USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 Single : A 4 THR OG1 : rot 34:sc= 1.7 USER MOD Single : A 5 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.87) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 0.879 (180deg=0.042) USER MOD Single : A 31 LYS NZ :NH3+ 134:sc= -0.467 (180deg=-3.93!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 41 SER OG : rot 4:sc= 0.724 USER MOD Single : A 43 SER OG : rot 100:sc= -2.45! USER MOD Single : A 44 MET CE :methyl -150:sc= -2.26! (180deg=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 1.15 (180deg=0.775) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= 0.928 (180deg=-0.998!) USER MOD Single : A 66 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.36!) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.23) USER MOD Single : A 69 THR OG1 : rot -31:sc= 0.631 USER MOD Single : A 74 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.118 (180deg=-0.649) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc=-0.00467 F(o=-1,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 -9.857 8.290 -1.269 1.00 0.00 N ATOM 41 CA THR A 4 -9.450 8.275 -2.656 1.00 0.00 C ATOM 42 C THR A 4 -7.933 8.142 -2.752 1.00 0.00 C ATOM 43 O THR A 4 -7.272 7.885 -1.747 1.00 0.00 O ATOM 44 CB THR A 4 -9.922 9.537 -3.396 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.046 10.112 -2.716 1.00 0.00 O ATOM 46 CG2 THR A 4 -10.321 9.186 -4.822 1.00 0.00 C ATOM 0 HA THR A 4 -9.918 7.416 -3.136 1.00 0.00 H new ATOM 0 HB THR A 4 -9.104 10.257 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.947 9.979 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.654 10.086 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.464 8.763 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.131 8.457 -4.804 1.00 0.00 H new ATOM 54 N GLN A 5 -7.387 8.339 -3.946 1.00 0.00 N ATOM 55 CA GLN A 5 -5.979 8.059 -4.212 1.00 0.00 C ATOM 56 C GLN A 5 -5.056 8.802 -3.247 1.00 0.00 C ATOM 57 O GLN A 5 -4.266 8.185 -2.542 1.00 0.00 O ATOM 58 CB GLN A 5 -5.633 8.449 -5.648 1.00 0.00 C ATOM 59 CG GLN A 5 -4.259 7.986 -6.089 1.00 0.00 C ATOM 60 CD GLN A 5 -3.771 8.708 -7.324 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.055 8.307 -8.449 1.00 0.00 O ATOM 62 NE2 GLN A 5 -3.009 9.770 -7.118 1.00 0.00 N ATOM 0 H GLN A 5 -7.902 8.694 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.826 6.990 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.382 8.029 -6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.690 9.533 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.549 8.142 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.287 6.914 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.798 10.069 -6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.633 10.290 -7.911 1.00 0.00 H new ATOM 71 N GLU A 6 -5.178 10.121 -3.198 1.00 0.00 N ATOM 72 CA GLU A 6 -4.287 10.939 -2.376 1.00 0.00 C ATOM 73 C GLU A 6 -4.474 10.648 -0.888 1.00 0.00 C ATOM 74 O GLU A 6 -3.517 10.668 -0.115 1.00 0.00 O ATOM 75 CB GLU A 6 -4.519 12.422 -2.669 1.00 0.00 C ATOM 76 CG GLU A 6 -5.958 12.870 -2.461 1.00 0.00 C ATOM 77 CD GLU A 6 -6.217 14.256 -3.008 1.00 0.00 C ATOM 78 OE1 GLU A 6 -6.528 14.372 -4.210 1.00 0.00 O ATOM 79 OE2 GLU A 6 -6.116 15.233 -2.241 1.00 0.00 O ATOM 0 H GLU A 6 -5.881 10.649 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.259 10.683 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.867 13.016 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.229 12.629 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.630 12.161 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.190 12.854 -1.396 1.00 0.00 H new ATOM 86 N GLU A 7 -5.708 10.352 -0.505 1.00 0.00 N ATOM 87 CA GLU A 7 -6.039 10.071 0.884 1.00 0.00 C ATOM 88 C GLU A 7 -5.461 8.729 1.312 1.00 0.00 C ATOM 89 O GLU A 7 -4.780 8.628 2.332 1.00 0.00 O ATOM 90 CB GLU A 7 -7.553 10.053 1.068 1.00 0.00 C ATOM 91 CG GLU A 7 -8.243 11.329 0.627 1.00 0.00 C ATOM 92 CD GLU A 7 -9.748 11.227 0.729 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.368 10.645 -0.181 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.317 11.717 