USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 647 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 38 LYS NZ :NH3+ -139:sc= 0.663 (180deg=-0.735) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -1.23 F(o=-1.4,f=-0.57) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 13 SER OG : rot 127:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 20:sc= 0.28 USER MOD Single : A 36 SER OG : rot 70:sc= 1.23 USER MOD Single : A 37 SER OG : rot -49:sc= 0.6 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.63 K(o=-2.6,f=-4.1) USER MOD Single : A 64 GLN :FLIP amide:sc= 0.501 F(o=-0.066,f=0.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -4.36! C(o=-5.9!,f=-4.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -71:sc=0.000146 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 104 SER OG : rot -32:sc= 0.0528 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 3.143 -1.710 -2.604 1.00 31.50 N ATOM 12 CA ILE A 2 3.928 -2.911 -2.861 1.00 64.10 C ATOM 13 C ILE A 2 5.228 -2.573 -3.583 1.00 24.41 C ATOM 14 O ILE A 2 6.205 -3.320 -3.510 1.00 72.41 O ATOM 15 CB ILE A 2 3.138 -3.932 -3.701 1.00 40.20 C ATOM 16 CG1 ILE A 2 3.884 -5.267 -3.756 1.00 0.50 C ATOM 17 CG2 ILE A 2 2.901 -3.393 -5.104 1.00 2.00 C ATOM 18 CD1 ILE A 2 4.001 -5.949 -2.411 1.00 71.22 C ATOM 0 HA ILE A 2 4.157 -3.352 -1.891 1.00 64.10 H new ATOM 0 HB ILE A 2 2.170 -4.098 -3.228 1.00 40.20 H new ATOM 0 HG12 ILE A 2 3.370 -5.933 -4.449 1.00 0.50 H new ATOM 0 HG13 ILE A 2 4.883 -5.099 -4.158 1.00 0.50 H new ATOM 0 HG21 ILE A 2 2.342 -4.126 -5.686 1.00 2.00 H new ATOM 0 HG22 ILE A 2 2.332 -2.465 -5.046 1.00 2.00 H new ATOM 0 HG23 ILE A 2 3.859 -3.202 -5.587 1.00 2.00 H new ATOM 0 HD11 ILE A 2 4.541 -6.889 -2.525 1.00 71.22 H new ATOM 0 HD12 ILE A 2 4.542 -5.302 -1.721 1.00 71.22 H new ATOM 0 HD13 ILE A 2 3.005 -6.148 -2.016 1.00 71.22 H new ATOM 30 N THR A 3 5.235 -1.441 -4.280 1.00 23.05 N ATOM 31 CA THR A 3 6.415 -1.003 -5.014 1.00 42.04 C ATOM 32 C THR A 3 7.597 -0.785 -4.077 1.00 64.10 C ATOM 33 O THR A 3 8.750 -0.987 -4.459 1.00 42.42 O ATOM 34 CB THR A 3 6.143 0.300 -5.790 1.00 35.23 C ATOM 35 OG1 THR A 3 5.732 1.331 -4.885 1.00 44.53 O ATOM 36 CG2 THR A 3 5.068 0.087 -6.845 1.00 33.30 C ATOM 0 H THR A 3 4.436 -0.811 -4.351 1.00 23.05 H new ATOM 0 HA THR A 3 6.658 -1.795 -5.722 1.00 42.04 H new ATOM 0 HB THR A 3 7.065 0.600 -6.289 1.00 35.23 H new ATOM 0 HG1 THR A 3 5.563 2.157 -5.385 1.00 44.53 H new ATOM 0 HG21 THR A 3 4.893 1.021 -7.380 1.00 33.30 H new ATOM 0 HG22 THR A 3 5.395 -0.678 -7.549 1.00 33.30 H new ATOM 0 HG23 THR A 3 4.144 -0.234 -6.364 1.00 33.30 H new ATOM 44 N ASP A 4 7.304 -0.373 -2.849 1.00 21.34 N ATOM 45 CA ASP A 4 8.344 -0.130 -1.855 1.00 54.22 C ATOM 46 C ASP A 4 9.188 -1.381 -1.634 1.00 41.15 C ATOM 47 O ASP A 4 10.328 -1.299 -1.176 1.00 61.04 O ATOM 48 CB ASP A 4 7.720 0.320 -0.533 1.00 20.41 C ATOM 49 CG ASP A 4 7.351 1.790 -0.537 1.00 73.11 C ATOM 50 OD1 ASP A 4 6.696 2.235 -1.503 1.00 73.21 O ATOM 51 OD2 ASP A 4 7.716 2.496 0.426 1.00 33.41 O ATOM 0 H ASP A 4 6.355 -0.200 -2.517 1.00 21.34 H new ATOM 0 HA ASP A 4 8.993 0.662 -2.230 1.00 54.22 H new ATOM 0 HB2 ASP A 4 6.828 -0.275 -0.335 1.00 20.41 H new ATOM 0 HB3 ASP A 4 8.420 0.126 0.280 1.00 20.41 H new ATOM 56 N ILE A 5 8.621 -2.537 -1.962 1.00 54.21 N ATOM 57 CA ILE A 5 9.322 -3.804 -1.799 1.00 75.54 C ATOM 58 C ILE A 5 9.617 -4.447 -3.151 1.00 11.44 C ATOM 59 O ILE A 5 10.770 -4.735 -3.475 1.00 12.51 O ATOM 60 CB ILE A 5 8.508 -4.791 -0.941 1.00 61.54 C ATOM 61 CG1 ILE A 5 7.624 -4.031 0.050 1.00 65.33 C ATOM 62 CG2 ILE A 5 9.438 -5.746 -0.207 1.00 11.42 C ATOM 63 CD1 ILE A 5 6.849 -4.934 0.984 1.00 64.02 C ATOM 0 H ILE A 5 7.678 -2.622 -2.342 1.00 54.21 H new ATOM 0 HA ILE A 5 10.261 -3.582 -1.292 1.00 75.54 H new ATOM 0 HB ILE A 5 7.864 -5.376 -1.598 1.00 61.54 H new ATOM 0 HG12 ILE A 5 8.248 -3.360 0.641 1.00 65.33 H new ATOM 0 HG13 ILE A 5 6.923 -3.408 -0.505 1.00 65.33 H new ATOM 0 HG21 ILE A 5 8.848 -6.437 0.395 1.00 11.42 H new ATOM 0 HG22 ILE A 5 10.028 -6.308 -0.931 1.00 11.42 H new ATOM 0 HG23 ILE A 5 10.105 -5.178 0.442 1.00 11.42 H new ATOM 0 HD11 ILE A 5 6.244 -4.327 1.658 1.00 64.02 H new ATOM 0 HD12 ILE A 5 6.199 -5.587 0.402 1.00 64.02 H new ATOM 0 HD13 ILE A 5 7.545 -5.539 1.566 1.00 64.02 H new ATOM 75 N LEU A 6 8.569 -4.667 -3.936 1.00 74.22 N ATOM 76 CA LEU A 6 8.715 -5.274 -5.255 1.00 10.21 C ATOM 77 C LEU A 6 9.080 -4.224 -6.300 1.00 22.34 C ATOM 78 O LEU A 6 9.197 -3.039 -5.989 1.00 0.12 O ATOM 79 CB LEU A 6 7.421 -5.983 -5.658 1.00 51.32 C ATOM 80 CG LEU A 6 7.401 -7.500 -5.472 1.00 72.32 C ATOM 81 CD1 LEU A 6 7.875 -7.873 -4.076 1.00 62.32 C ATOM 82 CD2 LEU A 6 6.005 -8.051 -5.728 1.00 43.40 C ATOM 0 H LEU A 6 7.609 -4.434 -3.683 1.00 74.22 H new ATOM 0 HA LEU A 6 9.522 -6.005 -5.204 1.00 10.21 H new ATOM 0 HB2 LEU A 6 6.601 -5.555 -5.081 1.00 51.32 H new ATOM 0 HB3 LEU A 6 7.221 -5.763 -6.707 1.00 51.32 H new ATOM 0 HG LEU A 6 8.084 -7.944 -6.196 1.00 72.32 H new ATOM 0 HD11 LEU A 6 7.854 -8.957 -3.962 1.00 62.32 H new ATOM 0 HD12 LEU A 6 8.893 -7.512 -3.929 1.00 62.32 H new ATOM 0 HD13 LEU A 6 7.218 -7.417 -3.335 1.00 62.32 H new ATOM 0 HD21 LEU A 6 6.010 -9.132 -5.591 1.00 43.40 H new ATOM 0 HD22 LEU A 6 5.302 -7.600 -5.028 1.00 43.40 H new ATOM 0 HD23 LEU A 6 5.703 -7.816 -6.748 1.00 43.40 H new ATOM 94 N SER A 7 9.257 -4.668 -7.540 1.00 43.00 N ATOM 95 CA SER A 7 9.611 -3.767 -8.631 1.00 34.30 C ATOM 96 C SER A 7 8.576 -3.838 -9.750 1.00 43.33 C ATOM 97 O SER A 7 8.203 -4.921 -10.198 1.00 33.43 O ATOM 98 CB SER A 7 10.996 -4.115 -9.179 1.00 2.31 C ATOM 99 OG SER A 7 11.924 -3.077 -8.914 1.00 24.35 O ATOM 0 H SER A 7 9.161 -5.646 -7.814 1.00 43.00 H new ATOM 0 HA SER A 7 9.629 -2.750 -8.239 1.00 34.30 H new ATOM 0 HB2 SER A 7 11.346 -5.044 -8.729 1.00 2.31 H new ATOM 0 HB3 SER A 7 10.933 -4.286 -10.254 1.00 2.31 H new ATOM 0 HG SER A 7 12.802 -3.324 -9.272 1.00 24.35 H new ATOM 105 N ALA A 8 8.118 -2.673 -10.198 1.00 33.33 N ATOM 106 CA ALA A 8 7.128 -2.601 -11.266 1.00 23.44 C ATOM 107 C ALA A 8 7.684 -3.168 -12.568 1.00 1.41 C ATOM 108 O ALA A 8 6.934 -3.468 -13.497 1.00 31.12 O ATOM 109 CB ALA A 8 6.671 -1.164 -11.465 1.00 70.15 C ATOM 0 H ALA A 8 8.417 -1.767 -9.838 1.00 33.33 H new ATOM 0 HA ALA A 8 6.269 -3.206 -10.975 1.00 23.44 H new ATOM 0 HB1 ALA A 8 5.932 -1.125 -12.265 1.00 70.15 H new ATOM 0 HB2 ALA A 8 6.226 -0.792 -10.542 1.00 70.15 H new ATOM 0 HB3 ALA A 8 7.527 -0.544 -11.731 1.00 70.15 H new ATOM 115 N LYS A 9 9.004 -3.310 -12.630 1.00 34.50 N ATOM 116 CA LYS A 9 9.661 -3.841 -13.818 1.00 62.22 C ATOM 117 C LYS A 9 10.028 -5.309 -13.627 1.00 22.40 C ATOM 118 O LYS A 9 10.545 -5.954 -14.540 1.00 12.21 O ATOM 119 CB LYS A 9 10.918 -3.028 -14.137 1.00 54.23 C ATOM 120 CG LYS A 9 11.151 -2.828 -15.625 1.00 1.43 C ATOM 121 CD LYS A 9 12.305 -1.873 -15.885 1.00 32.55 C ATOM 122 CE LYS A 9 12.183 -1.210 -17.248 1.00 10.23 C ATOM 123 NZ LYS A 9 12.228 -2.205 -18.355 1.00 12.41 N ATOM 0 H LYS A 9 9.640 -3.065 -11.871 1.00 34.50 H new ATOM 0 HA LYS A 9 8.964 -3.765 -14.653 1.00 62.22 H new ATOM 0 HB2 LYS A 9 10.842 -2.053 -13.655 1.00 54.23 H new ATOM 0 HB3 LYS A 9 11.784 -3.530 -13.706 1.00 54.23 H new ATOM 0 HG2 LYS A 9 11.360 -3.789 -16.094 1.00 1.43 H new ATOM 0 HG3 LYS A 9 10.244 -2.439 -16.087 1.00 1.43 H new ATOM 0 HD2 LYS A 9 12.328 -1.109 -15.108 1.00 32.55 H new ATOM 0 HD3 LYS A 9 13.248 -2.416 -15.826 1.00 32.55 H new ATOM 0 HE2 LYS A 9 11.248 -0.653 -17.298 1.00 10.23 H new ATOM 0 HE3 LYS A 9 12.991 -0.489 -17.375 1.00 10.23 H new ATOM 0 HZ1 LYS A 9 12.227 -1.708 -19.269 1.00 12.41 H new ATOM 0 HZ2 LYS A 9 13.093 -2.777 -18.273 1.00 12.41 H new ATOM 0 HZ3 LYS A 9 11.396 -2.826 -18.298 1.00 12.41 H new ATOM 137 N ASP A 10 9.757 -5.832 -12.436 1.00 40.11 N ATOM 138 CA ASP A 10 10.057 -7.225 -12.126 1.00 75.13 C ATOM 139 C ASP A 10 8.773 -8.031 -11.951 1.00 40.13 C ATOM 140 O ASP A 10 8.722 -9.216 -12.283 1.00 45.42 O ATOM 141 CB ASP A 10 10.908 -7.316 -10.859 1.00 35.42 C ATOM 142 CG ASP A 10 12.277 -6.691 -11.035 1.00 24.31 C ATOM 143 OD1 ASP A 10 12.354 -5.577 -11.594 1.00 2.01 O ATOM 144 OD2 ASP A 10 13.273 -7.316 -10.613 1.00 72.10 O ATOM 0 H ASP A 10 9.330 -5.312 -11.669 1.00 40.11 H new ATOM 0 HA ASP A 10 10.618 -7.645 -12.961 1.00 75.13 H new ATOM 0 HB2 ASP A 10 10.388 -6.820 -10.039 1.00 35.42 H new ATOM 0 HB3 ASP A 10 11.023 -8.362 -10.577 1.00 35.42 H new ATOM 149 N ILE A 11 7.739 -7.381 -11.428 1.00 3.14 N ATOM 150 CA ILE A 11 6.456 -8.037 -11.209 1.00 23.23 C ATOM 151 C ILE A 11 5.849 -8.511 -12.525 1.00 44.41 C ATOM 152 O ILE A 11 5.574 -9.697 -12.701 1.00 44.14 O ATOM 153 CB ILE A 11 5.458 -7.100 -10.503 1.00 72.45 C ATOM 154 CG1 ILE A 11 5.980 -6.713 -9.118 1.00 55.03 C ATOM 155 CG2 ILE A 11 4.094 -7.765 -10.395 1.00 32.42 C ATOM 156 CD1 ILE A 11 5.402 -5.416 -8.596 1.00 42.12 C ATOM 0 H ILE A 11 7.765 -6.401 -11.148 1.00 3.14 H new ATOM 0 HA ILE A 11 6.647 -8.899 -10.569 1.00 23.23 H new ATOM 0 HB ILE A 11 5.352 -6.192 -11.096 1.00 72.45 H new ATOM 0 HG12 ILE A 11 5.749 -7.513 -8.415 1.00 55.03 H new ATOM 0 HG13 ILE A 11 7.066 -6.627 -9.159 1.00 55.03 H new ATOM 0 HG21 ILE A 11 3.399 -7.091 -9.894 1.00 32.42 H new ATOM 0 HG22 ILE A 11 