USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 16 LYS NZ :NH3+ -153:sc= -2.73 (180deg=-4.89!) USER MOD Set 1.2: A 47 ASN : amide:sc= -3.08! C(o=-5.8!,f=-9.5!) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.155 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0.00453 (180deg=0.00281) USER MOD Single : A 10 SER OG : rot -30:sc= 0.398 USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= -2.69! (180deg=-6.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 29 SER OG : rot -62:sc= 0.622! USER MOD Single : A 41 THR OG1 : rot 26:sc= 0.23 USER MOD Single : A 46 MET CE :methyl 169:sc= 0 (180deg=-0.0881) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.15 F(o=-6.6!,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.828 K(o=-0.83,f=-2.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -111:sc= 1.07! USER MOD Single : A 68 GLN :FLIP amide:sc= -1.71 F(o=-4.8!,f=-1.7) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.282 F(o=-0.86,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.744 -3.690 7.036 1.00 1.00 N ATOM 2 CA ALA A 1 -9.927 -3.808 5.563 1.00 1.00 C ATOM 3 C ALA A 1 -10.174 -5.272 5.200 1.00 1.00 C ATOM 4 O ALA A 1 -10.064 -6.158 6.044 1.00 1.00 O ATOM 5 CB ALA A 1 -8.672 -3.294 4.852 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.523 -3.131 7.439 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.742 -4.638 7.463 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.839 -3.218 7.237 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.784 -3.212 5.248 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.804 -3.380 3.773 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.507 -2.249 5.116 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.811 -3.887 5.160 1.00 1.00 H new ATOM 13 N LYS A 2 -10.512 -5.515 3.939 1.00 1.00 N ATOM 14 CA LYS A 2 -10.774 -6.870 3.471 1.00 1.00 C ATOM 15 C LYS A 2 -9.475 -7.579 3.129 1.00 1.00 C ATOM 16 O LYS A 2 -8.502 -6.949 2.732 1.00 1.00 O ATOM 17 CB LYS A 2 -11.674 -6.821 2.235 1.00 1.00 C ATOM 18 CG LYS A 2 -12.986 -6.096 2.566 1.00 1.00 C ATOM 19 CD LYS A 2 -13.926 -7.035 3.328 1.00 1.00 C ATOM 20 CE LYS A 2 -15.252 -6.332 3.583 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.154 -7.243 4.344 1.00 1.00 N ATOM 0 H LYS A 2 -10.611 -4.794 3.225 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.273 -7.423 4.267 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.161 -6.307 1.422 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.886 -7.833 1.889 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -12.780 -5.209 3.166 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.465 -5.756 1.648 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -14.091 -7.947 2.753 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.472 -7.332 4.274 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.087 -5.412 4.144 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.715 -6.050 2.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.061 -6.766 4.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -16.320 -8.109 3.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.711 -7.491 5.252 1.00 1.00 H new ATOM 35 N LYS A 3 -9.469 -8.896 3.289 1.00 1.00 N ATOM 36 CA LYS A 3 -8.276 -9.682 3.001 1.00 1.00 C ATOM 37 C LYS A 3 -7.881 -9.541 1.536 1.00 1.00 C ATOM 38 O LYS A 3 -6.701 -9.441 1.210 1.00 1.00 O ATOM 39 CB LYS A 3 -8.536 -11.154 3.315 1.00 1.00 C ATOM 40 CG LYS A 3 -8.802 -11.318 4.814 1.00 1.00 C ATOM 41 CD LYS A 3 -8.887 -12.810 5.160 1.00 1.00 C ATOM 42 CE LYS A 3 -10.116 -13.430 4.486 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.447 -14.719 5.150 1.00 1.00 N ATOM 0 H LYS A 3 -10.269 -9.439 3.614 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.462 -9.312 3.624 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.391 -11.513 2.742 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.677 -11.757 3.019 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.006 -10.846 5.389 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.731 -10.818 5.086 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.983 -13.321 4.830 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.949 -12.939 6.241 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.963 -12.747 4.551 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.919 -13.594 3.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.281 -15.141 4.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.640 -15.370 5.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.652 -14.549 6.155 1.00 1.00 H new ATOM 57 N GLU A 4 -8.877 -9.544 0.657 1.00 1.00 N ATOM 58 CA GLU A 4 -8.614 -9.424 -0.772 1.00 1.00 C ATOM 59 C GLU A 4 -7.815 -8.159 -1.069 1.00 1.00 C ATOM 60 O GLU A 4 -6.838 -8.196 -1.817 1.00 1.00 O ATOM 61 CB GLU A 4 -9.942 -9.385 -1.540 1.00 1.00 C ATOM 62 CG GLU A 4 -10.698 -8.100 -1.194 1.00 1.00 C ATOM 63 CD GLU A 4 -12.156 -8.217 -1.620 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.411 -8.884 -2.607 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.995 -7.635 -0.952 1.00 1.00 O ATOM 0 H GLU A 4 -9.863 -9.627 0.905 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.030 -10.288 -1.091 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.755 -9.431 -2.613 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.547 -10.255 -1.284 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.639 -7.912 -0.122 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.233 -7.250 -1.693 1.00 1.00 H new ATOM 72 N THR A 5 -8.242 -7.043 -0.491 1.00 1.00 N ATOM 73 CA THR A 5 -7.568 -5.772 -0.706 1.00 1.00 C ATOM 74 C THR A 5 -6.192 -5.779 -0.051 1.00 1.00 C ATOM 75 O THR A 5 -5.218 -5.303 -0.626 1.00 1.00 O ATOM 76 CB THR A 5 -8.405 -4.627 -0.133 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.772 -4.826 -0.483 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.923 -3.301 -0.730 1.00 1.00 C ATOM 0 H THR A 5 -9.051 -6.994 0.129 1.00 1.00 H new ATOM 0 HA THR A 5 -7.447 -5.626 -1.779 1.00 1.00 H new ATOM 0 HB THR A 5 -8.300 -4.603 0.952 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.313 -4.096 -0.117 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.517 -2.482 -0.324 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.874 -3.148 -0.477 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.035 -3.328 -1.814 1.00 1.00 H new ATOM 86 N ILE A 6 -6.125 -6.316 1.160 1.00 1.00 N ATOM 87 CA ILE A 6 -4.866 -6.369 1.891 1.00 1.00 C ATOM 88 C ILE A 6 -3.818 -7.146 1.099 1.00 1.00 C ATOM 89 O ILE A 6 -2.670 -6.720 0.995 1.00 1.00 O ATOM 90 CB ILE A 6 -5.081 -7.043 3.253 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.891 -6.112 4.160 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.728 -7.351 3.902 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.356 -6.884 5.399 1.00 1.00 C ATOM 0 H ILE A 6 -6.921 -6.718 1.654 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.511 -5.349 2.040 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.626 -7.976 3.111 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.283 -5.257 4.458 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.752 -5.718 3.619 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.888 -7.829 4.868 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.159 -8.020 3.256 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.173 -6.424 4.044 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.933 -6.222 6.045 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.979 -7.724 5.092 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.488 -7.256 5.943 1.00 1.00 H new ATOM 105 N ASP A 7 -4.221 -8.280 0.543 1.00 1.00 N ATOM 106 CA ASP A 7 -3.302 -9.100 -0.235 1.00 1.00 C ATOM 107 C ASP A 7 -2.755 -8.303 -1.413 1.00 1.00 C ATOM 108 O ASP A 7 -1.574 -8.395 -1.745 1.00 1.00 O ATOM 109 CB ASP A 7 -4.029 -10.343 -0.752 1.00 1.00 C ATOM 110 CG ASP A 7 -3.017 -11.393 -1.199 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.237 -11.825 -0.367 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.036 -11.747 -2.367 1.00 1.00 O ATOM 0 H ASP A 7 -5.169 -8.651 0.615 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.473 -9.403 0.405 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.668 -10.752 0.031 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.678 -10.074 -1.585 1.00 1.00 H new ATOM 117 N LYS A 8 -3.620 -7.521 -2.040 1.00 1.00 N ATOM 118 CA LYS A 8 -3.203 -6.709 -3.180 1.00 1.00 C ATOM 119 C LYS A 8 -2.212 -5.638 -2.753 1.00 1.00 C ATOM 120 O LYS A 8 -1.176 -5.459 -3.386 1.00 1.00 O ATOM 121 CB LYS A 8 -4.432 -6.042 -3.811 1.00 1.00 C ATOM 122 CG LYS A 8 -5.249 -7.083 -4.590 1.00 1.00 C ATOM 123 CD LYS A 8 -4.701 -7.204 -6.027 1.00 1.00 C ATOM 124 CE LYS A 8 -5.378 -6.165 -6.922 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.831 -6.271 -8.299 1.00 1.00 N ATOM 0 H LYS A 8 -4.604 -7.429 -1.786 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.717 -7.361 -3.906 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.049 -5.589 -3.035 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.119 -5.239 -4.478 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.198 -8.049 -4.088 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.299 -6.792 -4.614 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.621 -7.053 -6.029 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.884 -8.207 -6.414 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.456 -6.325 -6.933 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.209 -5.163 -6.