1.728 1.00 0.00 O ATOM 0 H GLU A 7 -6.502 10.300 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.607 10.856 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.967 9.216 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.779 9.875 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.894 12.160 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.964 11.554 -0.403 1.00 0.00 H new ATOM 101 N ILE A 8 -5.737 7.701 0.516 1.00 0.00 N ATOM 102 CA ILE A 8 -5.274 6.354 0.815 1.00 0.00 C ATOM 103 C ILE A 8 -3.746 6.298 0.719 1.00 0.00 C ATOM 104 O ILE A 8 -3.100 5.563 1.458 1.00 0.00 O ATOM 105 CB ILE A 8 -5.938 5.318 -0.138 1.00 0.00 C ATOM 106 CG1 ILE A 8 -5.865 3.883 0.421 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.313 5.383 -1.521 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.530 3.182 0.241 1.00 0.00 C ATOM 0 H ILE A 8 -6.281 7.777 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.566 6.096 1.833 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.993 5.583 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.100 3.913 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.639 3.284 -0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.792 4.651 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.450 6.382 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.248 5.163 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.584 2.181 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.296 3.111 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.750 3.750 0.747 1.00 0.00 H new ATOM 120 N VAL A 9 -3.179 7.104 -0.177 1.00 0.00 N ATOM 121 CA VAL A 9 -1.732 7.217 -0.309 1.00 0.00 C ATOM 122 C VAL A 9 -1.106 7.683 1.003 1.00 0.00 C ATOM 123 O VAL A 9 -0.104 7.130 1.441 1.00 0.00 O ATOM 124 CB VAL A 9 -1.343 8.168 -1.471 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.002 8.841 -1.227 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.291 7.398 -2.784 1.00 0.00 C ATOM 0 H VAL A 9 -3.705 7.691 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.341 6.227 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.107 8.944 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.233 9.498 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.050 9.426 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.774 8.082 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.017 8.076 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.549 6.603 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.269 6.964 -2.990 1.00 0.00 H new ATOM 136 N ALA A 10 -1.715 8.678 1.640 1.00 0.00 N ATOM 137 CA ALA A 10 -1.236 9.163 2.929 1.00 0.00 C ATOM 138 C ALA A 10 -1.316 8.062 3.983 1.00 0.00 C ATOM 139 O ALA A 10 -0.436 7.937 4.836 1.00 0.00 O ATOM 140 CB ALA A 10 -2.030 10.379 3.378 1.00 0.00 C ATOM 0 H ALA A 10 -2.539 9.163 1.285 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.193 9.456 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.655 10.723 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.923 11.176 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.082 10.112 3.473 1.00 0.00 H new ATOM 146 N GLY A 11 -2.376 7.263 3.914 1.00 0.00 N ATOM 147 CA GLY A 11 -2.534 6.157 4.838 1.00 0.00 C ATOM 148 C GLY A 11 -1.543 5.041 4.563 1.00 0.00 C ATOM 149 O GLY A 11 -0.954 4.483 5.486 1.00 0.00 O ATOM 0 H GLY A 11 -3.129 7.363 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.402 6.516 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.549 5.766 4.766 1.00 0.00 H new ATOM 153 N LEU A 12 -1.359 4.724 3.287 1.00 0.00 N ATOM 154 CA LEU A 12 -0.388 3.723 2.869 1.00 0.00 C ATOM 155 C LEU A 12 1.017 4.195 3.239 1.00 0.00 C ATOM 156 O LEU A 12 1.840 3.419 3.714 1.00 0.00 O ATOM 157 CB LEU A 12 -0.494 3.494 1.355 1.00 0.00 C ATOM 158 CG LEU A 12 -0.423 2.031 0.887 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.888 1.386 1.301 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.606 1.236 1.424 1.00 0.00 C ATOM 0 H LEU A 12 -1.876 5.151 2.