3.721 -7.994 -11.393 1.00 32.42 H new ATOM 0 HG23 ILE A 11 4.183 -8.687 -9.820 1.00 32.42 H new ATOM 0 HD11 ILE A 11 5.816 -5.204 -7.610 1.00 42.12 H new ATOM 0 HD12 ILE A 11 5.655 -4.604 -9.278 1.00 42.12 H new ATOM 0 HD13 ILE A 11 4.318 -5.504 -8.523 1.00 42.12 H new ATOM 168 N GLU A 12 5.645 -7.575 -13.447 1.00 11.43 N ATOM 169 CA GLU A 12 5.071 -7.897 -14.748 1.00 23.20 C ATOM 170 C GLU A 12 6.030 -8.757 -15.567 1.00 51.31 C ATOM 171 O GLU A 12 5.612 -9.487 -16.466 1.00 43.51 O ATOM 172 CB GLU A 12 4.736 -6.616 -15.514 1.00 42.22 C ATOM 173 CG GLU A 12 3.569 -5.842 -14.925 1.00 2.32 C ATOM 174 CD GLU A 12 3.665 -4.352 -15.189 1.00 11.44 C ATOM 175 OE1 GLU A 12 4.737 -3.769 -14.923 1.00 70.12 O ATOM 176 OE2 GLU A 12 2.667 -3.768 -15.661 1.00 33.10 O ATOM 0 H GLU A 12 5.869 -6.588 -13.317 1.00 11.43 H new ATOM 0 HA GLU A 12 4.154 -8.462 -14.582 1.00 23.20 H new ATOM 0 HB2 GLU A 12 5.616 -5.973 -15.532 1.00 42.22 H new ATOM 0 HB3 GLU A 12 4.507 -6.871 -16.549 1.00 42.22 H new ATOM 0 HG2 GLU A 12 2.637 -6.222 -15.344 1.00 2.32 H new ATOM 0 HG3 GLU A 12 3.529 -6.015 -13.850 1.00 2.32 H new ATOM 183 N SER A 13 7.317 -8.664 -15.250 1.00 3.15 N ATOM 184 CA SER A 13 8.336 -9.429 -15.958 1.00 45.01 C ATOM 185 C SER A 13 8.468 -10.832 -15.373 1.00 11.45 C ATOM 186 O SER A 13 9.211 -11.665 -15.890 1.00 3.24 O ATOM 187 CB SER A 13 9.684 -8.708 -15.891 1.00 41.23 C ATOM 188 OG SER A 13 9.648 -7.491 -16.617 1.00 31.13 O ATOM 0 H SER A 13 7.679 -8.066 -14.507 1.00 3.15 H new ATOM 0 HA SER A 13 8.030 -9.516 -17.000 1.00 45.01 H new ATOM 0 HB2 SER A 13 9.941 -8.507 -14.851 1.00 41.23 H new ATOM 0 HB3 SER A 13 10.465 -9.353 -16.294 1.00 41.23 H new ATOM 0 HG SER A 13 9.944 -6.757 -16.039 1.00 31.13 H new ATOM 194 N ALA A 14 7.740 -11.085 -14.290 1.00 11.52 N ATOM 195 CA ALA A 14 7.773 -12.386 -13.634 1.00 53.10 C ATOM 196 C ALA A 14 6.455 -13.129 -13.824 1.00 31.45 C ATOM 197 O ALA A 14 6.410 -14.359 -13.766 1.00 61.03 O ATOM 198 CB ALA A 14 8.081 -12.223 -12.153 1.00 12.00 C ATOM 0 H ALA A 14 7.120 -10.406 -13.849 1.00 11.52 H new ATOM 0 HA ALA A 14 8.564 -12.978 -14.095 1.00 53.10 H new ATOM 0 HB1 ALA A 14 8.102 -13.203 -11.676 1.00 12.00 H new ATOM 0 HB2 ALA A 14 9.051 -11.740 -12.034 1.00 12.00 H new ATOM 0 HB3 ALA A 14 7.311 -11.609 -11.687 1.00 12.00 H new ATOM 455 N THR A 32 13.490 -12.486 -11.436 1.00 31.41 N ATOM 456 CA THR A 32 12.218 -12.755 -10.776 1.00 44.02 C ATOM 457 C THR A 32 11.616 -11.478 -10.202 1.00 41.54 C ATOM 458 O THR A 32 12.318 -10.488 -9.991 1.00 61.45 O ATOM 459 CB THR A 32 12.380 -13.787 -9.644 1.00 11.43 C ATOM 460 OG1 THR A 32 13.223 -14.860 -10.076 1.00 21.33 O ATOM 461 CG2 THR A 32 11.028 -14.337 -9.216 1.00 72.35 C ATOM 0 HA THR A 32 11.548 -13.160 -11.534 1.00 44.02 H new ATOM 0 HB THR A 32 12.838 -13.288 -8.790 1.00 11.43 H new ATOM 0 HG1 THR A 32 13.759 -14.567 -10.842 1.00 21.33 H new ATOM 0 HG21 THR A 32 11.168 -15.064 -8.416 1.00 72.35 H new ATOM 0 HG22 THR A 32 10.400 -13.521 -8.859 1.00 72.35 H new ATOM 0 HG23 THR A 32 10.547 -14.821 -10.066 1.00 72.35 H new ATOM 469 N VAL A 33 10.311 -11.505 -9.951 1.00 21.12 N ATOM 470 CA VAL A 33 9.614 -10.349 -9.399 1.00 63.21 C ATOM 471 C VAL A 33 10.372 -9.766 -8.211 1.00 74.43 C ATOM 472 O VAL A 33 10.399 -8.552 -8.014 1.00 70.42 O ATOM 473 CB VAL A 33 8.186 -10.715 -8.954 1.00 11.21 C ATOM 474 CG1 VAL A 33 8.204 -11.945 -8.060 1.00 35.31 C ATOM 475 CG2 VAL A 33 7.532 -9.539 -8.244 1.00 22.02 C ATOM 0 H VAL A 33 9.715 -12.315 -10.121 1.00 21.12 H new ATOM 0 HA VAL A 33 9.559 -9.603 -10.192 1.00 63.21 H new ATOM 0 HB VAL A 33 7.596 -10.949 -9.840 1.00 11.21 H new ATOM 0 HG11 VAL A 33 7.186 -12.188 -7.756 1.00 35.31 H new ATOM 0 HG12 VAL A 33 8.630 -12.786 -8.607 1.00 35.31 H new ATOM 0 HG13 VAL A 33 8.809 -11.743 -7.176 1.00 35.31 H new ATOM 0 HG21 VAL A 33 6.523 -9.815 -7.936 1.00 22.02 H new ATOM 0 HG22 VAL A 33 8.119 -9.272 -7.365 1.00 22.02 H new ATOM 0 HG23 VAL A 33 7.484 -8.686 -8.921 1.00 22.02 H new ATOM 485 N GLY A 34 10.987 -10.641 -7.421 1.00 72.54 N ATOM 486 CA GLY A 34 11.737 -10.195 -6.262 1.00 41.12 C ATOM 487 C GLY A 34 11.280 -10.866 -4.982 1.00 40.31 C ATOM 488 O GLY A 34 12.094 -11.181 -4.113 1.00 13.24 O ATOM 0 H GLY A 34 10.979 -11.651 -7.563 1.00 72.54 H new ATOM 0 HA2 GLY A 34 12.796 -10.400 -6.418 1.00 41.12 H new ATOM 0 HA3 GLY A 34 11.633 -9.115 -6.159 1.00 41.12 H new ATOM 492 N LEU A 35 9.975 -11.084 -4.864 1.00 10.22 N ATOM 493 CA LEU A 35 9.410 -11.720 -3.679 1.00 71.40 C ATOM 494 C LEU A 35 10.151 -13.012 -3.349 1.00 4.22 C ATOM 495 O LEU A 35 10.666 -13.179 -2.243 1.00 51.51 O ATOM 496 CB LEU A 35 7.924 -12.013 -3.893 1.00 13.53 C ATOM 497 CG LEU A 35 6.971 -11.458 -2.832 1.00 65.35 C ATOM 498 CD1 LEU A 35 5.567 -12.002 -3.040 1.00 34.51 C ATOM 499 CD2 LEU A 35 7.475 -11.794 -1.436 1.00 54.21 C ATOM 0 H LEU A 35 9.288 -10.830 -5.574 1.00 10.22 H new ATOM 0 HA LEU A 35 9.522 -11.033 -2.840 1.00 71.40 H new ATOM 0 HB2 LEU A 35 7.631 -11.610 -4.863 1.00 13.53 H new ATOM 0 HB3 LEU A 35 7.791 -13.094 -3.943 1.00 13.53 H new ATOM 0 HG LEU A 35 6.936 -10.373 -2.933 1.00 65.35 H new ATOM 0 HD11 LEU A 35 4.903 -11.597 -2.277 1.00 34.51 H new ATOM 0 HD12 LEU A 35 5.206 -11.711 -4.026 1.00 34.51 H new ATOM 0 HD13 LEU A 35 5.584 -13.089 -2.966 1.00 34.51 H new ATOM 0 HD21 LEU A 35 6.786 -11.392 -0.694 1.00 54.21 H new ATOM 0 HD22 LEU A 35 7.539 -12.876 -1.323 1.00 54.21 H new ATOM 0 HD23 LEU A 35 8.462 -11.355 -1.290 1.00 54.21 H new ATOM 511 N SER A 36 10.204 -13.922 -4.316 1.00 53.00 N ATOM 512 CA SER A 36 10.881 -15.200 -4.128 1.00 1.54 C ATOM 513 C SER A 36 12.371 -14.992 -3.875 1.00 64.13 C ATOM 514 O SER A 36 13.063 -15.893 -3.401 1.00 21.02 O ATOM 515 CB SER A 36 10.679 -16.093 -5.353 1.00 23.42 C ATOM 516 OG SER A 36 11.146 -17.409 -5.107 1.00 0.41 O ATOM 0 H SER A 36 9.786 -13.798 -5.238 1.00 53.00 H new ATOM 0 HA SER A 36 10.447 -15.689 -3.256 1.00 1.54 H new ATOM 0 HB2 SER A 36 9.621 -16.122 -5.615 1.00 23.42 H new ATOM 0 HB3 SER A 36 11.208 -15.670 -6.207 1.00 23.42 H new ATOM 0 HG SER A 36 10.557 -17.850 -4.460 1.00 0.41 H new ATOM 522 N SER A 37 12.859 -13.798 -4.196 1.00 60.04 N ATOM 523 CA SER A 37 14.268 -13.472 -4.009 1.00 12.13 C ATOM 524 C SER A 37 14.434 -12.341 -2.999 1.00 13.53 C ATOM 525 O SER A 37 15.370 -11.546 -3.087 1.00 12.42 O ATOM 526 CB SER A 37 14.904 -13.077 -5.343 1.00 31.21 C ATOM 527 OG SER A 37 16.309 -12.944 -5.218 1.00 42.13 O ATOM 0 H SER A 37 12.299 -13.040 -4.587 1.00 60.04 H new ATOM 0 HA SER A 37 14.772 -14.358 -3.623 1.00 12.13 H new ATOM 0 HB2 SER A 37 14.672 -13.829 -6.097 1.00 31.21 H new ATOM 0 HB3 SER A 37 14.476 -12.136 -5.689 1.00 31.21 H new ATOM 0 HG SER A 37 16.517 -12.391 -4.436 1.00 42.13 H new ATOM 533 N LYS A 38 13.518 -12.274 -2.039 1.00 34.14 N ATOM 534 CA LYS A 38 13.560 -11.242 -1.010 1.00 5.04 C ATOM 535 C LYS A 38 14.016 -11.823 0.325 1.00 0.02 C ATOM 536 O LYS A 38 14.295 -13.018 0.432 1.00 53.22 O ATOM 537 CB LYS A 38 12.184 -10.593 -0.852 1.00 13.41 C ATOM 538 CG LYS A 38 11.943 -9.437 -1.807 1.00 45.44 C ATOM 539 CD LYS A 38 12.164 -8.096 -1.127 1.00 53.21 C ATOM 540 CE LYS A 38 12.269 -6.967 -2.141 1.00 62.00 C ATOM 541 NZ LYS A 38 12.563 -5.661 -1.488 1.00 55.05 N ATOM 0 H LYS A 38 12.736 -12.923 -1.952 1.00 34.14 H new ATOM 0 HA LYS A 38 14.279 -10.484 -1.321 1.00 5.04 H new ATOM 0 HB2 LYS A 38 11.415 -11.349 -1.009 1.00 13.41 H new ATOM 0 HB3 LYS A 38 12.076 -10.236 0.172 1.00 13.41 H new ATOM 0 HG2 LYS A 38 12.611 -9.526 -2.663 1.00 45.44 H new ATOM 0 HG3 LYS A 38 10.924 -9.488 -2.191 1.00 45.44 H new ATOM 0 HD2 LYS A 38 11.341 -7.895 -0.441 1.00 53.21 H new ATOM 0 HD3 LYS A 38 13.075 -8.136 -0.529 1.00 53.21 H new ATOM 0 HE2 LYS A 38 13.054 -7.198 -2.861 1.00 62.00 H new ATOM 0 HE3 LYS A 38 11.336 -6.892 -2.699 1.00 62.00 H new ATOM 0 HZ1 LYS A 38 11.997 -4.913 -1.938 1.00 55.05 H new ATOM 0 HZ2 LYS A 38 12.323 -5.716 -0.478 1.00 55.05 H new ATOM 0 HZ3 LYS A 38 13.574 -5.441 -1.592 1.00 55.05 H new ATOM 555 N THR A 39 14.089 -10.970 1.343 1.00 74.52 N ATOM 556 CA THR A 39 14.510 -11.399 2.670 1.00 32.35 C ATOM 557 C THR A 39 13.321 -11.874 3.498 1.00 72.32 C ATOM 558 O THR A 39 12.178 -11.478 3.270 1.00 15.14 O ATOM 559 CB THR A 39 15.226 -10.264 3.426 1.00 20.35 C ATOM 560 OG1 THR A 39 16.518 -10.703 3.859 1.00 24.44 O ATOM 561 CG2 THR A 39 14.409 -9.815 4.628 1.00 12.51 C ATOM 0 H THR A 39 13.862 -9.978 1.273 1.00 74.52 H new ATOM 0 HA THR A 39 15.205 -12.227 2.529 1.00 32.35 H new ATOM 0 HB THR A 39 15.338 -9.419 2.747 1.00 20.35 H new ATOM 0 HG1 THR A 39 16.967 -9.975 4.337 1.00 24.44 H new ATOM 0 HG21 THR A 39 14.935 -9.013 5.146 1.00 12.51 H new ATOM 0 HG22 THR A 39 13.437 -9.454 4.293 1.00 12.51 H new ATOM 0 HG23 THR A 39 14.270 -10.656 5.308 1.00 12.51 H new ATOM 569 N PRO A 40 13.593 -12.744 4.482 1.00 4.42 N ATOM 570 CA PRO A 40 12.558 -13.290 5.364 1.00 22.44 C ATOM 571 C PRO A 40 11.993 -12.241 6.315 1.00 10.30 C ATOM 572 O PRO A 40 12.310 -12.232 7.505 1.00 74.13 O ATOM 573 CB PRO A 40 13.298 -14.378 6.148 1.00 51.05 C ATOM 574 CG PRO A 40 14.726 -13.954 6.127 1.00 21.42 C ATOM 575 CD PRO A 40 14.933 -13.259 4.810 1.00 21.21 C ATOM 0 HA PRO A 40 11.698 -13.658 4.804 1.00 22.44 H new ATOM 0 