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.314 -5.589 -8.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.812 -6.065 -8.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.984 -7.234 -8.660 1.00 1.00 H new ATOM 139 N VAL A 9 -2.537 -4.933 -1.678 1.00 1.00 N ATOM 140 CA VAL A 9 -1.663 -3.874 -1.183 1.00 1.00 C ATOM 141 C VAL A 9 -0.289 -4.440 -0.842 1.00 1.00 C ATOM 142 O VAL A 9 0.736 -3.878 -1.222 1.00 1.00 O ATOM 143 CB VAL A 9 -2.277 -3.238 0.064 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.290 -2.238 0.667 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.563 -2.510 -0.317 1.00 1.00 C ATOM 0 H VAL A 9 -3.390 -5.071 -1.136 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.553 -3.118 -1.961 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.500 -4.016 0.794 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.729 -1.785 1.556 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.370 -2.754 0.939 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.067 -1.461 -0.064 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -4.001 -2.056 0.572 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.338 -1.733 -1.048 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.269 -3.220 -0.748 1.00 1.00 H new ATOM 155 N SER A 10 -0.274 -5.561 -0.136 1.00 1.00 N ATOM 156 CA SER A 10 0.983 -6.196 0.235 1.00 1.00 C ATOM 157 C SER A 10 1.758 -6.589 -1.013 1.00 1.00 C ATOM 158 O SER A 10 2.963 -6.420 -1.072 1.00 1.00 O ATOM 159 CB SER A 10 0.710 -7.446 1.078 1.00 1.00 C ATOM 160 OG SER A 10 -0.091 -8.347 0.328 1.00 1.00 O ATOM 0 H SER A 10 -1.110 -6.047 0.189 1.00 1.00 H new ATOM 0 HA SER A 10 1.573 -5.488 0.818 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.649 -7.922 1.359 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.202 -7.172 2.003 1.00 1.00 H new ATOM 0 HG SER A 10 -0.661 -7.842 -0.289 1.00 1.00 H new ATOM 166 N ASP A 11 1.058 -7.102 -2.017 1.00 1.00 N ATOM 167 CA ASP A 11 1.707 -7.525 -3.251 1.00 1.00 C ATOM 168 C ASP A 11 2.393 -6.353 -3.927 1.00 1.00 C ATOM 169 O ASP A 11 3.476 -6.498 -4.483 1.00 1.00 O ATOM 170 CB ASP A 11 0.649 -8.127 -4.200 1.00 1.00 C ATOM 171 CG ASP A 11 0.415 -9.602 -3.881 1.00 1.00 C ATOM 172 OD1 ASP A 11 1.114 -10.129 -3.031 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.466 -10.183 -4.489 1.00 1.00 O ATOM 0 H ASP A 11 0.047 -7.235 -2.002 1.00 1.00 H new ATOM 0 HA ASP A 11 2.462 -8.274 -3.013 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.287 -7.576 -4.105 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.978 -8.021 -5.234 1.00 1.00 H new ATOM 178 N ILE A 12 1.768 -5.194 -3.871 1.00 1.00 N ATOM 179 CA ILE A 12 2.352 -4.021 -4.487 1.00 1.00 C ATOM 180 C ILE A 12 3.730 -3.754 -3.928 1.00 1.00 C ATOM 181 O ILE A 12 4.638 -3.461 -4.682 1.00 1.00 O ATOM 182 CB ILE A 12 1.433 -2.791 -4.256 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.471 -2.608 -5.439 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.265 -1.516 -4.069 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.551 -3.739 -5.462 1.00 1.00 C ATOM 0 H ILE A 12 0.870 -5.040 -3.413 1.00 1.00 H new ATOM 0 HA ILE A 12 2.446 -4.201 -5.558 1.00 1.00 H new ATOM 0 HB ILE A 12 0.855 -2.971 -3.349 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -0.039 -1.648 -5.358 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.031 -2.594 -6.374 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.600 -0.668 -3.909 1.00 1.00 H new ATOM 0 HG22 ILE A 12 2.920 -1.632 -3.205 1.00 1.00 H new ATOM 0 HG23 ILE A 12 2.868 -1.341 -4.960 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.229 -3.600 -6.304 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.035 -4.694 -5.565 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.121 -3.733 -4.533 1.00 1.00 H new ATOM 197 N VAL A 13 3.850 -3.786 -2.611 1.00 1.00 N ATOM 198 CA VAL A 13 5.118 -3.489 -1.963 1.00 1.00 C ATOM 199 C VAL A 13 6.155 -4.538 -2.327 1.00 1.00 C ATOM 200 O VAL A 13 7.305 -4.216 -2.616 1.00 1.00 O ATOM 201 CB VAL A 13 4.929 -3.455 -0.445 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.260 -3.123 0.229 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.891 -2.391 -0.076 1.00 1.00 C ATOM 0 H VAL A 13 3.089 -4.014 -1.971 1.00 1.00 H new ATOM 0 HA VAL A 13 5.467 -2.515 -2.306 1.00 1.00 H new ATOM 0 HB VAL A 13 4.582 -4.431 -0.105 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.124 -3.099 1.310 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.997 -3.884 -0.027 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.609 -2.149 -0.115 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.760 -2.370 1.006 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.233 -1.415 -0.419 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.940 -2.630 -0.552 1.00 1.00 H new ATOM 213 N LYS A 14 5.741 -5.798 -2.293 1.00 1.00 N ATOM 214 CA LYS A 14 6.647 -6.898 -2.603 1.00 1.00 C ATOM 215 C LYS A 14 7.114 -6.830 -4.053 1.00 1.00 C ATOM 216 O LYS A 14 8.283 -7.065 -4.352 1.00 1.00 O ATOM 217 CB LYS A 14 5.950 -8.224 -2.370 1.00 1.00 C ATOM 218 CG LYS A 14 5.511 -8.313 -0.904 1.00 1.00 C ATOM 219 CD LYS A 14 5.367 -9.786 -0.463 1.00 1.00 C ATOM 220 CE LYS A 14 6.132 -10.008 0.840 1.00 1.00 C ATOM 221 NZ LYS A 14 5.503 -9.218 1.931 1.00 1.00 N ATOM 0 H LYS A 14 4.791 -6.083 -2.056 1.00 1.00 H new ATOM 0 HA LYS A 14 7.514 -6.813 -1.948 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.085 -8.314 -3.027 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.621 -9.048 -2.612 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.240 -7.809 -0.270 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.561 -7.795 -0.772 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.314 -10.034 -0.325 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.751 -10.448 -1.239 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.131 -11.067 1.098 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.173 -9.711 0.717 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.186 -8.522 2.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.666 -8.723 1.563 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.217 -9.856 2.701 1.00 1.00 H new ATOM 235 N GLU A 15 6.186 -6.517 -4.949 1.00 1.00 N ATOM 236 CA GLU A 15 6.509 -6.431 -6.367 1.00 1.00 C ATOM 237 C GLU A 15 7.631 -5.434 -6.610 1.00 1.00 C ATOM 238 O GLU A 15 8.279 -5.459 -7.655 1.00 1.00 O ATOM 239 CB GLU A 15 5.262 -6.027 -7.159 1.00 1.00 C ATOM 240 CG GLU A 15 4.306 -7.217 -7.274 1.00 1.00 C ATOM 241 CD GLU A 15 4.855 -8.233 -8.273 1.00 1.00 C ATOM 242 OE1 GLU A 15 5.663 -7.844 -9.100 1.00 1.00 O ATOM 243 OE2 GLU A 15 4.465 -9.384 -8.193 1.00 1.00 O ATOM 0 H GLU A 15 5.211 -6.320 -4.721 1.00 1.00 H new ATOM 0 HA GLU A 15 6.848 -7.410 -6.704 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.761 -5.194 -6.665 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.548 -5.683 -8.153 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.178 -7.686 -6.299 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.322 -6.874 -7.595 1.00 1.00 H new ATOM 250 N LYS A 16 7.844 -4.551 -5.650 1.00 1.00 N ATOM 251 CA LYS A 16 8.883 -3.536 -5.770 1.00 1.00 C ATOM 252 C LYS A 16 10.249 -4.191 -5.794 1.00 1.00 C ATOM 253 O LYS A 16 11.115 -3.798 -6.578 1.00 1.00 O ATOM 254 CB LYS A 16 8.788 -2.552 -4.601 1.00 1.00 C ATOM 255 CG LYS A 16 7.358 -2.054 -4.449 1.00 1.00 C ATOM 256 CD LYS A 16 7.017 -1.054 -5.546 1.00 1.00 C ATOM 257 CE LYS A 16 5.526 -0.763 -5.546 1.00 1.00 C ATOM 258 NZ LYS A 16 5.281 0.529 -6.243 1.00 1.00 N ATOM 0 H LYS A 16 7.314 -4.514 -4.779 1.00 1.00 H new ATOM 0 HA LYS A 16 8.741 -2.990 -6.703 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.112 -3.037 -3.680 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.458 -1.709 -4.770 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.668 -2.897 -4.491 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.232 -1.587 -3.472 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.575 -0.130 -5.392 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.317 -1.451 -6.516 1.00 1.00 H new ATOM 0 HE2 LYS A 16 4.986 -1.568 -6.045 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.152 -0.715 -4.