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.592 2.781 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.435 3.920 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.306 4.050 0.867 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.470 2.025 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.910 0.352 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.719 1.934 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.978 1.408 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.536 0.204 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.595 1.258 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.535 1.677 1.062 1.00 0.00 H new ATOM 172 N ALA A 13 1.263 5.483 3.033 1.00 0.00 N ATOM 173 CA ALA A 13 2.532 6.108 3.386 1.00 0.00 C ATOM 174 C ALA A 13 2.833 5.937 4.864 1.00 0.00 C ATOM 175 O ALA A 13 3.914 5.487 5.241 1.00 0.00 O ATOM 176 CB ALA A 13 2.501 7.585 3.032 1.00 0.00 C ATOM 0 H ALA A 13 0.588 6.124 2.616 1.00 0.00 H new ATOM 0 HA ALA A 13 3.322 5.617 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.453 8.043 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.331 7.699 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.696 8.074 3.581 1.00 0.00 H new ATOM 182 N GLU A 14 1.863 6.304 5.689 1.00 0.00 N ATOM 183 CA GLU A 14 1.957 6.150 7.132 1.00 0.00 C ATOM 184 C GLU A 14 2.284 4.703 7.487 1.00 0.00 C ATOM 185 O GLU A 14 3.079 4.423 8.382 1.00 0.00 O ATOM 186 CB GLU A 14 0.621 6.552 7.755 1.00 0.00 C ATOM 187 CG GLU A 14 0.583 6.472 9.270 1.00 0.00 C ATOM 188 CD GLU A 14 -0.794 6.777 9.816 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.661 5.880 9.790 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.027 7.924 10.250 1.00 0.00 O ATOM 0 H GLU A 14 0.986 6.718 5.374 1.00 0.00 H new ATOM 0 HA GLU A 14 2.753 6.787 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.386 7.572 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.162 5.910 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.887 5.475 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.304 7.174 9.689 1.00 0.00 H new ATOM 197 N ILE A 15 1.666 3.796 6.750 1.00 0.00 N ATOM 198 CA ILE A 15 1.831 2.369 6.951 1.00 0.00 C ATOM 199 C ILE A 15 3.243 1.892 6.590 1.00 0.00 C ATOM 200 O ILE A 15 3.912 1.246 7.395 1.00 0.00 O ATOM 201 CB ILE A 15 0.775 1.605 6.123 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.570 1.570 6.866 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.246 0.209 5.761 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.555 0.804 8.176 1.00 0.00 C ATOM 0 H ILE A 15 1.030 4.033 5.989 1.00 0.00 H new ATOM 0 HA ILE A 15 1.688 2.162 8.011 1.00 0.00 H new ATOM 0 HB ILE A 15 0.632 2.143 5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.886 2.594 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.319 1.126 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.475 -0.296 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.161 0.275 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.441 -0.357 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.547 0.835 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.274 -0.232 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.166 1.259 8.855 1.00 0.00 H new ATOM 216 N VAL A 16 3.703 2.215 5.388 1.00 0.00 N ATOM 217 CA VAL A 16 5.021 1.766 4.947 1.00 0.00 C ATOM 218 C VAL A 16 6.112 2.457 5.762 1.00 0.00 C ATOM 219 O VAL A 16 7.239 1.972 5.855 1.00 0.00 O ATOM 220 CB VAL A 16 5.265 2.012 3.445 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.481 1.225 2.977 1.00 0.00 C ATOM 222 CG2 VAL A 16 4.039 1.646 2.623 1.00 0.00 C ATOM 0 H VAL A 16 3.193 2.778 4.708 1.00 0.00 H new ATOM 0 HA VAL A 16 5.056 0.689 5.110 1.00 0.00 H new ATOM 0 HB VAL A 16 5.457 3.075 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.645 1.406 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.359 1.544 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.311 0.161 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.240 1.830 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.804 0.592 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.192 2.254 2.942 1.00 0.00 H new ATOM 232 N ASN A 17 5.769 3.605 6.331 1.00 0.00 N ATOM 233 CA ASN A 17 6.665 4.323 7.229 1.00 0.00 C ATOM 234 C ASN A 17 7.028 