HB2 PRO A 40 12.923 -14.455 7.168 1.00 51.05 H new ATOM 0 HB3 PRO A 40 13.169 -15.357 5.686 1.00 51.05 H new ATOM 0 HG2 PRO A 40 14.947 -13.286 6.960 1.00 21.42 H new ATOM 0 HG3 PRO A 40 15.390 -14.813 6.223 1.00 21.42 H new ATOM 0 HD2 PRO A 40 15.664 -12.455 4.891 1.00 21.21 H new ATOM 0 HD3 PRO A 40 15.298 -13.946 4.046 1.00 21.21 H new ATOM 583 N ASP A 41 11.155 -11.358 5.783 1.00 10.21 N ATOM 584 CA ASP A 41 10.544 -10.304 6.585 1.00 20.11 C ATOM 585 C ASP A 41 9.609 -9.448 5.736 1.00 5.22 C ATOM 586 O ASP A 41 8.496 -9.129 6.152 1.00 2.35 O ATOM 587 CB ASP A 41 11.624 -9.427 7.221 1.00 55.44 C ATOM 588 CG ASP A 41 11.363 -9.162 8.691 1.00 43.15 C ATOM 589 OD1 ASP A 41 10.181 -9.022 9.068 1.00 63.14 O ATOM 590 OD2 ASP A 41 12.342 -9.094 9.464 1.00 51.22 O ATOM 0 H ASP A 41 10.883 -11.351 4.800 1.00 10.21 H new ATOM 0 HA ASP A 41 9.958 -10.775 7.375 1.00 20.11 H new ATOM 0 HB2 ASP A 41 12.594 -9.911 7.109 1.00 55.44 H new ATOM 0 HB3 ASP A 41 11.678 -8.478 6.688 1.00 55.44 H new ATOM 595 N GLN A 42 10.071 -9.079 4.546 1.00 42.12 N ATOM 596 CA GLN A 42 9.277 -8.258 3.640 1.00 53.03 C ATOM 597 C GLN A 42 8.205 -9.093 2.946 1.00 23.15 C ATOM 598 O GLN A 42 7.159 -8.576 2.554 1.00 41.33 O ATOM 599 CB GLN A 42 10.177 -7.595 2.596 1.00 4.54 C ATOM 600 CG GLN A 42 11.435 -6.975 3.184 1.00 12.42 C ATOM 601 CD GLN A 42 12.421 -6.535 2.120 1.00 22.51 C ATOM 602 OE1 GLN A 42 12.328 -5.276 1.709 1.00 64.31 O flip ATOM 603 NE2 GLN A 42 13.258 -7.319 1.672 1.00 34.22 N flip ATOM 0 H GLN A 42 10.991 -9.335 4.187 1.00 42.12 H new ATOM 0 HA GLN A 42 8.785 -7.484 4.230 1.00 53.03 H new ATOM 0 HB2 GLN A 42 10.462 -8.337 1.850 1.00 4.54 H new ATOM 0 HB3 GLN A 42 9.610 -6.823 2.077 1.00 4.54 H new ATOM 0 HG2 GLN A 42 11.160 -6.116 3.797 1.00 12.42 H new ATOM 0 HG3 GLN A 42 11.917 -7.696 3.844 1.00 12.42 H new ATOM 0 HE21 GLN A 42 13.294 -8.278 2.017 1.00 34.22 H new ATOM 0 HE22 GLN A 42 13.915 -7.009 0.956 1.00 34.22 H new ATOM 612 N ILE A 43 8.473 -10.386 2.799 1.00 23.12 N ATOM 613 CA ILE A 43 7.532 -11.292 2.154 1.00 74.31 C ATOM 614 C ILE A 43 6.169 -11.247 2.837 1.00 50.10 C ATOM 615 O ILE A 43 5.139 -11.078 2.183 1.00 4.13 O ATOM 616 CB ILE A 43 8.050 -12.743 2.163 1.00 53.31 C ATOM 617 CG1 ILE A 43 9.361 -12.844 1.380 1.00 14.24 C ATOM 618 CG2 ILE A 43 7.005 -13.682 1.580 1.00 74.02 C ATOM 619 CD1 ILE A 43 9.998 -14.214 1.444 1.00 3.04 C ATOM 0 H ILE A 43 9.334 -10.829 3.118 1.00 23.12 H new ATOM 0 HA ILE A 43 7.430 -10.958 1.122 1.00 74.31 H new ATOM 0 HB ILE A 43 8.241 -13.039 3.195 1.00 53.31 H new ATOM 0 HG12 ILE A 43 9.173 -12.588 0.337 1.00 14.24 H new ATOM 0 HG13 ILE A 43 10.064 -12.107 1.767 1.00 14.24 H new ATOM 0 HG21 ILE A 43 7.386 -14.703 1.593 1.00 74.02 H new ATOM 0 HG22 ILE A 43 6.094 -13.627 2.175 1.00 74.02 H new ATOM 0 HG23 ILE A 43 6.786 -13.390 0.553 1.00 74.02 H new ATOM 0 HD11 ILE A 43 10.923 -14.213 0.867 1.00 3.04 H new ATOM 0 HD12 ILE A 43 10.218 -14.465 2.482 1.00 3.04 H new ATOM 0 HD13 ILE A 43 9.313 -14.954 1.029 1.00 3.04 H new ATOM 631 N LYS A 44 6.170 -11.397 4.157 1.00 32.22 N ATOM 632 CA LYS A 44 4.935 -11.370 4.932 1.00 73.44 C ATOM 633 C LYS A 44 4.162 -10.080 4.679 1.00 0.20 C ATOM 634 O LYS A 44 2.931 -10.071 4.676 1.00 71.42 O ATOM 635 CB LYS A 44 5.241 -11.510 6.424 1.00 4.14 C ATOM 636 CG LYS A 44 5.674 -10.210 7.081 1.00 70.15 C ATOM 637 CD LYS A 44 6.411 -10.462 8.385 1.00 20.31 C ATOM 638 CE LYS A 44 5.851 -9.613 9.515 1.00 15.42 C ATOM 639 NZ LYS A 44 4.830 -10.350 10.310 1.00 22.44 N ATOM 0 H LYS A 44 7.013 -11.539 4.713 1.00 32.22 H new ATOM 0 HA LYS A 44 4.318 -12.211 4.614 1.00 73.44 H new ATOM 0 HB2 LYS A 44 4.355 -11.888 6.934 1.00 4.14 H new ATOM 0 HB3 LYS A 44 6.027 -12.254 6.557 1.00 4.14 H new ATOM 0 HG2 LYS A 44 6.318 -9.654 6.400 1.00 70.15 H new ATOM 0 HG3 LYS A 44 4.799 -9.588 7.271 1.00 70.15 H new ATOM 0 HD2 LYS A 44 6.335 -11.517 8.649 1.00 20.31 H new ATOM 0 HD3 LYS A 44 7.470 -10.242 8.254 1.00 20.31 H new ATOM 0 HE2 LYS A 44 6.664 -9.299 10.170 1.00 15.42 H new ATOM 0 HE3 LYS A 44 5.406 -8.708 9.103 1.00 15.42 H new ATOM 0 HZ1 LYS A 44 4.473 -9.737 11.070 1.00 22.44 H new ATOM 0 HZ2 LYS A 44 4.042 -10.628 9.691 1.00 22.44 H new ATOM 0 HZ3 LYS A 44 5.261 -11.201 10.725 1.00 22.44 H new ATOM 653 N LYS A 45 4.892 -8.990 4.466 1.00 24.42 N ATOM 654 CA LYS A 45 4.277 -7.694 4.210 1.00 55.14 C ATOM 655 C LYS A 45 3.591 -7.677 2.847 1.00 34.43 C ATOM 656 O LYS A 45 2.716 -6.850 2.592 1.00 75.14 O ATOM 657 CB LYS A 45 5.328 -6.584 4.276 1.00 25.42 C ATOM 658 CG LYS A 45 5.494 -5.986 5.662 1.00 4.13 C ATOM 659 CD LYS A 45 4.578 -4.791 5.867 1.00 45.21 C ATOM 660 CE LYS A 45 5.018 -3.601 5.027 1.00 23.32 C ATOM 661 NZ LYS A 45 4.544 -2.312 5.601 1.00 11.40 N ATOM 0 H LYS A 45 5.912 -8.979 4.466 1.00 24.42 H new ATOM 0 HA LYS A 45 3.525 -7.520 4.979 1.00 55.14 H new ATOM 0 HB2 LYS A 45 6.287 -6.983 3.944 1.00 25.42 H new ATOM 0 HB3 LYS A 45 5.053 -5.793 3.579 1.00 25.42 H new ATOM 0 HG2 LYS A 45 5.278 -6.744 6.415 1.00 4.13 H new ATOM 0 HG3 LYS A 45 6.530 -5.680 5.806 1.00 4.13 H new ATOM 0 HD2 LYS A 45 3.556 -5.065 5.605 1.00 45.21 H new ATOM 0 HD3 LYS A 45 4.572 -4.512 6.921 1.00 45.21 H new ATOM 0 HE2 LYS A 45 6.106 -3.589 4.956 1.00 23.32 H new ATOM 0 HE3 LYS A 45 4.634 -3.710 4.013 1.00 23.32 H new ATOM 0 HZ1 LYS A 45 4.864 -1.526 5.000 1.00 11.40 H new ATOM 0 HZ2 LYS A 45 3.505 -2.313 5.645 1.00 11.40 H new ATOM 0 HZ3 LYS A 45 4.931 -2.195 6.559 1.00 11.40 H new ATOM 675 N VAL A 46 3.993 -8.597 1.976 1.00 34.51 N ATOM 676 CA VAL A 46 3.415 -8.690 0.641 1.00 74.12 C ATOM 677 C VAL A 46 2.157 -9.552 0.645 1.00 64.43 C ATOM 678 O VAL A 46 1.321 -9.454 -0.254 1.00 25.41 O ATOM 679 CB VAL A 46 4.422 -9.275 -0.367 1.00 53.24 C ATOM 680 CG1 VAL A 46 3.792 -9.388 -1.747 1.00 52.43 C ATOM 681 CG2 VAL A 46 5.682 -8.424 -0.415 1.00 52.14 C ATOM 0 H VAL A 46 4.717 -9.289 2.171 1.00 34.51 H new ATOM 0 HA VAL A 46 3.156 -7.676 0.337 1.00 74.12 H new ATOM 0 HB VAL A 46 4.699 -10.276 -0.038 1.00 53.24 H new ATOM 0 HG11 VAL A 46 4.518 -9.803 -2.446 1.00 52.43 H new ATOM 0 HG12 VAL A 46 2.922 -10.042 -1.697 1.00 52.43 H new ATOM 0 HG13 VAL A 46 3.484 -8.400 -2.088 1.00 52.43 H new ATOM 0 HG21 VAL A 46 6.383 -8.852 -1.132 1.00 52.14 H new ATOM 0 HG22 VAL A 46 5.425 -7.410 -0.720 1.00 52.14 H new ATOM 0 HG23 VAL A 46 6.143 -8.400 0.573 1.00 52.14 H new ATOM 691 N PHE A 47 2.029 -10.397 1.662 1.00 23.43 N ATOM 692 CA PHE A 47 0.874 -11.278 1.784 1.00 74.43 C ATOM 693 C PHE A 47 -0.313 -10.538 2.395 1.00 64.31 C ATOM 694 O PHE A 47 -1.465 -10.923 2.201 1.00 10.30 O ATOM 695 CB PHE A 47 1.223 -12.498 2.638 1.00 22.53 C ATOM 696 CG PHE A 47 0.085 -12.978 3.492 1.00 34.33 C ATOM 697 CD1 PHE A 47 -0.915 -13.773 2.955 1.00 50.15 C ATOM 698 CD2 PHE A 47 0.014 -12.635 4.833 1.00 62.32 C ATOM 699 CE1 PHE A 47 -1.964 -14.215 3.738 1.00 32.01 C ATOM 700 CE2 PHE A 47 -1.032 -13.075 5.621 1.00 14.15 C ATOM 701 CZ PHE A 47 -2.022 -13.867 5.073 1.00 13.34 C ATOM 0 H PHE A 47 2.712 -10.490 2.414 1.00 23.43 H new ATOM 0 HA PHE A 47 0.596 -11.611 0.784 1.00 74.43 H new ATOM 0 HB2 PHE A 47 1.543 -13.309 1.984 1.00 22.53 H new ATOM 0 HB3 PHE A 47 2.069 -12.252 3.279 1.00 22.53 H new ATOM 0 HD1 PHE A 47 -0.874 -14.050 1.912 1.00 50.15 H new ATOM 0 HD2 PHE A 47 0.786 -12.016 5.267 1.00 62.32 H new ATOM 0 HE1 PHE A 47 -2.738 -14.832 3.306 1.00 32.01 H new ATOM 0 HE2 PHE A 47 -1.076 -12.800 6.664 1.00 14.15 H new ATOM 0 HZ PHE A 47 -2.840 -14.213 5.687 1.00 13.34 H new ATOM 711 N GLY A 48 -0.020 -9.473 3.136 1.00 73.34 N ATOM 712 CA GLY A 48 -1.072 -8.696 3.765 1.00 70.21 C ATOM 713 C GLY A 48 -1.856 -7.866 2.768 1.00 65.15 C ATOM 714 O GLY A 48 -2.858 -7.243 3.120 1.00 64.31 O ATOM 0 H GLY A 48 0.926 -9.135 3.312 1.00 73.34 H new ATOM 0 HA2 GLY A 48 -1.752 -9.368 4.288 1.00 70.21 H new ATOM 0 HA3 GLY A 48 -0.634 -8.038 4.516 1.00 70.21 H new ATOM 718 N ILE A 49 -1.398 -7.856 1.520 1.00 11.31 N ATOM 719 CA ILE A 49 -2.063 -7.095 0.469 1.00 31.24 C ATOM 720 C ILE A 49 -2.990 -7.986 -0.351 1.00 42.32 C ATOM 721 O ILE A 49 -3.782 -7.499 -1.159 1.00 14.13 O ATOM 722 CB ILE A 49 -1.044 -6.427 -0.473 1.00 34.11 C ATOM 723 CG1 ILE A 49 0.034 -5.705 0.337 1.00 45.24 C ATOM 724 CG2 ILE A 49 -1.748 -5.458 -1.412 1.00 25.23 C ATOM 725 CD1 ILE A 49 1.143 -5.126 -0.515 1.00 30.42 C ATOM 0 H ILE A 49 -0.570 -8.366 1.212 1.00 11.31 H new ATOM 0 HA ILE A 49 -2.650 -6.321 0.963 1.00 31.24 H new ATOM 0 HB ILE A 49 -0.564 -7.200 -1.073 1.00 34.11 H new ATOM 0 HG12 ILE A 49 -0.430 -4.902 0.910 1.00 45.24 H new ATOM 0 HG13 ILE A 49 0.465 -6.402 1.056 1.00 45.24 H new ATOM 0 HG21 ILE A 49 -1.015 -4.993 -2.072 1.00 25.23 H new ATOM 0 HG22 ILE A 49 -2.482 -5.999 -2.009 1.00 25.23 H new ATOM 0 HG23 ILE A 49 -2.251 -4.687 -0.829 1.00 25.23 H new ATOM 0 HD11 ILE A 49 1.872 -4.629 0.125 1.00 30.42 H new ATOM 0 HD12 ILE A 49 1.633 -5.927 -1.068 1.00 30.42 H new ATOM 0 HD13 ILE A 49 0.724 -4.404 -1.216 1.00 30.42 H new ATOM 737 N LEU A 50 -2.886 -9.293 -0.138 1.00 54.13 N ATOM 738 CA LEU A 50 -3.717 -10.253 -0.857 1.00 21.21 C ATOM 739 C LEU A 50 -5.056 -10.450 -0.153 1.00 3.52 C ATOM 740 O LEU A 50 -6.115 -10.329 -0.768 1.00 14.22 O ATOM 741 CB LEU A 50 -2.991 -11.594 -0.980 1.00 2.14 C ATOM 