ATOM 0 HG21 VAL A 83 16.945 9.793 5.214 1.00 44.43 H new ATOM 0 HG22 VAL A 83 16.024 8.566 6.117 1.00 44.43 H new ATOM 0 HG23 VAL A 83 17.286 9.516 6.939 1.00 44.43 H new ATOM 1292 N ASN A 84 19.240 8.498 8.186 1.00 53.20 N ATOM 1293 CA ASN A 84 19.480 9.225 9.427 1.00 24.30 C ATOM 1294 C ASN A 84 19.259 10.722 9.234 1.00 44.00 C ATOM 1295 O ASN A 84 19.020 11.185 8.119 1.00 43.12 O ATOM 1296 CB ASN A 84 20.903 8.967 9.925 1.00 24.10 C ATOM 1297 CG ASN A 84 21.779 8.321 8.868 1.00 33.04 C ATOM 1298 OD1 ASN A 84 22.518 9.003 8.158 1.00 64.12 O ATOM 1299 ND2 ASN A 84 21.697 7.000 8.759 1.00 33.05 N ATOM 0 H ASN A 84 19.874 8.742 7.425 1.00 53.20 H new ATOM 0 HA ASN A 84 18.770 8.866 10.172 1.00 24.30 H new ATOM 0 HB2 ASN A 84 21.352 9.910 10.238 1.00 24.10 H new ATOM 0 HB3 ASN A 84 20.866 8.324 10.804 1.00 24.10 H new ATOM 0 HD21 ASN A 84 22.261 6.510 8.065 1.00 33.05 H new ATOM 0 HD22 ASN A 84 21.070 6.476 9.369 1.00 33.05 H new ATOM 1306 N ILE A 85 19.341 11.472 10.328 1.00 43.52 N ATOM 1307 CA ILE A 85 19.154 12.917 10.279 1.00 74.31 C ATOM 1308 C ILE A 85 20.389 13.613 9.719 1.00 11.41 C ATOM 1309 O ILE A 85 21.494 13.075 9.769 1.00 61.11 O ATOM 1310 CB ILE A 85 18.840 13.491 11.673 1.00 51.24 C ATOM 1311 CG1 ILE A 85 17.928 14.714 11.551 1.00 42.41 C ATOM 1312 CG2 ILE A 85 20.128 13.854 12.397 1.00 30.30 C ATOM 1313 CD1 ILE A 85 18.151 15.744 12.636 1.00 14.32 C ATOM 0 H ILE A 85 19.536 11.103 11.259 1.00 43.52 H new ATOM 0 HA ILE A 85 18.306 13.104 9.620 1.00 74.31 H new ATOM 0 HB ILE A 85 18.320 12.730 12.255 1.00 51.24 H new ATOM 0 HG12 ILE A 85 18.088 15.181 10.579 1.00 42.41 H new ATOM 0 HG13 ILE A 85 16.889 14.387 11.580 1.00 42.41 H new ATOM 0 HG21 ILE A 85 19.891 14.258 13.381 1.00 30.30 H new ATOM 0 HG22 ILE A 85 20.745 12.963 12.510 1.00 30.30 H new ATOM 0 HG23 ILE A 85 20.672 14.601 11.819 1.00 30.30 H new ATOM 0 HD11 ILE A 85 17.471 16.583 12.487 1.00 14.32 H new ATOM 0 HD12 ILE A 85 17.963 15.293 13.610 1.00 14.32 H new ATOM 0 HD13 ILE A 85 19.180 16.100 12.594 1.00 14.32 H new ATOM 1325 N GLY A 86 20.193 14.817 9.188 1.00 2.02 N ATOM 1326 CA GLY A 86 21.301 15.569 8.628 1.00 4.20 C ATOM 1327 C GLY A 86 21.794 14.987 7.319 1.00 53.55 C ATOM 1328 O GLY A 86 22.858 15.363 6.826 1.00 42.34 O ATOM 0 H GLY A 86 19.288 15.284 9.136 1.00 2.02 H new ATOM 0 HA2 GLY A 86 20.991 16.602 8.469 1.00 4.20 H new ATOM 0 HA3 GLY A 86 22.122 15.589 9.345 1.00 4.20 H new ATOM 1332 N ASP A 87 21.020 14.067 6.753 1.00 61.14 N ATOM 1333 CA ASP A 87 21.385 13.431 