3.452 8.434 1.00 0.00 C ATOM 235 O ASN A 17 8.131 3.549 8.972 1.00 0.00 O ATOM 236 CB ASN A 17 6.009 5.626 7.695 1.00 0.00 C ATOM 237 CG ASN A 17 6.927 6.481 8.544 1.00 0.00 C ATOM 238 OD1 ASN A 17 6.990 6.325 9.763 1.00 0.00 O ATOM 239 ND2 ASN A 17 7.633 7.404 7.908 1.00 0.00 N ATOM 0 H ASN A 17 4.869 4.062 6.185 1.00 0.00 H new ATOM 0 HA ASN A 17 7.581 4.563 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.692 6.198 6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.111 5.390 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.258 8.018 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.552 7.501 6.896 1.00 0.00 H new ATOM 246 N GLU A 18 6.096 2.589 8.842 1.00 0.00 N ATOM 247 CA GLU A 18 6.336 1.659 9.941 1.00 0.00 C ATOM 248 C GLU A 18 7.207 0.497 9.474 1.00 0.00 C ATOM 249 O GLU A 18 7.904 -0.142 10.266 1.00 0.00 O ATOM 250 CB GLU A 18 5.013 1.115 10.484 1.00 0.00 C ATOM 251 CG GLU A 18 4.009 2.206 10.820 1.00 0.00 C ATOM 252 CD GLU A 18 2.912 1.727 11.744 1.00 0.00 C ATOM 253 OE1 GLU A 18 2.085 0.892 11.323 1.00 0.00 O ATOM 254 OE2 GLU A 18 2.876 2.184 12.908 1.00 0.00 O ATOM 0 H GLU A 18 5.168 2.517 8.426 1.00 0.00 H new ATOM 0 HA GLU A 18 6.852 2.200 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.575 0.442 9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.210 0.524 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.530 3.043 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.564 2.581 9.898 1.00 0.00 H new ATOM 261 N ILE A 19 7.159 0.238 8.176 1.00 0.00 N ATOM 262 CA ILE A 19 7.882 -0.873 7.581 1.00 0.00 C ATOM 263 C ILE A 19 9.340 -0.521 7.323 1.00 0.00 C ATOM 264 O ILE A 19 10.251 -1.211 7.784 1.00 0.00 O ATOM 265 CB ILE A 19 7.244 -1.286 6.238 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.838 -1.846 6.455 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.120 -2.293 5.526 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.208 -2.447 5.211 1.00 0.00 C ATOM 0 H ILE A 19 6.620 0.790 7.509 1.00 0.00 H new ATOM 0 HA ILE A 19 7.829 -1.696 8.293 1.00 0.00 H new ATOM 0 HB ILE A 19 7.159 -0.399 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.879 -2.609 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.194 -1.048 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.656 -2.574 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.098 -1.852 5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.237 -3.179 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.213 -2.821 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.132 -1.684 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.827 -3.269 4.851 1.00 0.00 H new ATOM 280 N ALA A 20 9.552 0.564 6.604 1.00 0.00 N ATOM 281 CA ALA A 20 10.880 0.922 6.155 1.00 0.00 C ATOM 282 C ALA A 20 11.162 2.393 6.412 1.00 0.00 C ATOM 283 O ALA A 20 11.851 2.734 7.371 1.00 0.00 O ATOM 284 CB ALA A 20 11.037 0.582 4.686 1.00 0.00 C ATOM 0 H ALA A 20 8.819 1.213 6.319 1.00 0.00 H new ATOM 0 HA ALA A 20 11.610 0.346 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.039 0.854 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.885 -0.488 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.300 1.135 4.104 1.00 0.00 H new ATOM 290 N GLY A 21 10.628 3.270 5.569 1.00 0.00 N ATOM 291 CA GLY A 21 10.791 4.688 5.815 1.00 0.00 C ATOM 292 C GLY A 21 10.774 5.555 4.567 1.00 0.00 C ATOM 293 O GLY A 21 11.740 6.271 4.299 1.00 0.00 O ATOM 0 H GLY A 21 10.094 3.029 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.996 5.021 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.734 4.846 6.338 1.00 0.00 H new ATOM 297 N ILE A 22 9.699 5.485 3.791 1.00 0.00 N ATOM 298 CA ILE A 22 9.443 6.502 2.777 1.00 0.00 C ATOM 299 C ILE A 22 8.596 7.599 3.411 1.00 0.00 C ATOM 300 O ILE A 22 7.598 7.305 4.076 1.00 0.00 O ATOM 301 CB ILE A 22 8.709 5.943 1.523 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.637 5.073 0.658 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.142 7.082 0.685 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.823 5.824 0.086 1.00 0.00 C ATOM 0 H ILE A 22 8.999 4.745 3.842 1.00 0.00 H new ATOM 0 HA ILE A 22 10.405 