742 CG LEU A 50 -1.463 -11.533 -0.974 1.00 41.32 C ATOM 743 CD1 LEU A 50 -0.872 -12.927 -1.111 1.00 73.44 C ATOM 744 CD2 LEU A 50 -0.961 -10.627 -2.090 1.00 35.14 C ATOM 0 H LEU A 50 -2.235 -9.712 0.526 1.00 54.13 H new ATOM 0 HA LEU A 50 -3.907 -9.856 -1.854 1.00 21.21 H new ATOM 0 HB2 LEU A 50 -3.312 -12.235 -0.159 1.00 2.14 H new ATOM 0 HB3 LEU A 50 -3.312 -12.075 -1.904 1.00 2.14 H new ATOM 0 HG LEU A 50 -1.139 -11.116 -0.020 1.00 41.32 H new ATOM 0 HD11 LEU A 50 0.216 -12.863 -1.105 1.00 73.44 H new ATOM 0 HD12 LEU A 50 -1.204 -13.546 -0.278 1.00 73.44 H new ATOM 0 HD13 LEU A 50 -1.204 -13.372 -2.049 1.00 73.44 H new ATOM 0 HD21 LEU A 50 0.128 -10.595 -2.071 1.00 35.14 H new ATOM 0 HD22 LEU A 50 -1.296 -11.015 -3.052 1.00 35.14 H new ATOM 0 HD23 LEU A 50 -1.356 -9.621 -1.947 1.00 35.14 H new ATOM 756 N ASP A 51 -5.000 -10.751 1.140 1.00 43.42 N ATOM 757 CA ASP A 51 -6.208 -10.960 1.929 1.00 21.40 C ATOM 758 C ASP A 51 -7.261 -9.907 1.601 1.00 50.40 C ATOM 759 O ASP A 51 -6.933 -8.802 1.168 1.00 60.41 O ATOM 760 CB ASP A 51 -5.880 -10.924 3.422 1.00 1.25 C ATOM 761 CG ASP A 51 -6.750 -11.867 4.230 1.00 61.35 C ATOM 762 OD1 ASP A 51 -7.915 -12.083 3.835 1.00 22.03 O ATOM 763 OD2 ASP A 51 -6.266 -12.389 5.256 1.00 71.40 O ATOM 0 H ASP A 51 -4.131 -10.856 1.664 1.00 43.42 H new ATOM 0 HA ASP A 51 -6.611 -11.941 1.677 1.00 21.40 H new ATOM 0 HB2 ASP A 51 -4.832 -11.187 3.567 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -6.008 -9.908 3.795 1.00 1.25 H new ATOM 768 N GLN A 52 -8.526 -10.257 1.809 1.00 11.35 N ATOM 769 CA GLN A 52 -9.627 -9.341 1.534 1.00 61.02 C ATOM 770 C GLN A 52 -9.674 -8.220 2.567 1.00 73.11 C ATOM 771 O GLN A 52 -9.814 -7.047 2.219 1.00 64.41 O ATOM 772 CB GLN A 52 -10.957 -10.097 1.523 1.00 24.20 C ATOM 773 CG GLN A 52 -11.242 -10.845 2.815 1.00 23.15 C ATOM 774 CD GLN A 52 -12.445 -11.761 2.706 1.00 3.05 C ATOM 775 OE1 GLN A 52 -13.205 -11.694 1.740 1.00 10.02 O ATOM 776 NE2 GLN A 52 -12.624 -12.624 3.700 1.00 61.04 N ATOM 0 H GLN A 52 -8.814 -11.168 2.167 1.00 11.35 H new ATOM 0 HA GLN A 52 -9.461 -8.898 0.552 1.00 61.02 H new ATOM 0 HB2 GLN A 52 -11.766 -9.390 1.336 1.00 24.20 H new ATOM 0 HB3 GLN A 52 -10.956 -10.806 0.695 1.00 24.20 H new ATOM 0 HG2 GLN A 52 -10.366 -11.433 3.091 1.00 23.15 H new ATOM 0 HG3 GLN A 52 -11.409 -10.126 3.617 1.00 23.15 H new ATOM 0 HE21 GLN A 52 -11.969 -12.645 4.481 1.00 61.04 H new ATOM 0 HE22 GLN A 52 -13.417 -13.266 3.682 1.00 61.04 H new ATOM 837 N PHE A 57 -6.602 -15.410 8.121 1.00 70.40 N ATOM 838 CA PHE A 57 -6.067 -16.353 7.145 1.00 3.14 C ATOM 839 C PHE A 57 -6.736 -16.168 5.787 1.00 60.04 C ATOM 840 O PHE A 57 -7.748 -15.477 5.671 1.00 55.13 O ATOM 841 CB PHE A 57 -6.263 -17.790 7.632 1.00 34.11 C ATOM 842 CG PHE A 57 -5.615 -18.068 8.958 1.00 63.11 C ATOM 843 CD1 PHE A 57 -6.291 -17.818 10.141 1.00 12.20 C ATOM 844 CD2 PHE A 57 -4.329 -18.580 9.021 1.00 21.23 C ATOM 845 CE1 PHE A 57 -5.696 -18.072 11.362 1.00 12.13 C ATOM 846 CE2 PHE A 57 -3.729 -18.837 10.240 1.00 41.22 C ATOM 847 CZ PHE A 57 -4.414 -18.583 11.412 1.00 71.22 C ATOM 0 HA PHE A 57 -5.001 -16.157 7.034 1.00 3.14 H new ATOM 0 HB2 PHE A 57 -7.331 -17.997 7.708 1.00 34.11 H new ATOM 0 HB3 PHE A 57 -5.858 -18.476 6.888 1.00 34.11 H new ATOM 0 HD1 PHE A 57 -7.294 -17.420 10.109 1.00 12.20 H new ATOM 0 HD2 PHE A 57 -3.789 -18.781 8.107 1.00 21.23 H new ATOM 0 HE1 PHE A 57 -6.233 -17.871 12.277 1.00 12.13 H new ATOM 0 HE2 PHE A 57 -2.726 -19.236 10.276 1.00 41.22 H new ATOM 0 HZ PHE A 57 -3.948 -18.784 12.365 1.00 71.22 H new ATOM 857 N ILE A 58 -6.163 -16.790 4.762 1.00 4.00 N ATOM 858 CA ILE A 58 -6.703 -16.695 3.412 1.00 52.33 C ATOM 859 C ILE A 58 -7.104 -18.067 2.882 1.00 65.42 C ATOM 860 O ILE A 58 -6.252 -18.864 2.488 1.00 1.50 O ATOM 861 CB ILE A 58 -5.689 -16.059 2.443 1.00 51.52 C ATOM 862 CG1 ILE A 58 -5.583 -14.554 2.697 1.00 4.43 C ATOM 863 CG2 ILE A 58 -6.092 -16.330 1.001 1.00 22.21 C ATOM 864 CD1 ILE A 58 -4.630 -13.848 1.758 1.00 53.24 C ATOM 0 H ILE A 58 -5.324 -17.365 4.841 1.00 4.00 H new ATOM 0 HA ILE A 58 -7.586 -16.059 3.470 1.00 52.33 H new ATOM 0 HB ILE A 58 -4.711 -16.508 2.618 1.00 51.52 H new ATOM 0 HG12 ILE A 58 -6.572 -14.107 2.601 1.00 4.43 H new ATOM 0 HG13 ILE A 58 -5.257 -14.389 3.724 1.00 4.43 H new ATOM 0 HG21 ILE A 58 -5.366 -15.874 0.328 1.00 22.21 H new ATOM 0 HG22 ILE A 58 -6.122 -17.406 0.828 1.00 22.21 H new ATOM 0 HG23 ILE A 58 -7.078 -15.905 0.813 1.00 22.21 H new ATOM 0 HD11 ILE A 58 -4.605 -12.785 1.996 1.00 53.24 H new ATOM 0 HD12 ILE A 58 -3.631 -14.268 1.870 1.00 53.24 H new ATOM 0 HD13 ILE A 58 -4.966 -13.982 0.730 1.00 53.24 H new ATOM 876 N GLU A 59 -8.405 -18.336 2.874 1.00 74.13 N ATOM 877 CA GLU A 59 -8.918 -19.613 2.391 1.00 53.24 C ATOM 878 C GLU A 59 -8.928 -19.653 0.865 1.00 24.32 C ATOM 879 O GLU A 59 -8.683 -18.643 0.206 1.00 20.33 O ATOM 880 CB GLU A 59 -10.331 -19.856 2.927 1.00 65.21 C ATOM 881 CG GLU A 59 -10.485 -19.534 4.404 1.00 63.12 C ATOM 882 CD GLU A 59 -11.847 -19.921 4.946 1.00 1.11 C ATOM 883 OE1 GLU A 59 -12.789 -19.111 4.815 1.00 62.45 O ATOM 884 OE2 GLU A 59 -11.971 -21.032 5.502 1.00 31.11 O ATOM 0 H GLU A 59 -9.123 -17.687 3.196 1.00 74.13 H new ATOM 0 HA GLU A 59 -8.258 -20.401 2.754 1.00 53.24 H new ATOM 0 HB2 GLU A 59 -11.036 -19.251 2.356 1.00 65.21 H new ATOM 0 HB3 GLU A 59 -10.599 -20.899 2.761 1.00 65.21 H new ATOM 0 HG2 GLU A 59 -9.712 -20.055 4.968 1.00 63.12 H new ATOM 0 HG3 GLU A 59 -10.327 -18.467 4.558 1.00 63.12 H new ATOM 891 N GLU A 60 -9.211 -20.828 0.312 1.00 73.41 N ATOM 892 CA GLU A 60 -9.251 -21.001 -1.135 1.00 40.35 C ATOM 893 C GLU A 60 -10.158 -19.958 -1.783 1.00 22.11 C ATOM 894 O GLU A 60 -9.999 -19.626 -2.957 1.00 61.41 O ATOM 895 CB GLU A 60 -9.738 -22.407 -1.491 1.00 22.23 C ATOM 896 CG GLU A 60 -9.467 -22.799 -2.934 1.00 1.43 C ATOM 897 CD GLU A 60 -10.654 -22.541 -3.841 1.00 34.02 C ATOM 898 OE1 GLU A 60 -11.783 -22.919 -3.463 1.00 51.42 O ATOM 899 OE2 GLU A 60 -10.454 -21.961 -4.929 1.00 32.13 O ATOM 0 H GLU A 60 -9.416 -21.674 0.844 1.00 73.41 H new ATOM 0 HA GLU A 60 -8.239 -20.867 -1.518 1.00 40.35 H new ATOM 0 HB2 GLU A 60 -9.255 -23.127 -0.831 1.00 22.23 H new ATOM 0 HB3 GLU A 60 -10.810 -22.470 -1.302 1.00 22.23 H new ATOM 0 HG2 GLU A 60 -8.605 -22.242 -3.302 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -9.205 -23.856 -2.976 1.00 1.43 H new ATOM 906 N GLU A 61 -11.109 -19.446 -1.008 1.00 20.43 N ATOM 907 CA GLU A 61 -12.042 -18.443 -1.506 1.00 50.22 C ATOM 908 C GLU A 61 -11.311 -17.153 -1.868 1.00 74.05 C ATOM 909 O GLU A 61 -11.520 -16.591 -2.943 1.00 11.11 O ATOM 910 CB GLU A 61 -13.121 -18.154 -0.461 1.00 35.12 C ATOM 911 CG GLU A 61 -13.782 -19.405 0.094 1.00 70.15 C ATOM 912 CD GLU A 61 -14.309 -20.318 -0.996 1.00 73.22 C ATOM 913 OE1 GLU A 61 -15.393 -20.026 -1.543 1.00 41.23 O ATOM 914 OE2 GLU A 61 -13.637 -21.326 -1.302 1.00 12.41 O ATOM 0 H GLU A 61 -11.253 -19.709 -0.033 1.00 20.43 H new ATOM 0 HA GLU A 61 -12.514 -18.838 -2.405 1.00 50.22 H new ATOM 0 HB2 GLU A 61 -12.677 -17.592 0.361 1.00 35.12 H new ATOM 0 HB3 GLU A 61 -13.885 -17.517 -0.907 1.00 35.12 H new ATOM 0 HG2 GLU A 61 -13.063 -19.951 0.704 1.00 70.15 H new ATOM 0 HG3 GLU A 61 -14.603 -19.117 0.750 1.00 70.15 H new ATOM 921 N GLU A 62 -10.455 -16.691 -0.963 1.00 41.40 N ATOM 922 CA GLU A 62 -9.695 -15.467 -1.187 1.00 3.52 C ATOM 923 C GLU A 62 -8.383 -15.765 -1.908 1.00 13.31 C ATOM 924 O GLU A 62 -7.670 -14.852 -2.326 1.00 2.31 O ATOM 925 CB GLU A 62 -9.410 -14.766 0.144 1.00 71.25 C ATOM 926 CG GLU A 62 -10.272 -13.538 0.381 1.00 12.24 C ATOM 927 CD GLU A 62 -11.713 -13.889 0.700 1.00 44.22 C ATOM 928 OE1 GLU A 62 -11.952 -14.509 1.757 1.00 4.13 O ATOM 929 OE2 GLU A 62 -12.600 -13.544 -0.108 1.00 34.03 O ATOM 0 H GLU A 62 -10.270 -17.145 -0.069 1.00 41.40 H new ATOM 0 HA GLU A 62 -10.294 -14.808 -1.816 1.00 3.52 H new ATOM 0 HB2 GLU A 62 -9.568 -15.473 0.959 1.00 71.25 H new ATOM 0 HB3 GLU A 62 -8.360 -14.474 0.174 1.00 71.25 H new ATOM 0 HG2 GLU A 62 -9.853 -12.958 1.203 1.00 12.24 H new ATOM 0 HG3 GLU A 62 -10.244 -12.903 -0.504 1.00 12.24 H new ATOM 936 N LEU A 63 -8.072 -17.048 -2.050 1.00 24.35 N ATOM 937 CA LEU A 63 -6.846 -17.469 -2.720 1.00 2.55 C ATOM 938 C LEU A 63 -6.994 -17.374 -4.235 1.00 24.12 C ATOM 939 O LEU A 63 -6.011 -17.191 -4.953 1.00 31.41 O ATOM 940 CB LEU A 63 -6.488 -18.901 -2.319 1.00 4.31 C ATOM 941 CG LEU A 63 -5.001 -19.256 -2.355 1.00 42.21 C ATOM 942 CD1 LEU A 63 -4.243 -18.491 -1.281 1.00 31.22 C ATOM 943 CD2 LEU A 63 -4.806 -20.755 -2.183 1.00 32.23 C ATOM 0 H LEU A 63 -8.652 -17.816 -1.710 1.00 24.35 H new ATOM 0 HA LEU A 63 -6.043 -16.801 -2.409 1.00 2.55 H new ATOM 0 HB2 LEU A 63 -6.859 -19.078 -1.309 1.00 4.31 H new ATOM 0 HB3 LEU A 63 -7.021 -19.586 -2.979 1.00 4.31 H new ATOM 0 HG LEU A 63 -4.602 -18.967 -3.327 1.00 42.21 H new ATOM 0 HD11 LEU A 63 -3.187 -18.757 -1.322 1.00 31.22 H new ATOM 0 HD12 LEU A 63 -4.355 -17.420 -1.450 1.00 31.22 H new ATOM 0 HD13 LEU A 63 -4.644 -18.747 -0.300 1.00 31.22 H new ATOM 0 HD21 LEU A 63 -3.742 -20.989 -2.211 1.00 32.23 H new ATOM 0 HD22 LEU A 63 -5.221 -21.068 -1.225 1.00 32.23 H new ATOM 0 HD23 LEU A 63 -5.315 -21.283 -2.989 1.00 32.23 H new ATOM 955 N GLN