5.492 1.00 11.44 C ATOM 1334 C ASP A 87 20.783 14.184 4.310 1.00 15.42 C ATOM 1335 O ASP A 87 19.600 14.528 4.316 1.00 63.41 O ATOM 1336 CB ASP A 87 20.916 11.975 5.477 1.00 0.11 C ATOM 1337 CG ASP A 87 22.071 10.997 5.378 1.00 0.24 C ATOM 1338 OD1 ASP A 87 23.110 11.237 6.028 1.00 52.12 O ATOM 1339 OD2 ASP A 87 21.934 9.991 4.651 1.00 62.01 O ATOM 0 H ASP A 87 20.136 13.745 7.147 1.00 61.14 H new ATOM 0 HA ASP A 87 22.471 13.456 5.401 1.00 11.44 H new ATOM 0 HB2 ASP A 87 20.347 11.770 6.384 1.00 0.11 H new ATOM 0 HB3 ASP A 87 20.241 11.822 4.635 1.00 0.11 H new ATOM 1344 N TYR A 88 21.605 14.440 3.299 1.00 75.03 N ATOM 1345 CA TYR A 88 21.155 15.157 2.111 1.00 60.34 C ATOM 1346 C TYR A 88 20.091 14.358 1.363 1.00 43.03 C ATOM 1347 O TYR A 88 20.302 13.196 1.012 1.00 2.51 O ATOM 1348 CB TYR A 88 22.337 15.443 1.184 1.00 45.51 C ATOM 1349 CG TYR A 88 21.946 16.140 -0.100 1.00 61.10 C ATOM 1350 CD1 TYR A 88 21.911 17.527 -0.178 1.00 30.52 C ATOM 1351 CD2 TYR A 88 21.610 15.412 -1.234 1.00 71.15 C ATOM 1352 CE1 TYR A 88 21.553 18.168 -1.348 1.00 71.12 C ATOM 1353 CE2 TYR A 88 21.253 16.044 -2.409 1.00 42.34 C ATOM 1354 CZ TYR A 88 21.225 17.422 -2.461 1.00 42.21 C ATOM 1355 OH TYR A 88 20.868 18.056 -3.629 1.00 40.12 O ATOM 0 H TYR A 88 22.586 14.162 3.278 1.00 75.03 H new ATOM 0 HA TYR A 88 20.716 16.102 2.433 1.00 60.34 H new ATOM 0 HB2 TYR A 88 23.063 16.058 1.715 1.00 45.51 H new ATOM 0 HB3 TYR A 88 22.833 14.503 0.941 1.00 45.51 H new ATOM 0 HD1 TYR A 88 22.168 18.114 0.691 1.00 30.52 H new ATOM 0 HD2 TYR A 88 21.628 14.333 -1.196 1.00 71.15 H new ATOM 0 HE1 TYR A 88 21.530 19.247 -1.391 1.00 71.12 H new ATOM 0 HE2 TYR A 88 20.997 15.462 -3.282 1.00 42.34 H new ATOM 0 HH TYR A 88 20.668 17.387 -4.317 1.00 40.12 H new ATOM 1365 N VAL A 89 18.947 14.990 1.121 1.00 62.13 N ATOM 1366 CA VAL A 89 17.850 14.341 0.414 1.00 52.02 C ATOM 1367 C VAL A 89 17.679 14.920 -0.986 1.00 1.51 C ATOM 1368 O VAL A 89 18.121 16.035 -1.265 1.00 70.41 O ATOM 1369 CB VAL A 89 16.523 14.485 1.183 1.00 45.11 C ATOM 1370 CG1 VAL A 89 16.456 13.482 2.325 1.00 4.23 C ATOM 1371 CG2 VAL A 89 16.359 15.906 1.699 1.00 14.44 C ATOM 0 H VAL A 89 18.756 15.951 1.404 1.00 62.13 H new ATOM 0 HA VAL A 89 18.104 13.284 0.338 1.00 52.02 H new ATOM 0 HB VAL A 89 15.701 14.274 0.499 1.00 45.11 H new ATOM 0 HG11 VAL A 89 15.512 13.599 2.857 1.00 4.23 H new ATOM 0 HG12 VAL A 89 16.525 12.470 1.925 1.00 4.23 H new ATOM 0 HG13 VAL A 89 17.284 13.657 3.012 1.00 4.23 H new ATOM 0 HG21 VAL A 89 15.416 15.990 