6.882 2.432 1.00 0.00 H new ATOM 0 HB ILE A 22 7.893 5.314 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.002 4.240 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.059 4.646 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.632 6.673 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.434 7.656 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.953 7.733 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.430 5.144 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.468 6.641 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.425 6.228 0.900 1.00 0.00 H new ATOM 316 N PRO A 23 9.005 8.868 3.262 1.00 0.00 N ATOM 317 CA PRO A 23 8.240 10.004 3.781 1.00 0.00 C ATOM 318 C PRO A 23 6.791 9.986 3.298 1.00 0.00 C ATOM 319 O PRO A 23 6.507 9.550 2.182 1.00 0.00 O ATOM 320 CB PRO A 23 8.978 11.219 3.216 1.00 0.00 C ATOM 321 CG PRO A 23 10.369 10.742 2.979 1.00 0.00 C ATOM 322 CD PRO A 23 10.248 9.296 2.592 1.00 0.00 C ATOM 0 HA PRO A 23 8.181 9.997 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.517 11.568 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.960 12.054 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.850 11.319 2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.979 10.857 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.185 9.173 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.107 8.716 2.929 1.00 0.00 H new ATOM 330 N VAL A 24 5.877 10.471 4.135 1.00 0.00 N ATOM 331 CA VAL A 24 4.453 10.448 3.810 1.00 0.00 C ATOM 332 C VAL A 24 4.155 11.257 2.550 1.00 0.00 C ATOM 333 O VAL A 24 3.187 10.993 1.841 1.00 0.00 O ATOM 334 CB VAL A 24 3.591 10.975 4.979 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.675 10.032 6.173 1.00 0.00 C ATOM 336 CG2 VAL A 24 4.011 12.386 5.381 1.00 0.00 C ATOM 0 H VAL A 24 6.096 10.884 5.042 1.00 0.00 H new ATOM 0 HA VAL A 24 4.192 9.405 3.629 1.00 0.00 H new ATOM 0 HB VAL A 24 2.556 11.016 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.062 10.419 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.313 9.045 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.711 9.956 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.387 12.730 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.055 12.380 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.891 13.057 4.531 1.00 0.00 H new ATOM 346 N GLU A 25 5.002 12.239 2.283 1.00 0.00 N ATOM 347 CA GLU A 25 4.863 13.085 1.108 1.00 0.00 C ATOM 348 C GLU A 25 5.435 12.413 -0.142 1.00 0.00 C ATOM 349 O GLU A 25 5.131 12.820 -1.263 1.00 0.00 O ATOM 350 CB GLU A 25 5.556 14.430 1.349 1.00 0.00 C ATOM 351 CG GLU A 25 7.038 14.310 1.674 1.00 0.00 C ATOM 352 CD GLU A 25 7.657 15.629 2.087 1.00 0.00 C ATOM 353 OE1 GLU A 25 8.145 16.366 1.207 1.00 0.00 O ATOM 354 OE2 GLU A 25 7.666 15.931 3.297 1.00 0.00 O ATOM 0 H GLU A 25 5.802 12.471 2.872 1.00 0.00 H new ATOM 0 HA GLU A 25 3.799 13.250 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.438 15.053 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.055 14.944 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.172 13.584 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.566 13.923 0.803 1.00 0.00 H new ATOM 361 N ASP A 26 6.262 11.391 0.050 1.00 0.00 N ATOM 362 CA ASP A 26 7.012 10.806 -1.060 1.00 0.00 C ATOM 363 C ASP A 26 6.315 9.577 -1.638 1.00 0.00 C ATOM 364 O ASP A 26 6.652 9.120 -2.731 1.00 0.00 O ATOM 365 CB ASP A 26 8.419 10.425 -0.603 1.00 0.00 C ATOM 366 CG ASP A 26 9.417 10.454 -1.741 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.970 11.539 -2.018 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.655 9.401 -2.361 1.00 0.00 O ATOM 0 H ASP A 26 6.431 10.952 0.955 1.00 0.00 H new ATOM 0 HA ASP A 26 7.068 11.561 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.743 11.111 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.399 9.427 -0.165 1.00 0.00 H new ATOM 373 N VAL A 27 5.358 9.031 -0.902 1.00 0.00 N ATOM 374 CA VAL A 27 4.624 7.868 -1.378 1.00 0.00 C ATOM 375 C VAL A 27 3.741 8.240 -2.559 1.00 0.00 C ATOM 376 O VAL A 27 2.956 9.185 -2.504 1.00 0.00 O ATOM 377 CB VAL A 27 3.792 7.206 -0.260 