A 64 -8.228 -17.498 -4.713 1.00 4.33 N ATOM 956 CA GLN A 64 -8.503 -17.425 -6.143 1.00 13.44 C ATOM 957 C GLN A 64 -8.275 -16.012 -6.669 1.00 53.34 C ATOM 958 O GLN A 64 -8.378 -15.762 -7.871 1.00 41.32 O ATOM 959 CB GLN A 64 -9.941 -17.863 -6.429 1.00 44.23 C ATOM 960 CG GLN A 64 -10.979 -16.807 -6.084 1.00 63.42 C ATOM 961 CD GLN A 64 -12.398 -17.334 -6.173 1.00 3.44 C ATOM 962 OE1 GLN A 64 -12.725 -17.969 -7.292 1.00 15.45 O flip ATOM 963 NE2 GLN A 64 -13.191 -17.171 -5.246 1.00 20.24 N flip ATOM 0 H GLN A 64 -9.052 -17.649 -4.132 1.00 4.33 H new ATOM 0 HA GLN A 64 -7.816 -18.099 -6.655 1.00 13.44 H new ATOM 0 HB2 GLN A 64 -10.031 -18.118 -7.485 1.00 44.23 H new ATOM 0 HB3 GLN A 64 -10.155 -18.770 -5.863 1.00 44.23 H new ATOM 0 HG2 GLN A 64 -10.795 -16.438 -5.075 1.00 63.42 H new ATOM 0 HG3 GLN A 64 -10.867 -15.959 -6.759 1.00 63.42 H new ATOM 0 HE21 GLN A 64 -12.896 -16.677 -4.404 1.00 20.24 H new ATOM 0 HE22 GLN A 64 -14.143 -17.530 -5.320 1.00 20.24 H new ATOM 972 N LEU A 65 -7.966 -15.091 -5.763 1.00 41.35 N ATOM 973 CA LEU A 65 -7.723 -13.701 -6.137 1.00 33.53 C ATOM 974 C LEU A 65 -6.230 -13.391 -6.140 1.00 21.32 C ATOM 975 O LEU A 65 -5.827 -12.228 -6.124 1.00 23.03 O ATOM 976 CB LEU A 65 -8.449 -12.760 -5.174 1.00 54.03 C ATOM 977 CG LEU A 65 -9.824 -13.224 -4.690 1.00 43.04 C ATOM 978 CD1 LEU A 65 -10.306 -12.354 -3.540 1.00 73.01 C ATOM 979 CD2 LEU A 65 -10.827 -13.203 -5.834 1.00 61.44 C ATOM 0 H LEU A 65 -7.878 -15.281 -4.765 1.00 41.35 H new ATOM 0 HA LEU A 65 -8.109 -13.548 -7.145 1.00 33.53 H new ATOM 0 HB2 LEU A 65 -7.813 -12.603 -4.303 1.00 54.03 H new ATOM 0 HB3 LEU A 65 -8.565 -11.792 -5.662 1.00 54.03 H new ATOM 0 HG LEU A 65 -9.735 -14.249 -4.330 1.00 43.04 H new ATOM 0 HD11 LEU A 65 -11.286 -12.699 -3.209 1.00 73.01 H new ATOM 0 HD12 LEU A 65 -9.599 -12.420 -2.713 1.00 73.01 H new ATOM 0 HD13 LEU A 65 -10.379 -11.319 -3.873 1.00 73.01 H new ATOM 0 HD21 LEU A 65 -11.799 -13.536 -5.471 1.00 61.44 H new ATOM 0 HD22 LEU A 65 -10.913 -12.189 -6.224 1.00 61.44 H new ATOM 0 HD23 LEU A 65 -10.488 -13.869 -6.627 1.00 61.44 H new ATOM 991 N PHE A 66 -5.413 -14.439 -6.163 1.00 32.34 N ATOM 992 CA PHE A 66 -3.964 -14.279 -6.169 1.00 63.13 C ATOM 993 C PHE A 66 -3.498 -13.599 -7.453 1.00 43.22 C ATOM 994 O PHE A 66 -2.465 -12.928 -7.475 1.00 24.35 O ATOM 995 CB PHE A 66 -3.278 -15.639 -6.022 1.00 33.13 C ATOM 996 CG PHE A 66 -1.779 -15.560 -6.043 1.00 44.04 C ATOM 997 CD1 PHE A 66 -1.074 -15.198 -4.907 1.00 31.04 C ATOM 998 CD2 PHE A 66 -1.073 -15.847 -7.201 1.00 73.11 C ATOM 999 CE1 PHE A 66 0.306 -15.125 -4.923 1.00 41.41 C ATOM 1000 CE2 PHE A 66 0.307 -15.776 -7.223 1.00 52.14 C ATOM 1001 CZ PHE A 66 0.997 -15.413 -6.084 1.00 2.05 C ATOM 0 H PHE A 66 -5.730 -15.408 -6.178 1.00 32.34 H new ATOM 0 HA PHE A 66 -3.690 -13.648 -5.323 1.00 63.13 H new ATOM 0 HB2 PHE A 66 -3.596 -16.098 -5.086 1.00 33.13 H new ATOM 0 HB3 PHE A 66 -3.611 -16.294 -6.828 1.00 33.13 H new ATOM 0 HD1 PHE A 66 -1.609 -14.970 -3.997 1.00 31.04 H new ATOM 0 HD2 PHE A 66 -1.607 -16.129 -8.096 1.00 73.11 H new ATOM 0 HE1 PHE A 66 0.843 -14.843 -4.029 1.00 41.41 H new ATOM 0 HE2 PHE A 66 0.845 -16.004 -8.131 1.00 52.14 H new ATOM 0 HZ PHE A 66 2.075 -15.354 -6.100 1.00 2.05 H new ATOM 1011 N LEU A 67 -4.266 -13.777 -8.522 1.00 51.42 N ATOM 1012 CA LEU A 67 -3.933 -13.181 -9.811 1.00 50.25 C ATOM 1013 C LEU A 67 -4.365 -11.719 -9.864 1.00 11.12 C ATOM 1014 O LEU A 67 -4.163 -11.036 -10.868 1.00 5.32 O ATOM 1015 CB LEU A 67 -4.600 -13.963 -10.944 1.00 54.43 C ATOM 1016 CG LEU A 67 -3.789 -15.118 -11.532 1.00 1.24 C ATOM 1017 CD1 LEU A 67 -4.639 -15.933 -12.493 1.00 74.03 C ATOM 1018 CD2 LEU A 67 -2.544 -14.593 -12.231 1.00 64.24 C ATOM 0 H LEU A 67 -5.124 -14.329 -8.522 1.00 51.42 H new ATOM 0 HA LEU A 67 -2.851 -13.225 -9.935 1.00 50.25 H new ATOM 0 HB2 LEU A 67 -5.546 -14.360 -10.576 1.00 54.43 H new ATOM 0 HB3 LEU A 67 -4.838 -13.267 -11.748 1.00 54.43 H new ATOM 0 HG LEU A 67 -3.476 -15.769 -10.716 1.00 1.24 H new ATOM 0 HD11 LEU A 67 -4.044 -16.750 -12.901 1.00 74.03 H new ATOM 0 HD12 LEU A 67 -5.499 -16.340 -11.962 1.00 74.03 H new ATOM 0 HD13 LEU A 67 -4.983 -15.294 -13.306 1.00 74.03 H new ATOM 0 HD21 LEU A 67 -1.979 -15.429 -12.644 1.00 64.24 H new ATOM 0 HD22 LEU A 67 -2.836 -13.919 -13.037 1.00 64.24 H new ATOM 0 HD23 LEU A 67 -1.924 -14.054 -11.514 1.00 64.24 H new ATOM 1030 N LYS A 68 -4.960 -11.244 -8.775 1.00 1.13 N ATOM 1031 CA LYS A 68 -5.418 -9.862 -8.694 1.00 20.04 C ATOM 1032 C LYS A 68 -4.358 -8.975 -8.049 1.00 11.51 C ATOM 1033 O LYS A 68 -4.396 -7.752 -8.180 1.00 43.10 O ATOM 1034 CB LYS A 68 -6.721 -9.781 -7.895 1.00 21.01 C ATOM 1035 CG LYS A 68 -7.776 -10.774 -8.350 1.00 71.22 C ATOM 1036 CD LYS A 68 -8.280 -10.451 -9.747 1.00 34.14 C ATOM 1037 CE LYS A 68 -9.758 -10.092 -9.736 1.00 74.23 C ATOM 1038 NZ LYS A 68 -9.971 -8.618 -9.725 1.00 33.45 N ATOM 0 H LYS A 68 -5.136 -11.796 -7.936 1.00 1.13 H new ATOM 0 HA LYS A 68 -5.598 -9.505 -9.708 1.00 20.04 H new ATOM 0 HB2 LYS A 68 -6.502 -9.953 -6.841 1.00 21.01 H new ATOM 0 HB3 LYS A 68 -7.125 -8.772 -7.976 1.00 21.01 H new ATOM 0 HG2 LYS A 68 -7.359 -11.781 -8.336 1.00 71.22 H new ATOM 0 HG3 LYS A 68 -8.611 -10.765 -7.650 1.00 71.22 H new ATOM 0 HD2 LYS A 68 -7.706 -9.621 -10.160 1.00 34.14 H new ATOM 0 HD3 LYS A 68 -8.117 -11.308 -10.401 1.00 34.14 H new ATOM 0 HE2 LYS A 68 -10.243 -10.522 -10.612 1.00 74.23 H new ATOM 0 HE3 LYS A 68 -10.233 -10.534 -8.860 1.00 74.23 H new ATOM 0 HZ1 LYS A 68 -10.991 -8.415 -9.718 1.00 33.45 H new ATOM 0 HZ2 LYS A 68 -9.531 -8.210 -8.876 1.00 33.45 H new ATOM 0 HZ3 LYS A 68 -9.541 -8.199 -10.574 1.00 33.45 H new ATOM 1052 N ASN A 69 -3.413 -9.599 -7.353 1.00 51.14 N ATOM 1053 CA ASN A 69 -2.342 -8.865 -6.689 1.00 51.02 C ATOM 1054 C ASN A 69 -1.213 -8.549 -7.665 1.00 24.21 C ATOM 1055 O ASN A 69 -0.423 -7.631 -7.441 1.00 60.44 O ATOM 1056 CB ASN A 69 -1.800 -9.671 -5.507 1.00 63.44 C ATOM 1057 CG ASN A 69 -2.863 -10.541 -4.864 1.00 41.50 C ATOM 1058 OD1 ASN A 69 -2.479 -11.748 -4.468 1.00 33.30 O flip ATOM 1059 ND2 ASN A 69 -4.015 -10.130 -4.725 1.00 33.53 N flip ATOM 0 H ASN A 69 -3.367 -10.611 -7.234 1.00 51.14 H new ATOM 0 HA ASN A 69 -2.753 -7.925 -6.321 1.00 51.02 H new ATOM 0 HB2 ASN A 69 -0.977 -10.299 -5.846 1.00 63.44 H new ATOM 0 HB3 ASN A 69 -1.393 -8.988 -4.761 1.00 63.44 H new ATOM 0 HD21 ASN A 69 -4.265 -9.194 -5.045 1.00 33.53 H new ATOM 0 HD22 ASN A 69 -4.720 -10.725 -4.290 1.00 33.53 H new ATOM 1066 N PHE A 70 -1.142 -9.316 -8.748 1.00 53.32 N ATOM 1067 CA PHE A 70 -0.110 -9.118 -9.759 1.00 25.53 C ATOM 1068 C PHE A 70 -0.696 -8.493 -11.021 1.00 20.01 C ATOM 1069 O PHE A 70 -0.218 -7.463 -11.496 1.00 61.00 O ATOM 1070 CB PHE A 70 0.561 -10.451 -10.100 1.00 52.12 C ATOM 1071 CG PHE A 70 1.334 -11.043 -8.957 1.00 22.20 C ATOM 1072 CD1 PHE A 70 0.677 -11.665 -7.907 1.00 43.32 C ATOM 1073 CD2 PHE A 70 2.718 -10.979 -8.932 1.00 60.04 C ATOM 1074 CE1 PHE A 70 1.387 -12.210 -6.854 1.00 13.23 C ATOM 1075 CE2 PHE A 70 3.433 -11.523 -7.882 1.00 12.33 C ATOM 1076 CZ PHE A 70 2.766 -12.140 -6.841 1.00 41.15 C ATOM 0 H PHE A 70 -1.787 -10.080 -8.948 1.00 53.32 H new ATOM 0 HA PHE A 70 0.637 -8.436 -9.351 1.00 25.53 H new ATOM 0 HB2 PHE A 70 -0.202 -11.161 -10.419 1.00 52.12 H new ATOM 0 HB3 PHE A 70 1.233 -10.304 -10.945 1.00 52.12 H new ATOM 0 HD1 PHE A 70 -0.401 -11.724 -7.912 1.00 43.32 H new ATOM 0 HD2 PHE A 70 3.244 -10.498 -9.743 1.00 60.04 H new ATOM 0 HE1 PHE A 70 0.863 -12.691 -6.041 1.00 13.23 H new ATOM 0 HE2 PHE A 70 4.511 -11.466 -7.875 1.00 12.33 H new ATOM 0 HZ PHE A 70 3.322 -12.566 -6.019 1.00 41.15 H new ATOM 1086 N SER A 71 -1.735 -9.124 -11.559 1.00 63.12 N ATOM 1087 CA SER A 71 -2.384 -8.633 -12.769 1.00 15.13 C ATOM 1088 C SER A 71 -3.804 -8.161 -12.469 1.00 41.52 C ATOM 1089 O SER A 71 -4.382 -8.510 -11.440 1.00 73.34 O ATOM 1090 CB SER A 71 -2.414 -9.727 -13.837 1.00 62.25 C ATOM 1091 OG SER A 71 -2.312 -9.173 -15.138 1.00 3.03 O ATOM 0 H SER A 71 -2.145 -9.976 -11.176 1.00 63.12 H new ATOM 0 HA SER A 71 -1.808 -7.786 -13.143 1.00 15.13 H new ATOM 0 HB2 SER A 71 -1.594 -10.425 -13.670 1.00 62.25 H new ATOM 0 HB3 SER A 71 -3.339 -10.297 -13.752 1.00 62.25 H new ATOM 0 HG SER A 71 -2.332 -9.893 -15.803 1.00 3.03 H new ATOM 1097 N SER A 72 -4.359 -7.363 -13.376 1.00 72.12 N ATOM 1098 CA SER A 72 -5.709 -6.839 -13.209 1.00 14.43 C ATOM 1099 C SER A 72 -6.630 -7.344 -14.316 1.00 22.25 C ATOM 1100 O SER A 72 -7.744 -6.850 -14.485 1.00 53.03 O ATOM 1101 CB SER A 72 -5.688 -5.309 -13.206 1.00 54.13 C ATOM 1102 OG SER A 72 -4.548 -4.816 -12.526 1.00 4.43 O ATOM 0 H SER A 72 -3.894 -7.065 -14.234 1.00 72.12 H new ATOM 0 HA SER A 72 -6.093 -7.192 -12.252 1.00 14.43 H new ATOM 0 HB2 SER A 72 -5.691 -4.940 -14.232 1.00 54.13 H new ATOM 0 HB3 SER A 72 -6.592 -4.931 -12.729 1.00 54.13 H new ATOM 0 HG SER A 72 -4.557 -3.836 -12.540 1.00 4.43 H new ATOM 1108 N SER A 73 -6.155 -8.333 -15.066 1.00 45.22 N ATOM 1109 CA SER A 73 -6.932 -8.904 -16.160 1.00 1.13 C ATOM 1110 C SER A 73 -7.424 -10.303 -15.803 1.00 72.33 C ATOM 1111 O SER A 73 -8.550 -10.679 -16.130 1.00 23.13 O ATOM 1112 CB SER A 73 -6.092 -8.956 -17.437 1.00 72.44 C ATOM 1113 OG SER A 73 -6.904 -9.210 -18.571 