2.240 1.00 14.44 H new ATOM 0 HG22 VAL A 89 17.184 16.147 2.369 1.00 14.44 H new ATOM 0 HG23 VAL A 89 16.359 16.600 0.859 1.00 14.44 H new ATOM 1381 N SER A 90 17.035 14.157 -1.862 1.00 33.12 N ATOM 1382 CA SER A 90 16.807 14.593 -3.235 1.00 3.41 C ATOM 1383 C SER A 90 15.365 14.333 -3.656 1.00 62.51 C ATOM 1384 O SER A 90 15.041 13.264 -4.177 1.00 4.44 O ATOM 1385 CB SER A 90 17.766 13.874 -4.186 1.00 43.12 C ATOM 1386 OG SER A 90 18.732 14.770 -4.709 1.00 74.12 O ATOM 0 H SER A 90 16.661 13.233 -1.646 1.00 33.12 H new ATOM 0 HA SER A 90 16.993 15.666 -3.285 1.00 3.41 H new ATOM 0 HB2 SER A 90 18.266 13.062 -3.658 1.00 43.12 H new ATOM 0 HB3 SER A 90 17.203 13.423 -5.003 1.00 43.12 H new ATOM 0 HG SER A 90 19.334 14.286 -5.312 1.00 74.12 H new ATOM 1392 N ALA A 91 14.501 15.316 -3.427 1.00 71.51 N ATOM 1393 CA ALA A 91 13.093 15.195 -3.784 1.00 71.10 C ATOM 1394 C ALA A 91 12.524 13.855 -3.328 1.00 14.51 C ATOM 1395 O ALA A 91 13.026 13.247 -2.384 1.00 31.14 O ATOM 1396 CB ALA A 91 12.912 15.364 -5.286 1.00 62.04 C ATOM 0 H ALA A 91 14.752 16.206 -2.996 1.00 71.51 H new ATOM 0 HA ALA A 91 12.545 15.986 -3.272 1.00 71.10 H new ATOM 0 HB1 ALA A 91 11.856 15.271 -5.538 1.00 62.04 H new ATOM 0 HB2 ALA A 91 13.272 16.348 -5.587 1.00 62.04 H new ATOM 0 HB3 ALA A 91 13.479 14.594 -5.810 1.00 62.04 H new ATOM 1402 N SER A 92 11.474 13.403 -4.006 1.00 23.13 N ATOM 1403 CA SER A 92 10.834 12.137 -3.667 1.00 63.23 C ATOM 1404 C SER A 92 11.756 10.962 -3.978 1.00 32.05 C ATOM 1405 O SER A 92 11.461 9.817 -3.632 1.00 52.34 O ATOM 1406 CB SER A 92 9.519 11.985 -4.433 1.00 71.24 C ATOM 1407 OG SER A 92 8.934 10.716 -4.196 1.00 33.14 O ATOM 0 H SER A 92 11.049 13.894 -4.792 1.00 23.13 H new ATOM 0 HA SER A 92 10.625 12.139 -2.597 1.00 63.23 H new ATOM 0 HB2 SER A 92 8.826 12.770 -4.131 1.00 71.24 H new ATOM 0 HB3 SER A 92 9.700 12.112 -5.500 1.00 71.24 H new ATOM 0 HG SER A 92 8.094 10.645 -4.696 1.00 33.14 H new ATOM 1413 N THR A 93 12.875 11.253 -4.633 1.00 1.00 N ATOM 1414 CA THR A 93 13.840 10.222 -4.992 1.00 60.03 C ATOM 1415 C THR A 93 14.491 9.621 -3.752 1.00 42.01 C ATOM 1416 O THR A 93 14.867 8.448 -3.741 1.00 2.05 O ATOM 1417 CB THR A 93 14.940 10.779 -5.916 1.00 53.30 C ATOM 1418 OG1 THR A 93 14.350 11.536 -6.978 1.00 54.24 O ATOM 1419 CG2 THR A 93 15.783 9.653 -6.496 1.00 10.31 C ATOM 0 H THR A 93 13.135 12.195 -4.926 1.00 1.00 H new ATOM 0 HA THR A 93 13.289 9.445 -5.522 1.00 60.03 H new ATOM 0 HB THR A 93 15.587 11.427 -5.324 1.00 53.30 H new ATOM 0 HG1 