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.409 0.961 -5.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.082 1.171 -6.076 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.181 0.359 -7.264 1.00 1.00 H new ATOM 272 N LEU A 17 10.443 -5.194 -4.937 1.00 1.00 N ATOM 273 CA LEU A 17 11.723 -5.908 -4.878 1.00 1.00 C ATOM 274 C LEU A 17 11.543 -7.336 -5.363 1.00 1.00 C ATOM 275 O LEU A 17 12.500 -8.098 -5.401 1.00 1.00 O ATOM 276 CB LEU A 17 12.262 -5.918 -3.441 1.00 1.00 C ATOM 277 CG LEU A 17 11.080 -5.908 -2.449 1.00 1.00 C ATOM 278 CD1 LEU A 17 11.493 -6.605 -1.160 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.667 -4.461 -2.141 1.00 1.00 C ATOM 0 H LEU A 17 9.739 -5.529 -4.279 1.00 1.00 H new ATOM 0 HA LEU A 17 12.437 -5.395 -5.522 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.879 -6.801 -3.279 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.899 -5.049 -3.274 1.00 1.00 H new ATOM 0 HG LEU A 17 10.235 -6.433 -2.894 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.658 -6.598 -0.459 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.775 -7.635 -1.378 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.341 -6.082 -0.719 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.832 -4.462 -1.440 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.510 -3.928 -1.701 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.366 -3.964 -3.063 1.00 1.00 H new ATOM 291 N ALA A 18 10.311 -7.692 -5.724 1.00 1.00 N ATOM 292 CA ALA A 18 10.025 -9.039 -6.206 1.00 1.00 C ATOM 293 C ALA A 18 9.969 -10.034 -5.058 1.00 1.00 C ATOM 294 O ALA A 18 10.866 -10.856 -4.896 1.00 1.00 O ATOM 295 CB ALA A 18 11.102 -9.475 -7.213 1.00 1.00 C ATOM 0 H ALA A 18 9.502 -7.071 -5.692 1.00 1.00 H new ATOM 0 HA ALA A 18 9.051 -9.022 -6.694 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.882 -10.482 -7.568 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.111 -8.786 -8.057 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.078 -9.467 -6.728 1.00 1.00 H new ATOM 301 N LEU A 19 8.910 -9.959 -4.258 1.00 1.00 N ATOM 302 CA LEU A 19 8.739 -10.869 -3.122 1.00 1.00 C ATOM 303 C LEU A 19 7.378 -11.536 -3.169 1.00 1.00 C ATOM 304 O LEU A 19 6.654 -11.422 -4.155 1.00 1.00 O ATOM 305 CB LEU A 19 8.906 -10.081 -1.810 1.00 1.00 C ATOM 306 CG LEU A 19 10.253 -10.419 -1.160 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.397 -10.133 -2.151 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.428 -9.575 0.110 1.00 1.00 C ATOM 0 H LEU A 19 8.157 -9.280 -4.372 1.00 1.00 H new ATOM 0 HA LEU A 19 9.497 -11.650 -3.174 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.848 -9.011 -2.010 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.093 -10.322 -1.126 1.00 1.00 H new ATOM 0 HG LEU A 19 10.277 -11.476 -0.895 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.352 -10.375 -1.684 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.265 -10.743 -3.045 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.385 -9.078 -2.426 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.385 -9.812 0.576 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.403 -8.517 -0.150 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.620 -9.796 0.808 1.00 1.00 H new ATOM 320 N GLY A 20 7.030 -12.215 -2.076 1.00 1.00 N ATOM 321 CA GLY A 20 5.736 -12.889 -1.980 1.00 1.00 C ATOM 322 C GLY A 20 5.882 -14.372 -2.282 1.00 1.00 C ATOM 323 O GLY A 20 4.890 -15.084 -2.408 1.00 1.00 O ATOM 0 H GLY A 20 7.621 -12.312 -1.251 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.323 -12.755 -0.980 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.032 -12.438 -2.679 1.00 1.00 H new ATOM 327 N ALA A 21 7.126 -14.834 -2.391 1.00 1.00 N ATOM 328 CA ALA A 21 7.385 -16.241 -2.674 1.00 1.00 C ATOM 329 C ALA A 21 7.442 -17.038 -1.377 1.00 1.00 C ATOM 330 O ALA A 21 6.458 -17.659 -0.977 1.00 1.00 O ATOM 331 CB ALA A 21 8.711 -16.387 -3.420 1.00 1.00 C ATOM 0 H ALA A 21 7.962 -14.259 -2.288 1.00 1.00 H new ATOM 0 HA ALA A 21 6.576 -16.626 -3.294 1.00 1.00 H new ATOM 0 HB1 ALA A 21 8.897 -17.441 -3.628 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.663 -15.835 -4.359 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.519 -15.990 -2.806 1.00 1.00 H new ATOM 337 N ASP A 22 8.597 -17.014 -0.719 1.00 1.00 N ATOM 338 CA ASP A 22 8.771 -17.738 0.540 1.00 1.00 C ATOM 339 C ASP A 22 8.611 -16.797 1.726 1.00 1.00 C ATOM 340 O ASP A 22 8.738 -17.209 2.878 1.00 1.00 O ATOM 341 CB ASP A 22 10.153 -18.389 0.581 1.00 1.00 C ATOM 342 CG ASP A 22 10.243 -19.493 -0.466 1.00 1.00 C ATOM 343 OD1 ASP A 22 9.204 -19.885 -0.975 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.347 -19.929 -0.747 1.00 1.00 O ATOM 0 H ASP A 22 9.423 -16.505 -1.033 1.00 1.00 H new ATOM 0 HA ASP A 22 8.005 -18.511 0.602 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.922 -17.639 0.397 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.340 -18.801 1.573 1.00 1.00 H new ATOM 349 N VAL A 23 8.342 -15.526 1.437 1.00 1.00 N ATOM 350 CA VAL A 23 8.175 -14.529 2.492 1.00 1.00 C ATOM 351 C VAL A 23 6.715 -14.444 2.920 1.00 1.00 C ATOM 352 O VAL A 23 5.817 -14.334 2.085 1.00 1.00 O ATOM 353 CB VAL A 23 8.643 -13.161 1.994 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.683 -12.179 3.166 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.045 -13.291 1.388 1.00 1.00 C ATOM 0 H VAL A 23 8.236 -15.164 0.489 1.00 1.00 H new ATOM 0 HA VAL A 23 8.777 -14.829 3.350 1.00 1.00 H new ATOM 0 HB VAL A 23 7.952 -12.794 1.235 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.017 -11.203 2.812 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.686 -12.087 3.598 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.375 -12.546 3.924 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.380 -12.316 1.033 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.737 -13.658 2.146 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.017 -13.991 0.553 1.00 1.00 H new ATOM 365 N VAL A 24 6.484 -14.500 4.226 1.00 1.00 N ATOM 366 CA VAL A 24 5.131 -14.430 4.757 1.00 1.00 C ATOM 367 C VAL A 24 4.574 -13.022 4.612 1.00 1.00 C ATOM 368 O VAL A 24 5.276 -12.040 4.850 1.00 1.00 O ATOM 369 CB VAL A 24 5.124 -14.828 6.232 1.00 1.00 C ATOM 370 CG1 VAL A 24 5.939 -13.814 7.039 1.00 1.00 C ATOM 371 CG2 VAL A 24 3.682 -14.848 6.752 1.00 1.00 C ATOM 0 H VAL A 24 7.213 -14.593 4.933 1.00 1.00 H new ATOM 0 HA VAL A 24 4.505 -15.121 4.192 1.00 1.00 H new ATOM 0 HB VAL A 24 5.564 -15.819 6.340 1.00 1.00 H new ATOM 0 HG11 VAL A 24 5.934 -14.098 8.091 1.00 1.00 H new ATOM 0 HG12 VAL A 24 6.965 -13.798 6.672 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.499 -12.823 6.929 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.679 -15.132 7.804 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.242 -13.857 6.642 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.099 -15.569 6.180 1.00 1.00 H new ATOM 381 N VAL A 25 3.306 -12.927 4.225 1.00 1.00 N ATOM 382 CA VAL A 25 2.652 -11.632 4.053 1.00 1.00 C ATOM 383 C VAL A 25 1.563 -11.447 5.104 1.00 1.00 C ATOM 384 O VAL A 25 0.729 -12.326 5.314 1.00 1.00 O ATOM 385 CB VAL A 25 2.047 -11.535 2.643 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.984 -10.422 2.612 1.00 1.00 C ATOM 