1.00 42.21 O ATOM 0 H SER A 73 -5.236 -8.756 -14.936 1.00 45.22 H new ATOM 0 HA SER A 73 -7.799 -8.265 -16.330 1.00 1.13 H new ATOM 0 HB2 SER A 73 -5.564 -8.011 -17.568 1.00 72.44 H new ATOM 0 HB3 SER A 73 -5.334 -9.734 -17.346 1.00 72.44 H new ATOM 0 HG SER A 73 -6.344 -9.237 -19.375 1.00 42.21 H new ATOM 1119 N ALA A 74 -6.572 -11.070 -15.131 1.00 61.22 N ATOM 1120 CA ALA A 74 -6.919 -12.427 -14.728 1.00 75.22 C ATOM 1121 C ALA A 74 -8.024 -12.422 -13.677 1.00 1.43 C ATOM 1122 O ALA A 74 -7.795 -12.054 -12.524 1.00 50.44 O ATOM 1123 CB ALA A 74 -5.690 -13.153 -14.201 1.00 51.53 C ATOM 0 H ALA A 74 -5.636 -10.774 -14.854 1.00 61.22 H new ATOM 0 HA ALA A 74 -7.290 -12.956 -15.606 1.00 75.22 H new ATOM 0 HB1 ALA A 74 -5.965 -14.165 -13.904 1.00 51.53 H new ATOM 0 HB2 ALA A 74 -4.931 -13.198 -14.982 1.00 51.53 H new ATOM 0 HB3 ALA A 74 -5.293 -12.617 -13.339 1.00 51.53 H new ATOM 1129 N ARG A 75 -9.222 -12.831 -14.081 1.00 62.13 N ATOM 1130 CA ARG A 75 -10.362 -12.871 -13.174 1.00 32.31 C ATOM 1131 C ARG A 75 -9.972 -13.495 -11.837 1.00 62.33 C ATOM 1132 O ARG A 75 -9.821 -12.797 -10.835 1.00 22.04 O ATOM 1133 CB ARG A 75 -11.512 -13.661 -13.801 1.00 35.10 C ATOM 1134 CG ARG A 75 -11.055 -14.732 -14.778 1.00 3.22 C ATOM 1135 CD ARG A 75 -11.955 -15.956 -14.725 1.00 33.03 C ATOM 1136 NE ARG A 75 -11.214 -17.191 -14.964 1.00 72.43 N ATOM 1137 CZ ARG A 75 -11.788 -18.385 -15.065 1.00 74.04 C ATOM 1138 NH1 ARG A 75 -13.104 -18.504 -14.949 1.00 2.42 N ATOM 1139 NH2 ARG A 75 -11.046 -19.463 -15.284 1.00 74.12 N ATOM 0 H ARG A 75 -9.428 -13.139 -15.031 1.00 62.13 H new ATOM 0 HA ARG A 75 -10.688 -11.846 -12.996 1.00 32.31 H new ATOM 0 HB2 ARG A 75 -12.094 -14.130 -13.008 1.00 35.10 H new ATOM 0 HB3 ARG A 75 -12.177 -12.969 -14.318 1.00 35.10 H new ATOM 0 HG2 ARG A 75 -11.051 -14.325 -15.789 1.00 3.22 H new ATOM 0 HG3 ARG A 75 -10.030 -15.023 -14.548 1.00 3.22 H new ATOM 0 HD2 ARG A 75 -12.440 -16.007 -13.750 1.00 33.03 H new ATOM 0 HD3 ARG A 75 -12.745 -15.857 -15.469 1.00 33.03 H new ATOM 0 HE ARG A 75 -10.200 -17.134 -15.059 1.00 72.43 H new ATOM 0 HH11 ARG A 75 -13.678 -17.678 -14.782 1.00 2.42 H new ATOM 0 HH12 ARG A 75 -13.542 -19.422 -15.027 1.00 2.42 H new ATOM 0 HH21 ARG A 75 -10.034 -19.376 -15.375 1.00 74.12 H new ATOM 0 HH22 ARG A 75 -11.488 -20.379 -15.361 1.00 74.12 H new ATOM 1153 N VAL A 76 -9.810 -14.815 -11.831 1.00 13.33 N ATOM 1154 CA VAL A 76 -9.437 -15.533 -10.618 1.00 70.11 C ATOM 1155 C VAL A 76 -8.737 -16.846 -10.951 1.00 5.33 C ATOM 1156 O VAL A 76 -8.851 -17.358 -12.065 1.00 30.52 O ATOM 1157 CB VAL A 76 -10.667 -15.829 -9.740 1.00 12.34 C ATOM 1158 CG1 VAL A 76 -11.079 -14.588 -8.962 1.00 5.03 C ATOM 1159 CG2 VAL A 76 -11.819 -16.340 -10.591 1.00 71.15 C ATOM 0 H VAL A 76 -9.931 -15.408 -12.652 1.00 13.33 H new ATOM 0 HA VAL A 76 -8.753 -14.888 -10.066 1.00 70.11 H new ATOM 0 HB VAL A 76 -10.401 -16.607 -9.024 1.00 12.34 H new ATOM 0 HG11 VAL A 76 -11.950 -14.816 -8.347 1.00 5.03 H new ATOM 0 HG12 VAL A 76 -10.256 -14.270 -8.322 1.00 5.03 H new ATOM 0 HG13 VAL A 76 -11.327 -13.787 -9.659 1.00 5.03 H new ATOM 0 HG21 VAL A 76 -12.680 -16.544 -9.954 1.00 71.15 H new ATOM 0 HG22 VAL A 76 -12.086 -15.586 -11.332 1.00 71.15 H new ATOM 0 HG23 VAL A 76 -11.518 -17.257 -11.098 1.00 71.15 H new ATOM 1169 N LEU A 77 -8.011 -17.386 -9.978 1.00 12.24 N ATOM 1170 CA LEU A 77 -7.291 -18.641 -10.166 1.00 14.40 C ATOM 1171 C LEU A 77 -8.215 -19.721 -10.719 1.00 54.44 C ATOM 1172 O LEU A 77 -9.437 -19.567 -10.721 1.00 34.55 O ATOM 1173 CB LEU A 77 -6.681 -19.105 -8.843 1.00 2.25 C ATOM 1174 CG LEU A 77 -5.734 -18.119 -8.158 1.00 2.33 C ATOM 1175 CD1 LEU A 77 -4.883 -18.831 -7.118 1.00 1.44 C ATOM 1176 CD2 LEU A 77 -4.853 -17.424 -9.186 1.00 24.13 C ATOM 0 H LEU A 77 -7.905 -16.974 -9.051 1.00 12.24 H new ATOM 0 HA LEU A 77 -6.492 -18.468 -10.887 1.00 14.40 H new ATOM 0 HB2 LEU A 77 -7.493 -19.337 -8.153 1.00 2.25 H new ATOM 0 HB3 LEU A 77 -6.139 -20.034 -9.022 1.00 2.25 H new ATOM 0 HG LEU A 77 -6.333 -17.362 -7.651 1.00 2.33 H new ATOM 0 HD11 LEU A 77 -4.215 -18.113 -6.641 1.00 1.44 H new ATOM 0 HD12 LEU A 77 -5.530 -19.281 -6.365 1.00 1.44 H new ATOM 0 HD13 LEU A 77 -4.293 -19.610 -7.602 1.00 1.44 H new ATOM 0 HD21 LEU A 77 -4.186 -16.726 -8.681 1.00 24.13 H new ATOM 0 HD22 LEU A 77 -4.263 -18.168 -9.721 1.00 24.13 H new ATOM 0 HD23 LEU A 77 -5.479 -16.880 -9.893 1.00 24.13 H new ATOM 1188 N THR A 78 -7.624 -20.815 -11.188 1.00 60.21 N ATOM 1189 CA THR A 78 -8.393 -21.922 -11.743 1.00 53.41 C ATOM 1190 C THR A 78 -7.986 -23.247 -11.110 1.00 3.11 C ATOM 1191 O THR A 78 -7.279 -23.273 -10.102 1.00 74.01 O ATOM 1192 CB THR A 78 -8.216 -22.019 -13.270 1.00 64.11 C ATOM 1193 OG1 THR A 78 -9.234 -22.856 -13.829 1.00 52.24 O ATOM 1194 CG2 THR A 78 -6.845 -22.577 -13.621 1.00 24.12 C ATOM 0 H THR A 78 -6.614 -20.958 -11.195 1.00 60.21 H new ATOM 0 HA THR A 78 -9.441 -21.723 -11.518 1.00 53.41 H new ATOM 0 HB THR A 78 -8.301 -21.016 -13.688 1.00 64.11 H new ATOM 0 HG1 THR A 78 -9.115 -22.911 -14.800 1.00 52.24 H new ATOM 0 HG21 THR A 78 -6.743 -22.636 -14.705 1.00 24.12 H new ATOM 0 HG22 THR A 78 -6.072 -21.922 -13.219 1.00 24.12 H new ATOM 0 HG23 THR A 78 -6.737 -23.573 -13.191 1.00 24.12 H new ATOM 1202 N SER A 79 -8.435 -24.346 -11.708 1.00 3.04 N ATOM 1203 CA SER A 79 -8.119 -25.676 -11.200 1.00 2.24 C ATOM 1204 C SER A 79 -6.674 -26.050 -11.517 1.00 51.40 C ATOM 1205 O SER A 79 -6.414 -27.027 -12.218 1.00 50.23 O ATOM 1206 CB SER A 79 -9.070 -26.713 -11.800 1.00 24.32 C ATOM 1207 OG SER A 79 -9.214 -27.830 -10.940 1.00 33.22 O ATOM 0 H SER A 79 -9.019 -24.342 -12.545 1.00 3.04 H new ATOM 0 HA SER A 79 -8.243 -25.663 -10.117 1.00 2.24 H new ATOM 0 HB2 SER A 79 -10.045 -26.258 -11.977 1.00 24.32 H new ATOM 0 HB3 SER A 79 -8.691 -27.042 -12.768 1.00 24.32 H new ATOM 0 HG SER A 79 -9.828 -28.478 -11.345 1.00 33.22 H new ATOM 1213 N ALA A 80 -5.738 -25.264 -10.995 1.00 40.32 N ATOM 1214 CA ALA A 80 -4.319 -25.512 -11.220 1.00 74.14 C ATOM 1215 C ALA A 80 -3.461 -24.453 -10.536 1.00 73.42 C ATOM 1216 O ALA A 80 -2.395 -24.757 -10.002 1.00 14.35 O ATOM 1217 CB ALA A 80 -4.021 -25.553 -12.712 1.00 11.01 C ATOM 0 H ALA A 80 -5.937 -24.450 -10.413 1.00 40.32 H new ATOM 0 HA ALA A 80 -4.071 -26.480 -10.784 1.00 74.14 H new ATOM 0 HB1 ALA A 80 -2.958 -25.739 -12.866 1.00 11.01 H new ATOM 0 HB2 ALA A 80 -4.600 -26.351 -13.177 1.00 11.01 H new ATOM 0 HB3 ALA A 80 -4.291 -24.598 -13.163 1.00 11.01 H new ATOM 1223 N GLU A 81 -3.933 -23.211 -10.558 1.00 14.21 N ATOM 1224 CA GLU A 81 -3.207 -22.108 -9.940 1.00 41.44 C ATOM 1225 C GLU A 81 -3.459 -22.065 -8.436 1.00 4.02 C ATOM 1226 O GLU A 81 -2.525 -21.949 -7.641 1.00 60.40 O ATOM 1227 CB GLU A 81 -3.619 -20.778 -10.575 1.00 42.32 C ATOM 1228 CG GLU A 81 -3.412 -20.732 -12.080 1.00 1.42 C ATOM 1229 CD GLU A 81 -3.344 -19.315 -12.616 1.00 54.13 C ATOM 1230 OE1 GLU A 81 -2.433 -18.567 -12.205 1.00 50.01 O ATOM 1231 OE2 GLU A 81 -4.204 -18.955 -13.448 1.00 44.40 O ATOM 0 H GLU A 81 -4.814 -22.943 -10.997 1.00 14.21 H new ATOM 0 HA GLU A 81 -2.142 -22.269 -10.108 1.00 41.44 H new ATOM 0 HB2 GLU A 81 -4.670 -20.590 -10.355 1.00 42.32 H new ATOM 0 HB3 GLU A 81 -3.048 -19.972 -10.113 1.00 42.32 H new ATOM 0 HG2 GLU A 81 -2.491 -21.257 -12.333 1.00 1.42 H new ATOM 0 HG3 GLU A 81 -4.227 -21.264 -12.572 1.00 1.42 H new ATOM 1238 N THR A 82 -4.728 -22.159 -8.051 1.00 43.40 N ATOM 1239 CA THR A 82 -5.104 -22.129 -6.643 1.00 63.23 C ATOM 1240 C THR A 82 -4.630 -23.385 -5.921 1.00 72.53 C ATOM 1241 O THR A 82 -4.264 -23.339 -4.747 1.00 13.43 O ATOM 1242 CB THR A 82 -6.629 -21.996 -6.472 1.00 23.22 C ATOM 1243 OG1 THR A 82 -7.234 -21.648 -7.722 1.00 42.10 O ATOM 1244 CG2 THR A 82 -6.966 -20.942 -5.428 1.00 70.12 C ATOM 0 H THR A 82 -5.513 -22.257 -8.695 1.00 43.40 H new ATOM 0 HA THR A 82 -4.619 -21.257 -6.204 1.00 63.23 H new ATOM 0 HB THR A 82 -7.020 -22.956 -6.135 1.00 23.22 H new ATOM 0 HG1 THR A 82 -8.204 -21.567 -7.605 1.00 42.10 H new ATOM 0 HG21 THR A 82 -8.048 -20.866 -5.324 1.00 70.12 H new ATOM 0 HG22 THR A 82 -6.529 -21.225 -4.471 1.00 70.12 H new ATOM 0 HG23 THR A 82 -6.563 -19.979 -5.740 1.00 70.12 H new ATOM 1252 N LYS A 83 -4.639 -24.509 -6.631 1.00 3.30 N ATOM 1253 CA LYS A 83 -4.208 -25.779 -6.059 1.00 51.00 C ATOM 1254 C LYS A 83 -2.692 -25.817 -5.897 1.00 42.43 C ATOM 1255 O LYS A 83 -2.180 -26.194 -4.844 1.00 1.43 O ATOM 1256 CB LYS A 83 -4.666 -26.941 -6.943 1.00 34.22 C ATOM 1257 CG LYS A 83 -6.161 -26.946 -7.215 1.00 44.45 C ATOM 1258 CD LYS A 83 -6.707 -28.361 -7.303 1.00 14.44 C ATOM 1259 CE LYS A 83 -8.227 -28.375 -7.245 1.00 73.30 C ATOM 1260 NZ LYS A 83 -8.787 -29.675 -7.707 1.00 73.42 N ATOM 0 H LYS A 83 -4.940 -24.566 -7.604 1.00 3.30 H new ATOM 0 HA LYS A 83 -4.663 -25.878 -5.074 1.00 51.00 H new ATOM 0 HB2 LYS A 83 -4.133 -26.896 -7.893 1.00 34.22 H new ATOM 0 HB3 LYS A 83 -4.389 -27.881 -6.466 1.00 34.22 H new ATOM 0 HG2 LYS A 83 -6.678 -26.404 -6.423 1.00 44.45 H new ATOM 0 HG3 LYS A 83 -6.364 -26.418 -8.147 1.00 44.45 H new ATOM 0 HD2 LYS A 83 -6.373 -28.824 -8.231 1.00 14.44 H new ATOM 0 HD3 LYS A 83 -6.305 -28.959 -6.485 1.00 14.44 H new ATOM 0 HE2 LYS A 83 -8.553 -28.181 -6.223 1.00 73.30 H new ATOM 0 HE3 LYS