THR A 93 15.056 11.888 -7.560 1.00 54.24 H new ATOM 0 HG21 THR A 93 16.552 10.072 -7.145 1.00 10.31 H new ATOM 0 HG22 THR A 93 16.255 9.097 -5.686 1.00 10.31 H new ATOM 0 HG23 THR A 93 15.147 8.983 -7.074 1.00 10.31 H new ATOM 1427 N THR A 94 14.622 10.431 -2.706 1.00 0.44 N ATOM 1428 CA THR A 94 15.227 9.980 -1.460 1.00 10.30 C ATOM 1429 C THR A 94 14.204 9.281 -0.573 1.00 31.12 C ATOM 1430 O THR A 94 13.331 9.924 0.010 1.00 42.35 O ATOM 1431 CB THR A 94 15.849 11.154 -0.680 1.00 30.43 C ATOM 1432 OG1 THR A 94 17.087 11.542 -1.284 1.00 44.41 O ATOM 1433 CG2 THR A 94 16.085 10.773 0.774 1.00 31.03 C ATOM 0 H THR A 94 14.316 11.404 -2.698 1.00 0.44 H new ATOM 0 HA THR A 94 16.013 9.274 -1.728 1.00 10.30 H new ATOM 0 HB THR A 94 15.152 11.992 -0.711 1.00 30.43 H new ATOM 0 HG1 THR A 94 17.004 11.494 -2.259 1.00 44.41 H new ATOM 0 HG21 THR A 94 16.525 11.618 1.305 1.00 31.03 H new ATOM 0 HG22 THR A 94 15.136 10.507 1.239 1.00 31.03 H new ATOM 0 HG23 THR A 94 16.764 9.922 0.821 1.00 31.03 H new ATOM 1441 N GLU A 95 14.317 7.960 -0.474 1.00 21.20 N ATOM 1442 CA GLU A 95 13.400 7.174 0.343 1.00 73.41 C ATOM 1443 C GLU A 95 13.974 6.944 1.737 1.00 22.14 C ATOM 1444 O GLU A 95 14.907 6.160 1.916 1.00 53.22 O ATOM 1445 CB GLU A 95 13.108 5.831 -0.328 1.00 32.33 C ATOM 1446 CG GLU A 95 14.347 5.137 -0.867 1.00 20.31 C ATOM 1447 CD GLU A 95 14.152 3.642 -1.038 1.00 55.34 C ATOM 1448 OE1 GLU A 95 13.299 3.246 -1.860 1.00 65.53 O ATOM 1449 OE2 GLU A 95 14.852 2.870 -0.350 1.00 34.22 O ATOM 0 H GLU A 95 15.034 7.412 -0.949 1.00 21.20 H new ATOM 0 HA GLU A 95 12.470 7.734 0.440 1.00 73.41 H new ATOM 0 HB2 GLU A 95 12.618 5.174 0.391 1.00 32.33 H new ATOM 0 HB3 GLU A 95 12.405 5.989 -1.146 1.00 32.33 H new ATOM 0 HG2 GLU A 95 14.616 5.577 -1.827 1.00 20.31 H new ATOM 0 HG3 GLU A 95 15.182 5.315 -0.190 1.00 20.31 H new ATOM 1456 N LEU A 96 13.411 7.634 2.724 1.00 72.54 N ATOM 1457 CA LEU A 96 13.867 7.506 4.104 1.00 15.42 C ATOM 1458 C LEU A 96 12.913 6.634 4.913 1.00 21.53 C ATOM 1459 O LEU A 96 13.269 6.126 5.976 1.00 2.30 O ATOM 1460 CB LEU A 96 13.987 8.886 4.751 1.00 42.40 C ATOM 1461 CG LEU A 96 12.921 9.909 4.356 1.00 31.24 C ATOM 1462 CD1 LEU A 96 13.176 10.431 2.951 1.00 12.14 C ATOM 1463 CD2 LEU A 96 11.532 9.295 4.456 1.00 54.21 C ATOM 0 H LEU A 96 12.639 8.287 2.594 1.00 72.54 H new ATOM 0 HA LEU A 96 14.847 7.029 4.095 1.00 15.42 H new ATOM 0 HB2 LEU A 96 13.958 8.761 5.833 1.00 42.40 H new ATOM 0 HB3 LEU A 96 14.966 9.297 4.503 1.00 42.40 H new ATOM 0 HG LEU A 