387 CG2 VAL A 25 3.144 -11.210 1.640 1.00 1.00 C ATOM 0 H VAL A 25 2.710 -13.730 4.024 1.00 1.00 H new ATOM 0 HA VAL A 25 3.394 -10.843 4.177 1.00 1.00 H new ATOM 0 HB VAL A 25 1.585 -12.487 2.384 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.556 -10.355 1.612 1.00 1.00 H new ATOM 0 HG12 VAL A 25 0.196 -10.652 3.329 1.00 1.00 H new ATOM 0 HG13 VAL A 25 1.446 -9.470 2.874 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.714 -11.141 0.641 1.00 1.00 H new ATOM 0 HG22 VAL A 25 3.607 -10.259 1.902 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.898 -11.997 1.658 1.00 1.00 H new ATOM 397 N THR A 26 1.564 -10.281 5.743 1.00 1.00 N ATOM 398 CA THR A 26 0.561 -9.968 6.759 1.00 1.00 C ATOM 399 C THR A 26 0.077 -8.531 6.611 1.00 1.00 C ATOM 400 O THR A 26 0.672 -7.732 5.889 1.00 1.00 O ATOM 401 CB THR A 26 1.153 -10.175 8.148 1.00 1.00 C ATOM 402 OG1 THR A 26 2.381 -9.472 8.245 1.00 1.00 O ATOM 403 CG2 THR A 26 1.395 -11.663 8.385 1.00 1.00 C ATOM 0 H THR A 26 2.244 -9.539 5.577 1.00 1.00 H new ATOM 0 HA THR A 26 -0.290 -10.635 6.625 1.00 1.00 H new ATOM 0 HB THR A 26 0.458 -9.800 8.899 1.00 1.00 H new ATOM 0 HG1 THR A 26 2.763 -9.602 9.138 1.00 1.00 H new ATOM 0 HG21 THR A 26 1.818 -11.809 9.379 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.450 -12.202 8.310 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.089 -12.043 7.635 1.00 1.00 H new ATOM 411 N ALA A 27 -1.013 -8.209 7.298 1.00 1.00 N ATOM 412 CA ALA A 27 -1.575 -6.865 7.239 1.00 1.00 C ATOM 413 C ALA A 27 -0.892 -5.952 8.254 1.00 1.00 C ATOM 414 O ALA A 27 -0.715 -4.760 8.015 1.00 1.00 O ATOM 415 CB ALA A 27 -3.083 -6.918 7.526 1.00 1.00 C ATOM 0 H ALA A 27 -1.523 -8.856 7.899 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.408 -6.464 6.239 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.498 -5.911 7.481 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.573 -7.546 6.782 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -3.250 -7.335 8.519 1.00 1.00 H new ATOM 421 N ASP A 28 -0.540 -6.515 9.400 1.00 1.00 N ATOM 422 CA ASP A 28 0.094 -5.736 10.456 1.00 1.00 C ATOM 423 C ASP A 28 1.576 -5.550 10.163 1.00 1.00 C ATOM 424 O ASP A 28 2.296 -4.913 10.933 1.00 1.00 O ATOM 425 CB ASP A 28 -0.081 -6.439 11.805 1.00 1.00 C ATOM 426 CG ASP A 28 0.317 -5.503 12.940 1.00 1.00 C ATOM 427 OD1 ASP A 28 0.725 -4.390 12.649 1.00 1.00 O ATOM 428 OD2 ASP A 28 0.212 -5.912 14.085 1.00 1.00 O ATOM 0 H ASP A 28 -0.681 -7.500 9.623 1.00 1.00 H new ATOM 0 HA ASP A 28 -0.383 -4.757 10.497 1.00 1.00 H new ATOM 0 HB2 ASP A 28 -1.118 -6.752 11.929 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.531 -7.341 11.836 1.00 1.00 H new ATOM 433 N SER A 29 2.027 -6.117 9.051 1.00 1.00 N ATOM 434 CA SER A 29 3.431 -6.011 8.671 1.00 1.00 C ATOM 435 C SER A 29 3.709 -4.660 8.019 1.00 1.00 C ATOM 436 O SER A 29 3.498 -4.484 6.820 1.00 1.00 O ATOM 437 CB SER A 29 3.793 -7.136 7.695 1.00 1.00 C ATOM 438 OG SER A 29 4.806 -6.684 6.804 1.00 1.00 O ATOM 0 H SER A 29 1.448 -6.650 8.402 1.00 1.00 H new ATOM 0 HA SER A 29 4.040 -6.099 9.570 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.141 -8.011 8.245 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.910 -7.443 7.134 1.00 1.00 H new ATOM 0 HG SER A 29 4.469 -5.925 6.283 1.00 1.00 H new ATOM 444 N GLU A 30 4.189 -3.714 8.817 1.00 1.00 N ATOM 445 CA GLU A 30 4.495 -2.384 8.308 1.00 1.00 C ATOM 446 C GLU A 30 5.253 -2.477 6.985 1.00 1.00 C ATOM 447 O GLU A 30 6.300 -3.121 6.902 1.00 1.00 O ATOM 448 CB GLU A 30 5.343 -1.622 9.327 1.00 1.00 C ATOM 449 CG GLU A 30 4.510 -1.332 10.575 1.00 1.00 C ATOM 450 CD GLU A 30 5.390 -0.740 11.667 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.578 -0.595 11.431 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.863 -0.437 12.726 1.00 1.00 O ATOM 0 H GLU A 30 4.374 -3.842 9.812 1.00 1.00 H new ATOM 0 HA GLU A 30 3.558 -1.854 8.141 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.223 -2.208 9.593 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.701 -0.689 8.892 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.705 -0.639 10.331 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.043 -2.250 10.931 1.00 1.00 H new ATOM 600 N THR A 41 7.558 7.223 -2.091 1.00 1.00 N ATOM 601 CA THR A 41 6.117 7.211 -1.875 1.00 1.00 C ATOM 602 C THR A 41 5.371 7.337 -3.199 1.00 1.00 C ATOM 603 O THR A 41 4.263 6.824 -3.349 1.00 1.00 O ATOM 604 CB THR A 41 5.714 8.361 -0.949 1.00 1.00 C ATOM 605 OG1 THR A 41 6.521 8.333 0.219 1.00 1.00 O ATOM 606 CG2 THR A 41 4.239 8.223 -0.562 1.00 1.00 C ATOM 0 HA THR A 41 5.850 6.261 -1.411 1.00 1.00 H new ATOM 0 HB THR A 41 5.859 9.309 -1.467 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.375 7.896 0.016 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.957 9.044 0.097 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.623 8.251 -1.461 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.085 7.275 -0.047 1.00 1.00 H new ATOM 614 N VAL A 42 5.984 8.030 -4.152 1.00 1.00 N ATOM 615 CA VAL A 42 5.372 8.225 -5.459 1.00 1.00 C ATOM 616 C VAL A 42 5.212 6.889 -6.171 1.00 1.00 C ATOM 617 O VAL A 42 4.268 6.683 -6.918 1.00 1.00 O ATOM 618 CB VAL A 42 6.231 9.161 -6.308 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.615 9.296 -7.704 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.290 10.538 -5.642 1.00 1.00 C ATOM 0 H VAL A 42 6.901 8.464 -4.044 1.00 1.00 H new ATOM 0 HA VAL A 42 4.388 8.672 -5.318 1.00 1.00 H new ATOM 0 HB VAL A 42 7.238 8.753 -6.394 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.228 9.964 -8.309 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.570 8.316 -8.178 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.608 9.705 -7.619 1.00 1.00 H new ATOM 0 HG21 VAL A 42 6.902 11.208 -6.245 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.282 10.945 -5.557 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.728 10.443 -4.648 1.00 1.00 H new ATOM 630 N GLU A 43 6.155 5.985 -5.949 1.00 1.00 N ATOM 631 CA GLU A 43 6.102 4.673 -6.581 1.00 1.00 C ATOM 632 C GLU A 43 5.011 3.809 -5.958 1.00 1.00 C ATOM 633 O GLU A 43 4.208 3.198 -6.662 1.00 1.00 O ATOM 634 CB GLU A 43 7.455 3.972 -6.433 1.00 1.00 C ATOM 635 CG GLU A 43 8.504 4.704 -7.272 1.00 1.00 C ATOM 636 CD GLU A 43 9.878 4.083 -7.047 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.971 3.164 -6.250 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.823 4.540 -7.672 1.00 1.00 O ATOM 0 H GLU A 43 6.961 6.133 -5.341 1.00 1.00 H new ATOM 0 HA GLU A 43 5.872 4.813 -7.637 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.757 3.958 -5.386 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.376 2.934 -6.756 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.240 4.649 -8.328 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.525 5.760 -7.003 1.00 1.00 H new ATOM 645 N ILE A 44 5.014 3.733 -4.630 1.00 1.00 N ATOM 646 CA ILE A 44 4.038 2.912 -3.924 1.00 1.00 C ATOM 647 C ILE A 44 2.624 3.420 -4.146 1.00 1.00 C ATOM 648 O ILE A 44 1.723 2.648 -4.474 1.00 1.00 O ATOM 649 CB ILE A 44 4.345 2.918 -2.423 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.819 2.550 -2.200 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.458 1.892 -1.715 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.125 1.181 -2.814 1.00 1.00 C ATOM 0 H ILE A 44 5.674 4.225 -4.027 1.00 1.00 H new ATOM 0 HA ILE A 44 4.107 1.898 -4.317 1.00 1.00 H new ATOM 0 HB ILE A 44 4.150 3.911 -2.019 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.462 3.308 -2.647 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.039 2.535 -1.133 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.677 1.897 -0.647 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.410 2.147 -1.872 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.654 0.900 -2.121 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.174 0.934 -2.648 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.495 0.424 -2.347 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.924 1.209 -3.885 1.00 1.00 H new ATOM 664 N VAL A 45 2.431 4.717 -3.952 1.00 1.00 N ATOM 665 CA VAL A 45 1.113 5.311 -4.114 1.00 1.00 C ATOM 666 C VAL A 45 0.600 5.112 -5.537 1.00 1.00 C ATOM 667 O VAL A 45 -0.564 4.771 -5.745 1.00 1.00 O ATOM 668 CB VAL A 45 1.175 6.810 -3.799 