A 83 -8.622 -27.569 -7.864 1.00 73.30 H new ATOM 0 HZ1 LYS A 83 -9.825 -29.645 -7.653 1.00 73.42 H new ATOM 0 HZ2 LYS A 83 -8.497 -29.848 -8.691 1.00 73.42 H new ATOM 0 HZ3 LYS A 83 -8.431 -30.441 -7.101 1.00 73.42 H new ATOM 1274 N ALA A 84 -1.979 -25.422 -6.948 1.00 32.35 N ATOM 1275 CA ALA A 84 -0.522 -25.408 -6.920 1.00 40.11 C ATOM 1276 C ALA A 84 -0.001 -24.334 -5.971 1.00 34.24 C ATOM 1277 O ALA A 84 1.191 -24.282 -5.670 1.00 64.31 O ATOM 1278 CB ALA A 84 0.030 -25.189 -8.321 1.00 22.11 C ATOM 0 H ALA A 84 -2.387 -25.108 -7.828 1.00 32.35 H new ATOM 0 HA ALA A 84 -0.181 -26.376 -6.553 1.00 40.11 H new ATOM 0 HB1 ALA A 84 1.119 -25.181 -8.286 1.00 22.11 H new ATOM 0 HB2 ALA A 84 -0.306 -25.994 -8.974 1.00 22.11 H new ATOM 0 HB3 ALA A 84 -0.328 -24.235 -8.708 1.00 22.11 H new ATOM 1284 N PHE A 85 -0.903 -23.478 -5.502 1.00 11.04 N ATOM 1285 CA PHE A 85 -0.534 -22.404 -4.587 1.00 51.31 C ATOM 1286 C PHE A 85 -0.946 -22.741 -3.157 1.00 64.41 C ATOM 1287 O PHE A 85 -0.154 -22.608 -2.223 1.00 1.10 O ATOM 1288 CB PHE A 85 -1.187 -21.089 -5.021 1.00 23.43 C ATOM 1289 CG PHE A 85 -0.668 -19.890 -4.280 1.00 51.25 C ATOM 1290 CD1 PHE A 85 0.553 -19.328 -4.615 1.00 3.52 C ATOM 1291 CD2 PHE A 85 -1.402 -19.325 -3.250 1.00 2.22 C ATOM 1292 CE1 PHE A 85 1.033 -18.223 -3.936 1.00 23.31 C ATOM 1293 CE2 PHE A 85 -0.927 -18.220 -2.568 1.00 32.53 C ATOM 1294 CZ PHE A 85 0.292 -17.670 -2.910 1.00 44.23 C ATOM 0 H PHE A 85 -1.894 -23.507 -5.740 1.00 11.04 H new ATOM 0 HA PHE A 85 0.550 -22.292 -4.617 1.00 51.31 H new ATOM 0 HB2 PHE A 85 -1.022 -20.946 -6.089 1.00 23.43 H new ATOM 0 HB3 PHE A 85 -2.264 -21.161 -4.871 1.00 23.43 H new ATOM 0 HD1 PHE A 85 1.137 -19.758 -5.416 1.00 3.52 H new ATOM 0 HD2 PHE A 85 -2.356 -19.752 -2.977 1.00 2.22 H new ATOM 0 HE1 PHE A 85 1.986 -17.793 -4.208 1.00 23.31 H new ATOM 0 HE2 PHE A 85 -1.509 -17.787 -1.768 1.00 32.53 H new ATOM 0 HZ PHE A 85 0.666 -16.809 -2.376 1.00 44.23 H new ATOM 1304 N LEU A 86 -2.189 -23.179 -2.994 1.00 12.14 N ATOM 1305 CA LEU A 86 -2.708 -23.536 -1.678 1.00 1.24 C ATOM 1306 C LEU A 86 -1.991 -24.763 -1.124 1.00 72.44 C ATOM 1307 O LEU A 86 -1.456 -24.735 -0.017 1.00 23.02 O ATOM 1308 CB LEU A 86 -4.212 -23.801 -1.756 1.00 33.55 C ATOM 1309 CG LEU A 86 -5.000 -23.582 -0.464 1.00 34.44 C ATOM 1310 CD1 LEU A 86 -6.436 -23.190 -0.774 1.00 54.14 C ATOM 1311 CD2 LEU A 86 -4.963 -24.833 0.403 1.00 61.04 C ATOM 0 H LEU A 86 -2.857 -23.296 -3.756 1.00 12.14 H new ATOM 0 HA LEU A 86 -2.528 -22.698 -1.004 1.00 1.24 H new ATOM 0 HB2 LEU A 86 -4.634 -23.159 -2.529 1.00 33.55 H new ATOM 0 HB3 LEU A 86 -4.363 -24.831 -2.080 1.00 33.55 H new ATOM 0 HG LEU A 86 -4.533 -22.767 0.089 1.00 34.44 H new ATOM 0 HD11 LEU A 86 -6.981 -23.038 0.158 1.00 54.14 H new ATOM 0 HD12 LEU A 86 -6.444 -22.267 -1.353 1.00 54.14 H new ATOM 0 HD13 LEU A 86 -6.914 -23.983 -1.349 1.00 54.14 H new ATOM 0 HD21 LEU A 86 -5.529 -24.658 1.318 1.00 61.04 H new ATOM 0 HD22 LEU A 86 -5.404 -25.667 -0.143 1.00 61.04 H new ATOM 0 HD23 LEU A 86 -3.930 -25.070 0.655 1.00 61.04 H new ATOM 1323 N ALA A 87 -1.984 -25.839 -1.904 1.00 64.44 N ATOM 1324 CA ALA A 87 -1.329 -27.075 -1.494 1.00 70.54 C ATOM 1325 C ALA A 87 0.180 -26.885 -1.378 1.00 74.43 C ATOM 1326 O ALA A 87 0.877 -27.719 -0.802 1.00 21.15 O ATOM 1327 CB ALA A 87 -1.648 -28.193 -2.477 1.00 11.32 C ATOM 0 H ALA A 87 -2.424 -25.880 -2.823 1.00 64.44 H new ATOM 0 HA ALA A 87 -1.711 -27.350 -0.511 1.00 70.54 H new ATOM 0 HB1 ALA A 87 -1.152 -29.110 -2.158 1.00 11.32 H new ATOM 0 HB2 ALA A 87 -2.726 -28.355 -2.507 1.00 11.32 H new ATOM 0 HB3 ALA A 87 -1.295 -27.916 -3.470 1.00 11.32 H new ATOM 1333 N ALA A 88 0.677 -25.784 -1.931 1.00 13.32 N ATOM 1334 CA ALA A 88 2.103 -25.484 -1.888 1.00 35.03 C ATOM 1335 C ALA A 88 2.428 -24.526 -0.747 1.00 20.13 C ATOM 1336 O ALA A 88 3.539 -24.530 -0.218 1.00 34.14 O ATOM 1337 CB ALA A 88 2.559 -24.900 -3.216 1.00 44.03 C ATOM 0 H ALA A 88 0.113 -25.085 -2.414 1.00 13.32 H new ATOM 0 HA ALA A 88 2.640 -26.415 -1.710 1.00 35.03 H new ATOM 0 HB1 ALA A 88 3.626 -24.681 -3.170 1.00 44.03 H new ATOM 0 HB2 ALA A 88 2.370 -25.619 -4.013 1.00 44.03 H new ATOM 0 HB3 ALA A 88 2.008 -23.981 -3.418 1.00 44.03 H new ATOM 1343 N GLY A 89 1.451 -23.705 -0.373 1.00 4.15 N ATOM 1344 CA GLY A 89 1.655 -22.752 0.703 1.00 33.21 C ATOM 1345 C GLY A 89 1.144 -23.264 2.035 1.00 15.22 C ATOM 1346 O GLY A 89 1.903 -23.374 2.998 1.00 33.31 O ATOM 0 H GLY A 89 0.523 -23.683 -0.795 1.00 4.15 H new ATOM 0 HA2 GLY A 89 2.718 -22.526 0.788 1.00 33.21 H new ATOM 0 HA3 GLY A 89 1.149 -21.818 0.458 1.00 33.21 H new ATOM 1350 N ASP A 90 -0.147 -23.575 2.092 1.00 64.33 N ATOM 1351 CA ASP A 90 -0.759 -24.077 3.316 1.00 20.52 C ATOM 1352 C ASP A 90 0.038 -25.249 3.882 1.00 44.41 C ATOM 1353 O ASP A 90 -0.044 -26.370 3.380 1.00 23.33 O ATOM 1354 CB ASP A 90 -2.202 -24.508 3.050 1.00 33.15 C ATOM 1355 CG ASP A 90 -2.752 -25.399 4.147 1.00 0.02 C ATOM 1356 OD1 ASP A 90 -2.494 -25.107 5.334 1.00 21.50 O ATOM 1357 OD2 ASP A 90 -3.441 -26.387 3.819 1.00 60.12 O ATOM 0 H ASP A 90 -0.789 -23.488 1.304 1.00 64.33 H new ATOM 0 HA ASP A 90 -0.757 -23.271 4.050 1.00 20.52 H new ATOM 0 HB2 ASP A 90 -2.831 -23.623 2.955 1.00 33.15 H new ATOM 0 HB3 ASP A 90 -2.251 -25.037 2.098 1.00 33.15 H new ATOM 1362 N THR A 91 0.812 -24.980 4.930 1.00 74.43 N ATOM 1363 CA THR A 91 1.626 -26.011 5.562 1.00 13.53 C ATOM 1364 C THR A 91 1.305 -26.129 7.048 1.00 65.11 C ATOM 1365 O THR A 91 1.179 -27.233 7.579 1.00 4.53 O ATOM 1366 CB THR A 91 3.129 -25.720 5.394 1.00 21.34 C ATOM 1367 OG1 THR A 91 3.408 -24.360 5.744 1.00 15.13 O ATOM 1368 CG2 THR A 91 3.574 -25.982 3.964 1.00 64.54 C ATOM 0 H THR A 91 0.892 -24.058 5.358 1.00 74.43 H new ATOM 0 HA THR A 91 1.388 -26.952 5.066 1.00 13.53 H new ATOM 0 HB THR A 91 3.681 -26.385 6.058 1.00 21.34 H new ATOM 0 HG1 THR A 91 3.037 -23.764 5.060 1.00 15.13 H new ATOM 0 HG21 THR A 91 4.639 -25.770 3.870 1.00 64.54 H new ATOM 0 HG22 THR A 91 3.388 -27.026 3.711 1.00 64.54 H new ATOM 0 HG23 THR A 91 3.014 -25.339 3.285 1.00 64.54 H new ATOM 1407 N GLY A 95 -6.705 -25.690 4.825 1.00 72.25 N ATOM 1408 CA GLY A 95 -7.653 -25.116 3.887 1.00 23.02 C ATOM 1409 C GLY A 95 -7.505 -23.613 3.762 1.00 54.44 C ATOM 1410 O GLY A 95 -8.447 -22.919 3.376 1.00 45.31 O ATOM 0 HA2 GLY A 95 -7.514 -25.575 2.908 1.00 23.02 H new ATOM 0 HA3 GLY A 95 -8.667 -25.353 4.209 1.00 23.02 H new ATOM 1414 N LYS A 96 -6.322 -23.106 4.090 1.00 64.35 N ATOM 1415 CA LYS A 96 -6.053 -21.675 4.012 1.00 21.34 C ATOM 1416 C LYS A 96 -4.569 -21.388 4.218 1.00 60.41 C ATOM 1417 O LYS A 96 -3.794 -22.286 4.551 1.00 13.32 O ATOM 1418 CB LYS A 96 -6.878 -20.923 5.059 1.00 73.41 C ATOM 1419 CG LYS A 96 -6.866 -21.579 6.429 1.00 5.42 C ATOM 1420 CD LYS A 96 -7.551 -20.709 7.470 1.00 43.33 C ATOM 1421 CE LYS A 96 -8.532 -21.512 8.309 1.00 75.12 C ATOM 1422 NZ LYS A 96 -9.835 -21.698 7.612 1.00 72.23 N ATOM 0 H LYS A 96 -5.533 -23.666 4.413 1.00 64.35 H new ATOM 0 HA LYS A 96 -6.337 -21.331 3.018 1.00 21.34 H new ATOM 0 HB2 LYS A 96 -6.496 -19.906 5.149 1.00 73.41 H new ATOM 0 HB3 LYS A 96 -7.908 -20.846 4.711 1.00 73.41 H new ATOM 0 HG2 LYS A 96 -7.367 -22.546 6.375 1.00 5.42 H new ATOM 0 HG3 LYS A 96 -5.837 -21.770 6.733 1.00 5.42 H new ATOM 0 HD2 LYS A 96 -6.801 -20.257 8.119 1.00 43.33 H new ATOM 0 HD3 LYS A 96 -8.077 -19.893 6.975 1.00 43.33 H new ATOM 0 HE2 LYS A 96 -8.101 -22.486 8.539 1.00 75.12 H new ATOM 0 HE3 LYS A 96 -8.698 -21.004 9.259 1.00 75.12 H new ATOM 0 HZ1 LYS A 96 -10.476 -22.250 8.216 1.00 72.23 H new ATOM 0 HZ2 LYS A 96 -10.259 -20.769 7.415 1.00 72.23 H new ATOM 0 HZ3 LYS A 96 -9.681 -22.205 6.717 1.00 72.23 H new ATOM 1436 N ILE A 97 -4.181 -20.133 4.019 1.00 65.55 N ATOM 1437 CA ILE A 97 -2.790 -19.729 4.185 1.00 60.22 C ATOM 1438 C ILE A 97 -2.688 -18.405 4.935 1.00 73.51 C ATOM 1439 O ILE A 97 -3.525 -17.519 4.768 1.00 70.24 O ATOM 1440 CB ILE A 97 -2.077 -19.593 2.826 1.00 11.25 C ATOM 1441 CG1 ILE A 97 -2.026 -20.946 2.115 1.00 64.23 C ATOM 1442 CG2 ILE A 97 -0.675 -19.035 3.018 1.00 24.21 C ATOM 1443 CD1 ILE A 97 -1.342 -20.894 0.766 1.00 21.13 C ATOM 0 H ILE A 97 -4.810 -19.379 3.743 1.00 65.55 H new ATOM 0 HA ILE A 97 -2.301 -20.511 4.766 1.00 60.22 H new ATOM 0 HB ILE A 97 -2.641 -18.898 2.203 1.00 11.25 H new ATOM 0 HG12 ILE A 97 -1.505 -21.662 2.750 1.00 64.23 H new ATOM 0 HG13 ILE A 97 -3.042 -21.317 1.984 1.00 64.23 H new ATOM 0 HG21 ILE A 97 -0.184 -18.945 2.049 1.00 24.21 H new ATOM 0 HG22 ILE A 97 -0.735 -18.053 3.487 1.00 24.21 H new ATOM 0 HG23 ILE A 97 -0.100 -19.707 3.655 1.00 24.21 H new ATOM 0 HD11 ILE A 97 -1.342 -21.888 0.319 1.00 21.13 H new ATOM 0 HD12 ILE A 97 -1.876 -20.203 0.114 1.00 21.13 H new ATOM 0 HD13 ILE A 97 -0.314 -20.553 0.892 1.00 21.13 H new ATOM 1455 N GLY A 98 -1.655 -18.278 5.762 1.00 11.11 N ATOM 1456 CA GLY A 98 -1.461 -17.058 6.525 1.00 74.35 C ATOM 1457 C GLY A 98 -0.183 -16.336 6.148 1.00 21.23 C ATOM 1458 O GLY A 98 -0.010 -15.920 5.003 1.00 54.23 O ATOM 0 H GLY A 98 -0.949 -18.998 5.918 1.00 11.11 H new ATOM 0 HA2 GLY A 98 -2.311 -16.394 6.365 1.00 74.35 H new ATOM 0 HA3 GLY A 98 -1.439 -17.298 7.588 1.00 74.35 H new ATOM 1462 N VAL A 99 0.716 -16.185 7.116 1.00 64.44 N