96 12.976 10.749 5.048 1.00 31.24 H new ATOM 0 HD11 LEU A 96 12.407 11.158 2.688 1.00 12.14 H new ATOM 0 HD12 LEU A 96 14.155 10.908 2.912 1.00 12.14 H new ATOM 0 HD13 LEU A 96 13.149 9.602 2.244 1.00 12.14 H new ATOM 0 HD21 LEU A 96 10.785 10.036 4.172 1.00 54.21 H new ATOM 0 HD22 LEU A 96 11.465 8.437 3.787 1.00 54.21 H new ATOM 0 HD23 LEU A 96 11.350 8.972 5.481 1.00 54.21 H new ATOM 1475 N VAL A 97 11.698 6.463 4.403 1.00 73.42 N ATOM 1476 CA VAL A 97 10.693 5.649 5.076 1.00 33.33 C ATOM 1477 C VAL A 97 9.567 5.263 4.122 1.00 64.44 C ATOM 1478 O VAL A 97 9.225 6.018 3.212 1.00 11.12 O ATOM 1479 CB VAL A 97 10.092 6.387 6.288 1.00 41.14 C ATOM 1480 CG1 VAL A 97 9.133 7.474 5.829 1.00 41.52 C ATOM 1481 CG2 VAL A 97 9.393 5.405 7.216 1.00 44.32 C ATOM 0 H VAL A 97 11.385 6.878 3.525 1.00 73.42 H new ATOM 0 HA VAL A 97 11.198 4.747 5.422 1.00 33.33 H new ATOM 0 HB VAL A 97 10.902 6.861 6.842 1.00 41.14 H new ATOM 0 HG11 VAL A 97 8.718 7.984 6.698 1.00 41.52 H new ATOM 0 HG12 VAL A 97 9.668 8.192 5.207 1.00 41.52 H new ATOM 0 HG13 VAL A 97 8.324 7.026 5.252 1.00 41.52 H new ATOM 0 HG21 VAL A 97 8.974 5.943 8.067 1.00 44.32 H new ATOM 0 HG22 VAL A 97 8.592 4.901 6.676 1.00 44.32 H new ATOM 0 HG23 VAL A 97 10.111 4.666 7.572 1.00 44.32 H new ATOM 1491 N ARG A 98 8.996 4.082 4.336 1.00 4.33 N ATOM 1492 CA ARG A 98 7.910 3.595 3.495 1.00 21.13 C ATOM 1493 C ARG A 98 6.693 3.225 4.338 1.00 11.10 C ATOM 1494 O ARG A 98 6.827 2.788 5.481 1.00 32.32 O ATOM 1495 CB ARG A 98 8.368 2.382 2.684 1.00 43.44 C ATOM 1496 CG ARG A 98 8.523 1.118 3.513 1.00 74.44 C ATOM 1497 CD ARG A 98 9.826 1.120 4.296 1.00 72.52 C ATOM 1498 NE ARG A 98 10.310 -0.233 4.556 1.00 63.35 N ATOM 1499 CZ ARG A 98 10.952 -0.970 3.655 1.00 13.44 C ATOM 1500 NH1 ARG A 98 11.185 -0.486 2.444 1.00 51.12 N ATOM 1501 NH2 ARG A 98 11.362 -2.193 3.967 1.00 3.33 N ATOM 0 H ARG A 98 9.268 3.445 5.085 1.00 4.33 H new ATOM 0 HA ARG A 98 7.628 4.396 2.811 1.00 21.13 H new ATOM 0 HB2 ARG A 98 7.649 2.197 1.886 1.00 43.44 H new ATOM 0 HB3 ARG A 98 9.321 2.613 2.208 1.00 43.44 H new ATOM 0 HG2 ARG A 98 7.683 1.029 4.202 1.00 74.44 H new ATOM 0 HG3 ARG A 98 8.492 0.247 2.859 1.00 74.44 H new ATOM 0 HD2 ARG A 98 10.582 1.675 3.740 1.00 72.52 H new ATOM 0 HD3 ARG A 98 9.680 1.641 5.242 1.00 72.52 H new ATOM 0 HE ARG A 98 10.147 -0.634 5.479 1.00 63.35 H new ATOM 0 HH11 ARG A 98 10.872 0.454 2.201 1.00 51.12 H new ATOM 0 HH12 ARG A 98 11.678 -1.053 1.754 1.00 51.12 H new ATOM 0 HH21 ARG A 98 11.185 -2.568 4.899 1.00 