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.906 7.545 -4.925 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.242 7.364 -3.664 1.00 1.00 C ATOM 0 H VAL A 45 3.165 5.373 -3.684 1.00 1.00 H new ATOM 0 HA VAL A 45 0.429 4.819 -3.423 1.00 1.00 H new ATOM 0 HB VAL A 45 1.713 6.958 -2.863 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.948 8.610 -4.697 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.919 7.154 -5.017 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.372 7.395 -5.864 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.196 8.430 -3.440 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.782 7.212 -4.598 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.760 6.846 -2.857 1.00 1.00 H new ATOM 680 N MET A 46 1.472 5.354 -6.509 1.00 1.00 N ATOM 681 CA MET A 46 1.095 5.223 -7.906 1.00 1.00 C ATOM 682 C MET A 46 0.714 3.781 -8.222 1.00 1.00 C ATOM 683 O MET A 46 -0.205 3.531 -9.002 1.00 1.00 O ATOM 684 CB MET A 46 2.246 5.664 -8.808 1.00 1.00 C ATOM 685 CG MET A 46 1.753 5.812 -10.241 1.00 1.00 C ATOM 686 SD MET A 46 0.806 7.353 -10.398 1.00 1.00 S ATOM 687 CE MET A 46 -0.799 6.610 -10.776 1.00 1.00 C ATOM 0 H MET A 46 2.439 5.640 -6.354 1.00 1.00 H new ATOM 0 HA MET A 46 0.233 5.864 -8.091 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.654 6.611 -8.455 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.054 4.933 -8.766 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.598 5.820 -10.929 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.130 4.960 -10.512 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.575 7.373 -10.721 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.777 6.187 -11.780 1.00 1.00 H new ATOM 0 HE3 MET A 46 -1.014 5.821 -10.055 1.00 1.00 H new ATOM 697 N ASN A 47 1.437 2.840 -7.627 1.00 1.00 N ATOM 698 CA ASN A 47 1.169 1.427 -7.868 1.00 1.00 C ATOM 699 C ASN A 47 -0.236 1.064 -7.406 1.00 1.00 C ATOM 700 O ASN A 47 -0.994 0.428 -8.136 1.00 1.00 O ATOM 701 CB ASN A 47 2.202 0.573 -7.124 1.00 1.00 C ATOM 702 CG ASN A 47 2.292 -0.811 -7.757 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.331 -1.464 -7.682 1.00 1.00 O ATOM 704 ND2 ASN A 47 1.259 -1.298 -8.382 1.00 1.00 N ATOM 0 H ASN A 47 2.205 3.026 -6.982 1.00 1.00 H new ATOM 0 HA ASN A 47 1.242 1.232 -8.938 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.177 1.059 -7.154 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.923 0.484 -6.074 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.311 -2.222 -8.810 1.00 1.00 H new ATOM 0 HD22 ASN A 47 0.398 -0.755 -8.443 1.00 1.00 H new ATOM 711 N LEU A 48 -0.579 1.475 -6.193 1.00 1.00 N ATOM 712 CA LEU A 48 -1.904 1.188 -5.650 1.00 1.00 C ATOM 713 C LEU A 48 -2.976 1.912 -6.448 1.00 1.00 C ATOM 714 O LEU A 48 -3.974 1.318 -6.848 1.00 1.00 O ATOM 715 CB LEU A 48 -1.970 1.638 -4.184 1.00 1.00 C ATOM 716 CG LEU A 48 -0.799 1.022 -3.396 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.515 1.865 -2.153 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.160 -0.407 -2.969 1.00 1.00 C ATOM 0 H LEU A 48 0.033 2.003 -5.570 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.081 0.114 -5.715 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.927 2.726 -4.126 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.918 1.332 -3.742 1.00 1.00 H new ATOM 0 HG LEU A 48 0.087 1.000 -4.030 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.314 1.426 -1.598 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.254 2.880 -2.453 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.402 1.891 -1.520 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.330 -0.841 -2.412 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.049 -0.385 -2.338 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.358 -1.012 -3.854 1.00 1.00 H new ATOM 730 N GLU A 49 -2.760 3.198 -6.686 1.00 1.00 N ATOM 731 CA GLU A 49 -3.722 3.994 -7.437 1.00 1.00 C ATOM 732 C GLU A 49 -3.887 3.439 -8.847 1.00 1.00 C ATOM 733 O GLU A 49 -4.977 3.481 -9.417 1.00 1.00 O ATOM 734 CB GLU A 49 -3.253 5.449 -7.509 1.00 1.00 C ATOM 735 CG GLU A 49 -4.383 6.322 -8.054 1.00 1.00 C ATOM 736 CD GLU A 49 -3.911 7.769 -8.176 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.894 8.090 -7.584 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.570 8.534 -8.861 1.00 1.00 O ATOM 0 H GLU A 49 -1.935 3.710 -6.373 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.683 3.949 -6.926 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.956 5.796 -6.519 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.376 5.528 -8.151 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.703 5.952 -9.028 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.248 6.267 -7.393 1.00 1.00 H new ATOM 745 N GLU A 50 -2.797 2.927 -9.406 1.00 1.00 N ATOM 746 CA GLU A 50 -2.835 2.368 -10.751 1.00 1.00 C ATOM 747 C GLU A 50 -3.477 0.985 -10.740 1.00 1.00 C ATOM 748 O GLU A 50 -4.368 0.699 -11.543 1.00 1.00 O ATOM 749 CB GLU A 50 -1.416 2.273 -11.318 1.00 1.00 C ATOM 750 CG GLU A 50 -1.477 1.875 -12.797 1.00 1.00 C ATOM 751 CD GLU A 50 -2.059 3.021 -13.618 1.00 1.00 C ATOM 752 OE1 GLU A 50 -2.218 4.101 -13.069 1.00 1.00 O ATOM 753 OE2 GLU A 50 -2.329 2.805 -14.787 1.00 1.00 O ATOM 0 H GLU A 50 -1.884 2.887 -8.953 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.433 3.026 -11.381 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.906 3.230 -11.210 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.838 1.538 -10.757 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.479 1.628 -13.158 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.090 0.982 -12.917 1.00 1.00 H new ATOM 760 N GLU A 51 -3.010 0.127 -9.836 1.00 1.00 N ATOM 761 CA GLU A 51 -3.542 -1.228 -9.745 1.00 1.00 C ATOM 762 C GLU A 51 -5.035 -1.196 -9.434 1.00 1.00 C ATOM 763 O GLU A 51 -5.845 -1.755 -10.171 1.00 1.00 O ATOM 764 CB GLU A 51 -2.808 -1.996 -8.646 1.00 1.00 C ATOM 765 CG GLU A 51 -3.160 -3.484 -8.739 1.00 1.00 C ATOM 766 CD GLU A 51 -2.454 -4.110 -9.936 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.652 -3.425 -10.550 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.724 -5.264 -10.220 1.00 1.00 O ATOM 0 H GLU A 51 -2.273 0.343 -9.164 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.393 -1.726 -10.703 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.732 -1.859 -8.749 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.087 -1.606 -7.667 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.863 -3.995 -7.823 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.239 -3.606 -8.837 1.00 1.00 H new ATOM 775 N PHE A 52 -5.390 -0.529 -8.342 1.00 1.00 N ATOM 776 CA PHE A 52 -6.790 -0.421 -7.942 1.00 1.00 C ATOM 777 C PHE A 52 -7.565 0.431 -8.939 1.00 1.00 C ATOM 778 O PHE A 52 -8.744 0.183 -9.196 1.00 1.00 O ATOM 779 CB PHE A 52 -6.892 0.189 -6.544 1.00 1.00 C ATOM 780 CG PHE A 52 -6.398 -0.806 -5.518 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.091 -2.010 -5.322 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.250 -0.533 -4.765 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.634 -2.931 -4.374 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.796 -1.450 -3.823 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.486 -2.648 -3.627 1.00 1.00 C ATOM 0 H PHE A 52 -4.733 -0.057 -7.720 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.224 -1.421 -7.926 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.302 1.104 -6.492 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.925 0.464 -6.331 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.976 -2.225 -5.902 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.715 0.393 -4.916 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.166 -3.858 -4.219 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.910 -1.236 -3.243 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.132 -3.359 -2.895 1.00 1.00 H new ATOM 795 N GLY A 53 -6.900 1.443 -9.487 1.00 1.00 N ATOM 796 CA GLY A 53 -7.541 2.333 -10.449 1.00 1.00 C ATOM 797 C GLY A 53 -8.364 3.396 -9.738 1.00 1.00 C ATOM 798 O GLY A 53 -9.470 3.724 -10.166 1.00 1.00 O ATOM 0 H GLY A 53 -5.926 1.666 -9.284 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.783 2.809 -11.071 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.182 1.755 -11.114 1.00 1.00 H new ATOM 802 N ILE A 54 -7.825 