ATOM 1463 CA VAL A 99 1.986 -15.508 6.880 1.00 12.14 C ATOM 1464 C VAL A 99 3.153 -16.486 6.955 1.00 52.04 C ATOM 1465 O VAL A 99 3.927 -16.616 6.007 1.00 1.02 O ATOM 1466 CB VAL A 99 2.214 -14.375 7.898 1.00 3.24 C ATOM 1467 CG1 VAL A 99 2.069 -13.017 7.228 1.00 65.11 C ATOM 1468 CG2 VAL A 99 1.250 -14.507 9.067 1.00 11.04 C ATOM 0 H VAL A 99 0.588 -16.522 8.070 1.00 64.44 H new ATOM 0 HA VAL A 99 1.937 -15.083 5.878 1.00 12.14 H new ATOM 0 HB VAL A 99 3.230 -14.456 8.284 1.00 3.24 H new ATOM 0 HG11 VAL A 99 2.234 -12.229 7.963 1.00 65.11 H new ATOM 0 HG12 VAL A 99 2.803 -12.926 6.428 1.00 65.11 H new ATOM 0 HG13 VAL A 99 1.066 -12.922 6.812 1.00 65.11 H new ATOM 0 HG21 VAL A 99 1.425 -13.698 9.776 1.00 11.04 H new ATOM 0 HG22 VAL A 99 0.225 -14.453 8.701 1.00 11.04 H new ATOM 0 HG23 VAL A 99 1.408 -15.465 9.563 1.00 11.04 H new ATOM 1478 N GLU A 100 3.272 -17.172 8.087 1.00 32.11 N ATOM 1479 CA GLU A 100 4.345 -18.139 8.285 1.00 44.24 C ATOM 1480 C GLU A 100 4.331 -19.200 7.188 1.00 51.43 C ATOM 1481 O GLU A 100 5.373 -19.741 6.821 1.00 60.14 O ATOM 1482 CB GLU A 100 4.216 -18.805 9.656 1.00 73.42 C ATOM 1483 CG GLU A 100 5.315 -18.415 10.629 1.00 44.12 C ATOM 1484 CD GLU A 100 5.592 -19.492 11.660 1.00 71.14 C ATOM 1485 OE1 GLU A 100 5.615 -20.682 11.283 1.00 32.42 O ATOM 1486 OE2 GLU A 100 5.786 -19.144 12.843 1.00 13.13 O ATOM 0 H GLU A 100 2.639 -17.076 8.881 1.00 32.11 H new ATOM 0 HA GLU A 100 5.294 -17.604 8.237 1.00 44.24 H new ATOM 0 HB2 GLU A 100 3.250 -18.543 10.088 1.00 73.42 H new ATOM 0 HB3 GLU A 100 4.224 -19.887 9.527 1.00 73.42 H new ATOM 0 HG2 GLU A 100 6.229 -18.206 10.074 1.00 44.12 H new ATOM 0 HG3 GLU A 100 5.034 -17.493 11.139 1.00 44.12 H new ATOM 1493 N GLU A 101 3.142 -19.491 6.670 1.00 54.11 N ATOM 1494 CA GLU A 101 2.991 -20.488 5.616 1.00 3.24 C ATOM 1495 C GLU A 101 3.145 -19.851 4.238 1.00 3.44 C ATOM 1496 O GLU A 101 3.280 -20.547 3.232 1.00 51.42 O ATOM 1497 CB GLU A 101 1.628 -21.174 5.724 1.00 52.14 C ATOM 1498 CG GLU A 101 1.256 -21.570 7.143 1.00 54.15 C ATOM 1499 CD GLU A 101 -0.144 -22.146 7.239 1.00 23.14 C ATOM 1500 OE1 GLU A 101 -0.481 -23.024 6.417 1.00 13.43 O ATOM 1501 OE2 GLU A 101 -0.901 -21.720 8.136 1.00 3.12 O ATOM 0 H GLU A 101 2.270 -19.051 6.963 1.00 54.11 H new ATOM 0 HA GLU A 101 3.776 -21.234 5.742 1.00 3.24 H new ATOM 0 HB2 GLU A 101 0.862 -20.506 5.330 1.00 52.14 H new ATOM 0 HB3 GLU A 101 1.628 -22.065 5.096 1.00 52.14 H new ATOM 0 HG2 GLU A 101 1.973 -22.304 7.511 1.00 54.15 H new ATOM 0 HG3 GLU A 101 1.331 -20.697 7.792 1.00 54.15 H new ATOM 1508 N PHE A 102 3.124 -18.522 4.202 1.00 70.34 N ATOM 1509 CA PHE A 102 3.260 -17.790 2.948 1.00 75.12 C ATOM 1510 C PHE A 102 4.725 -17.685 2.535 1.00 12.53 C ATOM 1511 O PHE A 102 5.124 -18.199 1.491 1.00 23.13 O ATOM 1512 CB PHE A 102 2.654 -16.391 3.081 1.00 34.44 C ATOM 1513 CG PHE A 102 2.643 -15.617 1.794 1.00 32.33 C ATOM 1514 CD1 PHE A 102 1.617 -15.785 0.878 1.00 12.44 C ATOM 1515 CD2 PHE A 102 3.659 -14.723 1.500 1.00 2.32 C ATOM 1516 CE1 PHE A 102 1.604 -15.074 -0.307 1.00 13.41 C ATOM 1517 CE2 PHE A 102 3.651 -14.009 0.317 1.00 42.41 C ATOM 1518 CZ PHE A 102 2.623 -14.185 -0.588 1.00 71.13 C ATOM 0 H PHE A 102 3.014 -17.931 5.026 1.00 70.34 H new ATOM 0 HA PHE A 102 2.722 -18.340 2.176 1.00 75.12 H new ATOM 0 HB2 PHE A 102 1.632 -16.480 3.451 1.00 34.44 H new ATOM 0 HB3 PHE A 102 3.216 -15.830 3.828 1.00 34.44 H new ATOM 0 HD1 PHE A 102 0.818 -16.480 1.093 1.00 12.44 H new ATOM 0 HD2 PHE A 102 4.467 -14.582 2.203 1.00 2.32 H new ATOM 0 HE1 PHE A 102 0.798 -15.213 -1.012 1.00 13.41 H new ATOM 0 HE2 PHE A 102 4.448 -13.314 0.100 1.00 42.41 H new ATOM 0 HZ PHE A 102 2.616 -13.629 -1.514 1.00 71.13 H new ATOM 1528 N GLN A 103 5.519 -17.013 3.363 1.00 64.33 N ATOM 1529 CA GLN A 103 6.940 -16.839 3.083 1.00 12.05 C ATOM 1530 C GLN A 103 7.621 -18.186 2.867 1.00 44.01 C ATOM 1531 O GLN A 103 8.610 -18.283 2.140 1.00 41.30 O ATOM 1532 CB GLN A 103 7.619 -16.089 4.231 1.00 35.21 C ATOM 1533 CG GLN A 103 7.330 -16.683 5.601 1.00 53.35 C ATOM 1534 CD GLN A 103 8.014 -15.925 6.721 1.00 22.01 C ATOM 1535 OE1 GLN A 103 8.188 -14.708 6.647 1.00 25.34 O ATOM 1536 NE2 GLN A 103 8.406 -16.642 7.768 1.00 64.14 N ATOM 0 H GLN A 103 5.203 -16.581 4.231 1.00 64.33 H new ATOM 0 HA GLN A 103 7.036 -16.254 2.169 1.00 12.05 H new ATOM 0 HB2 GLN A 103 8.696 -16.086 4.065 1.00 35.21 H new ATOM 0 HB3 GLN A 103 7.292 -15.049 4.219 1.00 35.21 H new ATOM 0 HG2 GLN A 103 6.254 -16.684 5.773 1.00 53.35 H new ATOM 0 HG3 GLN A 103 7.657 -17.723 5.618 1.00 53.35 H new ATOM 0 HE21 GLN A 103 8.241 -17.648 7.787 1.00 64.14 H new ATOM 0 HE22 GLN A 103 8.872 -16.186 8.553 1.00 64.14 H new ATOM 1545 N SER A 104 7.087 -19.223 3.503 1.00 34.30 N ATOM 1546 CA SER A 104 7.646 -20.565 3.383 1.00 11.33 C ATOM 1547 C SER A 104 7.481 -21.097 1.963 1.00 30.21 C ATOM 1548 O SER A 104 8.095 -22.097 1.587 1.00 51.31 O ATOM 1549 CB SER A 104 6.971 -21.512 4.377 1.00 62.10 C ATOM 1550 OG SER A 104 7.646 -22.757 4.433 1.00 10.05 O ATOM 0 H SER A 104 6.268 -19.160 4.107 1.00 34.30 H new ATOM 0 HA SER A 104 8.711 -20.510 3.610 1.00 11.33 H new ATOM 0 HB2 SER A 104 6.958 -21.057 5.367 1.00 62.10 H new ATOM 0 HB3 SER A 104 5.933 -21.670 4.086 1.00 62.10 H new ATOM 0 HG SER A 104 8.029 -22.962 3.554 1.00 10.05 H new ATOM 1556 N LEU A 105 6.648 -20.423 1.178 1.00 13.05 N ATOM 1557 CA LEU A 105 6.400 -20.827 -0.201 1.00 45.14 C ATOM 1558 C LEU A 105 7.122 -19.903 -1.177 1.00 4.11 C ATOM 1559 O LEU A 105 7.680 -20.353 -2.178 1.00 22.22 O ATOM 1560 CB LEU A 105 4.899 -20.823 -0.493 1.00 50.25 C ATOM 1561 CG LEU A 105 4.502 -20.878 -1.969 1.00 61.31 C ATOM 1562 CD1 LEU A 105 3.211 -21.662 -2.146 1.00 32.05 C ATOM 1563 CD2 LEU A 105 4.357 -19.473 -2.536 1.00 20.44 C ATOM 0 H LEU A 105 6.133 -19.594 1.473 1.00 13.05 H new ATOM 0 HA LEU A 105 6.786 -21.838 -0.332 1.00 45.14 H new ATOM 0 HB2 LEU A 105 4.448 -21.675 0.016 1.00 50.25 H new ATOM 0 HB3 LEU A 105 4.466 -19.924 -0.054 1.00 50.25 H new ATOM 0 HG LEU A 105 5.292 -21.390 -2.518 1.00 61.31 H new ATOM 0 HD11 LEU A 105 2.944 -21.690 -3.203 1.00 32.05 H new ATOM 0 HD12 LEU A 105 3.350 -22.679 -1.779 1.00 32.05 H new ATOM 0 HD13 LEU A 105 2.412 -21.179 -1.583 1.00 32.05 H new ATOM 0 HD21 LEU A 105 4.074 -19.532 -3.587 1.00 20.44 H new ATOM 0 HD22 LEU A 105 3.587 -18.935 -1.983 1.00 20.44 H new ATOM 0 HD23 LEU A 105 5.306 -18.944 -2.445 1.00 20.44 H new ATOM 1575 N VAL A 106 7.110 -18.608 -0.877 1.00 54.12 N ATOM 1576 CA VAL A 106 7.766 -17.620 -1.726 1.00 32.34 C ATOM 1577 C VAL A 106 9.263 -17.889 -1.825 1.00 61.52 C ATOM 1578 O VAL A 106 9.839 -17.865 -2.913 1.00 73.53 O ATOM 1579 CB VAL A 106 7.547 -16.191 -1.196 1.00 15.23 C ATOM 1580 CG1 VAL A 106 8.175 -15.171 -2.134 1.00 33.35 C ATOM 1581 CG2 VAL A 106 6.062 -15.914 -1.011 1.00 3.55 C ATOM 0 H VAL A 106 6.653 -18.218 -0.052 1.00 54.12 H new ATOM 0 HA VAL A 106 7.318 -17.705 -2.716 1.00 32.34 H new ATOM 0 HB VAL A 106 8.034 -16.103 -0.225 1.00 15.23 H new ATOM 0 HG11 VAL A 106 8.010 -14.167 -1.743 1.00 33.35 H new ATOM 0 HG12 VAL A 106 9.246 -15.359 -2.211 1.00 33.35 H new ATOM 0 HG13 VAL A 106 7.720 -15.255 -3.121 1.00 33.35 H new ATOM 0 HG21 VAL A 106 5.925 -14.900 -0.636 1.00 3.55 H new ATOM 0 HG22 VAL A 106 5.550 -16.019 -1.968 1.00 3.55 H new ATOM 0 HG23 VAL A 106 5.646 -16.624 -0.297 1.00 3.55 H new ATOM 1591 N LYS A 107 9.890 -18.147 -0.682 1.00 53.41 N ATOM 1592 CA LYS A 107 11.321 -18.423 -0.639 1.00 13.32 C ATOM 1593 C LYS A 107 11.663 -19.653 -1.473 1.00 40.23 C ATOM 1594 O LYS A 107 12.817 -19.859 -1.847 1.00 23.55 O ATOM 1595 CB LYS A 107 11.777 -18.631 0.807 1.00 43.10 C ATOM 1596 CG LYS A 107 11.435 -17.471 1.726 1.00 43.21 C ATOM 1597 CD LYS A 107 11.297 -17.925 3.169 1.00 1.13 C ATOM 1598 CE LYS A 107 12.654 -18.060 3.843 1.00 32.24 C ATOM 1599 NZ LYS A 107 12.579 -18.889 5.078 1.00 4.04 N ATOM 0 H LYS A 107 9.429 -18.171 0.228 1.00 53.41 H new ATOM 0 HA LYS A 107 11.845 -17.564 -1.059 1.00 13.32 H new ATOM 0 HB2 LYS A 107 11.318 -19.540 1.197 1.00 43.10 H new ATOM 0 HB3 LYS A 107 12.856 -18.788 0.820 1.00 43.10 H new ATOM 0 HG2 LYS A 107 12.211 -16.709 1.656 1.00 43.21 H new ATOM 0 HG3 LYS A 107 10.504 -17.008 1.399 1.00 43.21 H new ATOM 0 HD2 LYS A 107 10.686 -17.210 3.720 1.00 1.13 H new ATOM 0 HD3 LYS A 107 10.776 -18.882 3.202 1.00 1.13 H new ATOM 0 HE2 LYS A 107 13.362 -18.509 3.147 1.00 32.24 H new ATOM 0 HE3 LYS A 107 13.036 -17.070 4.093 1.00 32.24 H new ATOM 0 HZ1 LYS A 107 13.523 -18.957 5.508 1.00 4.04 H new ATOM 0 HZ2 LYS A 107 11.922 -18.448 5.753 1.00 4.04 H new ATOM 0 HZ3 LYS A 107 12.239 -19.842 4.837 1.00 4.04 H new ATOM 1613 N ALA A 108 10.652 -20.465 -1.763 1.00 62.44 N ATOM 1614 CA ALA A 108 10.846 -21.673 -2.557 1.00 2.32 C ATOM 1615 C ALA A 108 10.791 -21.364 -4.049 1.00 44.30 C ATOM 1616 O ALA A 108 11.461 -22.015 -4.852 1.00 55.34 O ATOM 1617 CB ALA A 108 9.801 -22.717 -2.193 1.00 53.33 C ATOM 0 H ALA A 108 9.691 -20.309 -1.460 1.00 62.44 H new ATOM 0 HA ALA A 108 11.835 -22.071 -2.332 1.00 2.32 H new ATOM 0 HB1 ALA A 108 9.958 -23.613 -2.793 1.00 53.33 H new ATOM 0 HB2 ALA A 108 9.890 -22.968 -1.136 1.00 53.33 H new ATOM 0 HB3 ALA A 108 8.805 -22.319 -2.389 1.00 53.33 H new