3.33 H new ATOM 0 HH22 ARG A 98 11.855 -2.758 3.275 1.00 3.33 H new ATOM 1515 N VAL A 99 5.506 3.404 3.766 1.00 40.20 N ATOM 1516 CA VAL A 99 4.266 3.088 4.464 1.00 73.01 C ATOM 1517 C VAL A 99 3.570 1.888 3.832 1.00 30.13 C ATOM 1518 O VAL A 99 3.425 1.811 2.613 1.00 54.44 O ATOM 1519 CB VAL A 99 3.300 4.287 4.462 1.00 54.52 C ATOM 1520 CG1 VAL A 99 1.889 3.838 4.811 1.00 41.22 C ATOM 1521 CG2 VAL A 99 3.781 5.360 5.428 1.00 14.10 C ATOM 0 H VAL A 99 5.378 3.766 2.821 1.00 40.20 H new ATOM 0 HA VAL A 99 4.534 2.848 5.493 1.00 73.01 H new ATOM 0 HB VAL A 99 3.282 4.714 3.459 1.00 54.52 H new ATOM 0 HG11 VAL A 99 1.221 4.699 4.804 1.00 41.22 H new ATOM 0 HG12 VAL A 99 1.547 3.108 4.077 1.00 41.22 H new ATOM 0 HG13 VAL A 99 1.886 3.384 5.802 1.00 41.22 H new ATOM 0 HG21 VAL A 99 3.087 6.200 5.414 1.00 14.10 H new ATOM 0 HG22 VAL A 99 3.830 4.947 6.435 1.00 14.10 H new ATOM 0 HG23 VAL A 99 4.771 5.703 5.128 1.00 14.10 H new ATOM 1531 N THR A 100 3.139 0.951 4.672 1.00 20.03 N ATOM 1532 CA THR A 100 2.458 -0.247 4.196 1.00 5.14 C ATOM 1533 C THR A 100 1.058 -0.354 4.789 1.00 72.41 C ATOM 1534 O THR A 100 0.819 0.062 5.921 1.00 1.42 O ATOM 1535 CB THR A 100 3.251 -1.520 4.547 1.00 2.11 C ATOM 1536 OG1 THR A 100 2.781 -2.064 5.786 1.00 42.43 O ATOM 1537 CG2 THR A 100 4.739 -1.220 4.650 1.00 2.01 C ATOM 0 H THR A 100 3.250 0.999 5.685 1.00 20.03 H new ATOM 0 HA THR A 100 2.385 -0.161 3.112 1.00 5.14 H new ATOM 0 HB THR A 100 3.098 -2.248 3.750 1.00 2.11 H new ATOM 0 HG1 THR A 100 3.289 -2.874 6.001 1.00 42.43 H new ATOM 0 HG21 THR A 100 5.278 -2.134 4.899 1.00 2.01 H new ATOM 0 HG22 THR A 100 5.099 -0.834 3.696 1.00 2.01 H new ATOM 0 HG23 THR A 100 4.907 -0.476 5.429 1.00 2.01 H new ATOM 1545 N ASN A 101 0.135 -0.917 4.015 1.00 73.23 N ATOM 1546 CA ASN A 101 -1.243 -1.080 4.464 1.00 75.14 C ATOM 1547 C ASN A 101 -1.904 0.276 4.693 1.00 73.40 C ATOM 1548 O ASN A 101 -1.770 0.870 5.763 1.00 53.50 O ATOM 1549 CB ASN A 101 -1.288 -1.906 5.750 1.00 2.20 C ATOM 1550 CG ASN A 101 -2.521 -2.785 5.830 1.00 31.32 C ATOM 1551 OD1 ASN A 101 -2.433 -4.009 5.727 1.00 12.25 O ATOM 1552 ND2 ASN A 101 -3.680 -2.163 6.015 1.00 1.12 N ATOM 0 H ASN A 101 0.317 -1.268 3.075 1.00 73.23 H new ATOM 0 HA ASN A 101 -1.794 -1.606 3.684 1.00 75.14 H new ATOM 0 HB2 ASN A 101 -0.396 -2.530 5.809 1.00 2.20 H new ATOM 0 HB3 ASN A 101 -1.266 -1.236 6.610 1.00 2.20 H new ATOM 0 HD21 ASN A 101 -4.544 -2.702 6.077 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -3.706 -1.146 6.095 1.00 1.12 H new