3.928 -8.645 1.00 1.00 N ATOM 803 CA ILE A 54 -8.521 4.957 -7.869 1.00 1.00 C ATOM 804 C ILE A 54 -7.767 6.276 -7.934 1.00 1.00 C ATOM 805 O ILE A 54 -6.997 6.513 -8.865 1.00 1.00 O ATOM 806 CB ILE A 54 -8.649 4.503 -6.418 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.265 4.164 -5.858 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.554 3.271 -6.340 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.367 3.819 -4.367 1.00 1.00 C ATOM 0 H ILE A 54 -6.911 3.667 -8.275 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.514 5.106 -8.293 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.087 5.308 -5.828 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.839 3.323 -6.405 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.591 5.009 -5.998 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.643 2.950 -5.302 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.542 3.520 -6.729 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.123 2.465 -6.934 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.376 3.580 -3.980 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.773 4.672 -3.823 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -8.025 2.960 -4.237 1.00 1.00 H new ATOM 821 N ASN A 55 -7.994 7.139 -6.946 1.00 1.00 N ATOM 822 CA ASN A 55 -7.331 8.436 -6.895 1.00 1.00 C ATOM 823 C ASN A 55 -6.825 8.714 -5.490 1.00 1.00 C ATOM 824 O ASN A 55 -7.611 8.916 -4.564 1.00 1.00 O ATOM 825 CB ASN A 55 -8.302 9.531 -7.319 1.00 1.00 C ATOM 826 CG ASN A 55 -9.419 9.671 -6.289 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.890 8.604 -5.702 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -9.867 10.780 -6.006 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.633 6.962 -6.171 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.482 8.423 -7.579 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.772 10.478 -7.422 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.725 9.294 -8.295 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.497 11.612 -6.466 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -10.608 10.868 -5.311 1.00 1.00 H new ATOM 835 N VAL A 56 -5.504 8.711 -5.326 1.00 1.00 N ATOM 836 CA VAL A 56 -4.897 8.956 -4.017 1.00 1.00 C ATOM 837 C VAL A 56 -4.184 10.301 -3.999 1.00 1.00 C ATOM 838 O VAL A 56 -3.386 10.607 -4.885 1.00 1.00 O ATOM 839 CB VAL A 56 -3.895 7.845 -3.696 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.283 8.095 -2.312 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.614 6.490 -3.703 1.00 1.00 C ATOM 0 H VAL A 56 -4.835 8.543 -6.078 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.687 8.967 -3.266 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.105 7.839 -4.447 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.569 7.304 -2.082 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.772 9.058 -2.309 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.073 8.101 -1.561 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.901 5.698 -3.474 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.405 6.494 -2.953 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.049 6.314 -4.687 1.00 1.00 H new ATOM 851 N ASP A 57 -4.475 11.103 -2.979 1.00 1.00 N ATOM 852 CA ASP A 57 -3.853 12.417 -2.846 1.00 1.00 C ATOM 853 C ASP A 57 -2.564 12.313 -2.037 1.00 1.00 C ATOM 854 O ASP A 57 -2.357 11.351 -1.298 1.00 1.00 O ATOM 855 CB ASP A 57 -4.814 13.382 -2.151 1.00 1.00 C ATOM 856 CG ASP A 57 -4.313 14.814 -2.307 1.00 1.00 C ATOM 857 OD1 ASP A 57 -3.781 15.124 -3.361 1.00 1.00 O ATOM 858 OD2 ASP A 57 -4.464 15.579 -1.369 1.00 1.00 O ATOM 0 H ASP A 57 -5.134 10.868 -2.236 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.619 12.793 -3.842 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.812 13.288 -2.580 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.896 13.129 -1.094 1.00 1.00 H new ATOM 863 N GLU A 58 -1.701 13.311 -2.181 1.00 1.00 N ATOM 864 CA GLU A 58 -0.434 13.325 -1.456 1.00 1.00 C ATOM 865 C GLU A 58 -0.677 13.430 0.044 1.00 1.00 C ATOM 866 O GLU A 58 0.025 12.806 0.839 1.00 1.00 O ATOM 867 CB GLU A 58 0.417 14.506 -1.922 1.00 1.00 C ATOM 868 CG GLU A 58 0.833 14.302 -3.388 1.00 1.00 C ATOM 869 CD GLU A 58 -0.311 14.707 -4.316 1.00 1.00 C ATOM 870 OE1 GLU A 58 -1.369 15.041 -3.813 1.00 1.00 O ATOM 871 OE2 GLU A 58 -0.099 14.700 -5.515 1.00 1.00 O ATOM 0 H GLU A 58 -1.852 14.116 -2.788 1.00 1.00 H new ATOM 0 HA GLU A 58 0.093 12.393 -1.661 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.145 15.434 -1.820 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.302 14.599 -1.293 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.720 14.896 -3.609 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.098 13.258 -3.558 1.00 1.00 H new ATOM 878 N ASP A 59 -1.673 14.222 0.421 1.00 1.00 N ATOM 879 CA ASP A 59 -2.002 14.403 1.830 1.00 1.00 C ATOM 880 C ASP A 59 -2.558 13.115 2.417 1.00 1.00 C ATOM 881 O ASP A 59 -2.602 12.942 3.636 1.00 1.00 O ATOM 882 CB ASP A 59 -3.023 15.526 1.991 1.00 1.00 C ATOM 883 CG ASP A 59 -3.123 15.937 3.457 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.130 16.411 3.986 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.187 15.770 4.028 1.00 1.00 O ATOM 0 H ASP A 59 -2.264 14.746 -0.224 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.090 14.668 2.365 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -2.731 16.383 1.384 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.997 15.197 1.630 1.00 1.00 H new ATOM 890 N LYS A 60 -2.990 12.211 1.546 1.00 1.00 N ATOM 891 CA LYS A 60 -3.542 10.938 1.989 1.00 1.00 C ATOM 892 C LYS A 60 -2.456 9.875 2.045 1.00 1.00 C ATOM 893 O LYS A 60 -2.531 8.939 2.839 1.00 1.00 O ATOM 894 CB LYS A 60 -4.653 10.486 1.034 1.00 1.00 C ATOM 895 CG LYS A 60 -5.569 9.473 1.750 1.00 1.00 C ATOM 896 CD LYS A 60 -6.679 10.221 2.495 1.00 1.00 C ATOM 897 CE LYS A 60 -7.606 9.216 3.168 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.694 9.945 3.875 1.00 1.00 N ATOM 0 H LYS A 60 -2.969 12.335 0.534 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.956 11.073 2.988 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.234 11.347 0.703 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.219 10.033 0.143 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.004 8.785 1.025 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.988 8.873 2.450 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.246 10.888 3.240 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.243 10.843 1.800 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.029 8.540 2.425 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.045 8.603 3.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.328 9.261 4.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.281 10.573 4.594 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.234 10.512 3.190 1.00 1.00 H new ATOM 912 N ALA A 61 -1.448 10.022 1.189 1.00 1.00 N ATOM 913 CA ALA A 61 -0.341 9.063 1.138 1.00 1.00 C ATOM 914 C ALA A 61 0.935 9.705 1.649 1.00 1.00 C ATOM 915 O ALA A 61 1.974 9.628 1.001 1.00 1.00 O ATOM 916 CB ALA A 61 -0.132 8.576 -0.294 1.00 1.00 C ATOM 0 H ALA A 61 -1.372 10.791 0.523 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.591 8.213 1.773 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.693 7.864 -0.319 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.041 8.091 -0.650 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.101 9.425 -0.937 1.00 1.00 H new ATOM 922 N GLN A 62 0.854 10.343 2.814 1.00 1.00 N ATOM 923 CA GLN A 62 2.020 11.004 3.411 1.00 1.00 C ATOM 924 C GLN A 62 2.377 10.359 4.742 1.00 1.00 C ATOM 925 O GLN A 62 3.541 10.340 5.139 1.00 1.00 O ATOM 926 CB GLN A 62 1.728 12.488 3.622 1.00 1.00 C ATOM 927 CG GLN A 62 0.385 12.648 4.333 1.00 1.00 C ATOM 928 CD GLN A 62 0.115 14.123 4.612 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.720 14.994 3.988 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.762 14.457 5.520 1.00 1.00 N ATOM 0 H GLN A 62 -0.001 10.418 3.364 1.00 1.00 H new ATOM 0 HA GLN A 62 2.864 10.895 2.730 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.521 12.945 4.214 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.707 13.005 2.663 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.413 12.234 3.717 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.390 12.088 5.268 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.262 13.733 6.036 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.947 15.441 5.713 1.00 1.00 H new ATOM 939 N ASP A 63 1.369 9.834 5.432 1.00 1.00 N ATOM 940 CA ASP A 63 1.589 9.192 6.726 1.00 1.00 C ATOM 941 C ASP A 63 0.606 8.051 6.935 1.00 1.00 C ATOM 942 O ASP A 63 -0.164 8.049 7.895 1.00 1.00 O ATOM 943 CB ASP A 63 1.428 10.218 7.848 1.00 1.00 C ATOM 944 CG ASP A 63 1.762 9.578 9.192 1.00 1.00 C ATOM 945 OD1 ASP A 63 1.962 8.374 9.219 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.813 10.299 10.174 1.00 1.00 O ATOM 0 H ASP A 63 0.398 9.839 5.121 1.00 1.00 H new ATOM 0 HA ASP A 63 2.601 8.788 6.742 1.00 1.00 H new ATOM 0 HB2 ASP A 63 2.083 11.071 7.669 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.406 10.598 7.861 1.00 1.00 H new ATOM 951 N ILE A 64 0.643 7.073 6.038 1.00 1.00 N ATOM 952 CA ILE A 64 -0.241 5.914 6.140 1.00 1.00 C ATOM 953 C ILE A 64 0.397 4.822 6.982 1.00 1.00 C ATOM 954 O ILE A 64 1.534 4.425 6.742 1.00 1.00 O ATOM 955 CB ILE A 64 -0.555 5.368 4.742 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.328 6.424 3.943 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.398 4.100 4.859 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.660 6.762 4.643 1.00 1.00 C ATOM 0 H ILE A 64 1.272 7.057 5.235 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.166 6.232 6.622 1.00 1.00 H new ATOM 0 HB ILE A 64 0.378 5.133 4.230 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.724 7.326 3.842 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.523 6.056 2.936 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.618 3.716 3.863 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.847 3.348 5.424 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.331 4.330 5.374 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.196 7.513 4.062 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.269 5.861 4.721 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.458 7.151 5.641 1.00 1.00 H new ATOM 970 N SER A 65 -0.354 4.334 7.961 1.00 1.00 N ATOM 971 CA SER A 65 0.131 3.269 8.836 1.00 1.00 C ATOM 972 C SER A 65 0.367 1.993 8.042 1.00 1.00 C ATOM 973 O SER A 65 0.333 2.011 6.818 1.00 1.00 O ATOM 974 CB SER A 65 -0.861 3.015 9.973 1.00 1.00 C ATOM 975 OG SER A 65 -0.145 2.783 11.177 1.00 1.00 O ATOM 0 H SER A 65 -1.299 4.656 8.171 1.00 1.00 H new ATOM 0 HA SER A 65 1.079 3.586 9.270 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.525 3.872 10.090 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.489 2.155 9.738 1.00 1.00 H new ATOM 0 HG SER A 65 -0.778 2.622 11.908 1.00 1.00 H new ATOM 981 N THR A 66 0.618 0.901 8.754 1.00 1.00 N ATOM 982 CA THR A 66 0.865 -0.384 8.110 1.00 1.00 C ATOM 983 C THR A 66 -0.165 -0.652 7.016 1.00 1.00 C ATOM 984 O THR A 66 -0.991 0.197 6.687 1.00 1.00 O ATOM 985 CB THR A 66 0.810 -1.511 9.147 1.00 1.00 C ATOM 986 OG1 THR A 66 0.809 -2.768 8.485 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.457 -1.378 9.994 1.00 1.00 C ATOM 0 H THR A 66 0.656 0.879 9.773 1.00 1.00 H new ATOM 0 HA THR A 66 1.856 -0.350 7.658 1.00 1.00 H new ATOM 0 HB THR A 66 1.683 -1.442 9.796 1.00 1.00 H new ATOM 0 HG1 THR A 66 -0.066 -3.195 8.595 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.489 -2.182 10.729 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.452 -0.417 10.508 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.334 -1.440 9.349 1.00 1.00 H new ATOM 995 N ILE A 67 -0.116 -1.845 6.450 1.00 1.00 N ATOM 996 CA ILE A 67 -1.034 -2.207 5.383 1.00 1.00 C ATOM 997 C ILE A 67 -2.479 -2.107 5.857 1.00 1.00 C ATOM 998 O ILE A 67 -3.352 -1.654 5.115 1.00 1.00 O ATOM 999 CB ILE A 67 -0.747 -3.631 4.900 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.605 -3.666 4.182 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.847 -4.086 3.937 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.057 -5.120 4.007 1.00 1.00 C ATOM 0 H ILE A 67 0.546 -2.577 6.709 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.888 -1.511 4.557 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.722 -4.301 5.759 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.524 -3.180 3.210 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.347 -3.110 4.755 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.636 -5.100 3.597 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.809 -4.067 4.449 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.879 -3.415 3.079 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.019 -5.143 3.496 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.154 -5.591 4.985 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.319 -5.662 3.415 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.730 -2.552 7.080 1.00 1.00 N ATOM 1015 CA GLN A 68 -4.083 -2.523 7.628 1.00 1.00 C ATOM 1016 C GLN A 68 -4.783 -1.217 7.274 1.00 1.00 C ATOM 1017 O GLN A 68 -5.848 -1.222 6.657 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.022 -2.672 9.151 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.711 -4.127 9.517 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.984 -4.967 9.462 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.444 -5.365 8.309 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -5.591 -5.240 10.497 1.00 1.00 N flip ATOM 0 H GLN A 68 -2.023 -2.934 7.708 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.649 -3.349 7.196 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.256 -2.013 9.560 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.971 -2.371 9.594 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.969 -4.532 8.829 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.278 -4.174 10.516 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.229 -4.928 11.398 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -6.456 -5.779 10.454 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.175 -0.100 7.656 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.753 1.203 7.360 1.00 1.00 C ATOM 1033 C GLN A 69 -4.772 1.458 5.861 1.00 1.00 C ATOM 1034 O GLN A 69 -5.767 1.930 5.317 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.941 2.301 8.057 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.299 2.341 9.546 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.718 2.869 9.726 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.110 3.903 9.032 1.00 1.00 O flip ATOM 1039 NE2 GLN A 69 -6.489 2.326 10.514 1.00 1.00 N flip ATOM 0 H GLN A 69 -3.292 -0.070 8.166 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.779 1.216 7.728 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.875 2.112 7.934 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.148 3.267 7.597 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.216 1.343 9.976 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.594 2.978 10.081 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.180 1.518 11.055 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.438 2.683 10.627 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.662 1.152 5.197 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.567 1.369 3.760 1.00 1.00 C ATOM 1050 C ALA A 70 -4.706 0.669 3.031 1.00 1.00 C ATOM 1051 O ALA A 70 -5.354 1.256 2.164 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.228 0.840 3.248 1.00 1.00 C ATOM 0 H ALA A 70 -2.825 0.757 5.626 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.638 2.439 3.566 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.159 1.004 2.173 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.414 1.365 3.748 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.154 -0.227 3.458 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.949 -0.586 3.390 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.017 -1.353 2.762 1.00 1.00 C ATOM 1060 C ALA A 71 -7.372 -0.723 3.049 1.00 1.00 C ATOM 1061 O ALA A 71 -8.225 -0.646 2.170 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.999 -2.791 3.287 1.00 1.00 C ATOM 0 H ALA A 71 -4.426 -1.090 4.106 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.854 -1.354 1.684 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.799 -3.361 2.815 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.039 -3.252 3.054 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.146 -2.786 4.367 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.563 -0.276 4.284 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.824 0.341 4.673 1.00 1.00 C ATOM 1070 C ASP A 72 -9.045 1.650 3.920 1.00 1.00 C ATOM 1071 O ASP A 72 -10.157 1.950 3.489 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.830 0.610 6.180 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.157 1.239 6.596 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.946 1.542 5.717 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.363 1.407 7.786 1.00 1.00 O ATOM 0 H ASP A 72 -6.867 -0.328 5.028 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.632 -0.346 4.421 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.674 -0.322 6.724 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.006 1.274 6.442 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.979 2.426 3.775 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.065 3.704 3.079 1.00 1.00 C ATOM 1082 C VAL A 73 -8.435 3.490 1.615 1.00 1.00 C ATOM 1083 O VAL A 73 -9.258 4.217 1.060 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.729 4.445 3.177 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.772 5.701 2.302 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.475 4.856 4.633 1.00 1.00 C ATOM 0 H VAL A 73 -7.050 2.195 4.127 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.842 4.305 3.551 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.929 3.788 2.836 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.820 6.227 2.373 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.953 5.416 1.265 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.574 6.355 2.644 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.524 5.383 4.701 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.278 5.511 4.972 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.443 3.966 5.262 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.813 2.495 0.994 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.081 2.201 -0.406 1.00 1.00 C ATOM 1098 C ILE A 74 -9.538 1.797 -0.597 1.00 1.00 C ATOM 1099 O ILE A 74 -10.190 2.232 -1.545 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.164 1.074 -0.888 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.726 1.583 -0.985 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.618 0.582 -2.262 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.760 0.401 -1.067 1.00 1.00 C ATOM 0 H ILE A 74 -7.125 1.883 1.434 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.887 3.099 -0.992 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.213 0.251 -0.175 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.614 2.217 -1.865 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.489 2.198 -0.117 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.960 -0.220 -2.597 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.640 0.209 -2.195 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.578 1.406 -2.975 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.737 0.771 -1.136 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.863 -0.216 -0.174 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.990 -0.196 -1.949 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.037 0.959 0.301 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.418 0.503 0.213 1.00 1.00 C ATOM 1117 C GLU A 75 -12.360 1.679 -0.010 1.00 1.00 C ATOM 1118 O GLU A 75 -13.211 1.641 -0.897 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.804 -0.233 1.504 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.229 -1.647 1.484 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.535 -2.345 2.800 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.191 -1.747 3.635 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.113 -3.471 2.948 1.00 1.00 O ATOM 0 H GLU A 75 -9.513 0.584 1.092 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.506 -0.177 -0.634 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.427 0.311 2.370 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.889 -0.273 1.600 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.655 -2.211 0.655 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.152 -1.609 1.323 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.200 2.721 0.798 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.042 3.905 0.676 1.00 1.00 C ATOM 1132 C GLY A 76 -12.842 4.575 -0.675 1.00 1.00 C ATOM 1133 O GLY A 76 -13.750 5.223 -1.196 1.00 1.00 O ATOM 0 H GLY A 76 -11.501 2.770 1.539 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.089 3.626 0.797 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.805 4.609 1.474 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.647 4.419 -1.236 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.335 5.010 -2.530 1.00 1.00 C ATOM 1139 C LEU A 77 -11.848 4.140 -3.663 1.00 1.00 C ATOM 1140 O LEU A 77 -11.885 4.563 -4.819 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.828 5.203 -2.666 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.360 6.310 -1.716 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.830 6.327 -1.667 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.872 7.679 -2.215 1.00 1.00 C ATOM 0 H LEU A 77 -10.882 3.890 -0.816 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.830 5.979 -2.590 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.310 4.271 -2.437 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.576 5.463 -3.694 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.757 6.119 -0.719 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.496 7.114 -0.991 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.467 5.364 -1.309 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.436 6.515 -2.666 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.536 8.463 -1.536 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.480 7.872 -3.214 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.961 7.670 -2.248 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.265 2.930 -3.326 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.797 2.007 -4.321 1.00 1.00 C ATOM 1158 C LEU A 78 -14.309 2.122 -4.411 1.00 1.00 C ATOM 1159 O LEU A 78 -14.915 1.683 -5.389 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.409 0.569 -3.956 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.972 0.281 -4.404 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.464 -0.991 -3.719 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.931 0.087 -5.931 1.00 1.00 C ATOM 0 H LEU A 78 -12.246 2.563 -2.374 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.372 2.265 -5.291 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.499 0.422 -2.880 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.094 -0.133 -4.432 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.337 1.123 -4.128 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.442 -1.193 -4.039 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.485 -0.855 -2.638 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.103 -1.831 -3.992 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.907 -0.117 -6.244 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.570 -0.751 -6.209 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.287 0.992 -6.422 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.914 2.696 -3.382 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.359 2.842 -3.357 1.00 1.00 C ATOM 1177 C GLU A 79 -16.846 3.535 -4.620 1.00 1.00 C ATOM 1178 O GLU A 79 -17.646 2.980 -5.377 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.771 3.662 -2.129 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.394 2.904 -0.857 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.230 1.635 -0.735 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.277 1.577 -1.358 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.812 0.737 -0.019 1.00 1.00 O ATOM 0 H GLU A 79 -14.432 3.064 -2.562 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.811 1.851 -3.305 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.277 4.634 -2.145 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.845 3.850 -2.148 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.334 2.650 -0.877 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.554 3.539 0.015 1.00 1.00 H new