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.890 6.113 -0.820 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.722 6.627 0.791 1.00 0.00 C ATOM 0 H VAL A 27 5.074 9.370 0.017 1.00 0.00 H new ATOM 0 HA VAL A 27 5.359 7.134 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 27 3.156 7.966 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.316 5.664 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.208 6.544 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.500 5.348 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.133 6.160 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.370 5.881 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.331 7.424 1.217 1.00 0.00 H new ATOM 389 N LYS A 28 3.906 7.492 -3.635 1.00 0.00 N ATOM 390 CA LYS A 28 3.232 7.760 -4.890 1.00 0.00 C ATOM 391 C LYS A 28 2.800 6.441 -5.501 1.00 0.00 C ATOM 392 O LYS A 28 3.173 5.384 -5.003 1.00 0.00 O ATOM 393 CB LYS A 28 4.194 8.464 -5.853 1.00 0.00 C ATOM 394 CG LYS A 28 4.735 9.789 -5.339 1.00 0.00 C ATOM 395 CD LYS A 28 6.070 10.141 -5.985 1.00 0.00 C ATOM 396 CE LYS A 28 5.939 10.366 -7.481 1.00 0.00 C ATOM 397 NZ LYS A 28 7.265 10.512 -8.142 1.00 0.00 N ATOM 0 H LYS A 28 4.517 6.675 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 28 2.366 8.398 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.032 7.799 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.681 8.637 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.013 10.580 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.857 9.737 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.473 11.040 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.784 9.338 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.402 9.529 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.343 11.261 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.232 11.304 -8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.993 10.700 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.498 9.635 -8.650 1.00 0.00 H new ATOM 411 N LEU A 29 2.050 6.490 -6.588 1.00 0.00 N ATOM 412 CA LEU A 29 1.733 5.278 -7.334 1.00 0.00 C ATOM 413 C LEU A 29 2.904 4.950 -8.254 1.00 0.00 C ATOM 414 O LEU A 29 2.923 3.932 -8.944 1.00 0.00 O ATOM 415 CB LEU A 29 0.453 5.450 -8.161 1.00 0.00 C ATOM 416 CG LEU A 29 -0.777 5.947 -7.398 1.00 0.00 C ATOM 417 CD1 LEU A 29 -1.998 5.895 -8.298 1.00 0.00 C ATOM 418 CD2 LEU A 29 -1.009 5.125 -6.140 1.00 0.00 C ATOM 0 H LEU A 29 1.651 7.346 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 29 1.565 4.464 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.659 6.148 -8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.209 4.492 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.601 6.979 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.870 6.250 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.835 6.529 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.167 4.868 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.889 5.500 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.165 4.081 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.139 5.204 -5.488 1.00 0.00 H new ATOM 430 N ASP A 30 3.880 5.842 -8.225 1.00 0.00 N ATOM 431 CA ASP A 30 4.997 5.843 -9.156 1.00 0.00 C ATOM 432 C ASP A 30 6.230 5.129 -8.596 1.00 0.00 C ATOM 433 O ASP A 30 7.029 4.579 -9.352 1.00 0.00 O ATOM 434 CB ASP A 30 5.315 7.306 -9.505 1.00 0.00 C ATOM 435 CG ASP A 30 6.659 7.509 -10.169 1.00 0.00 C ATOM 436 OD1 ASP A 30 6.765 7.289 -11.393 1.00 0.00 O ATOM 437 OD2 ASP A 30 7.601 7.943 -9.470 1.00 0.00 O ATOM 0 H ASP A 30 3.919 6.599 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 30 4.717 5.287 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.536 7.688 -10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.280 7.901 -8.592 1.00 0.00 H new ATOM 442 N LYS A 31 6.381 5.099 -7.276 1.00 0.00 N ATOM 443 CA LYS A 31 7.588 4.536 -6.696 1.00 0.00 C ATOM 444 C LYS A 31 7.383 3.051 -6.403 1.00 0.00 C ATOM 445 O LYS A 31 6.285 2.621 -6.045 1.00 0.00 O ATOM 446 CB LYS A 31 8.008 5.332 -5.456 1.00 0.00 C ATOM 447 CG LYS A 31 7.349 4.923 -4.153 1.00 0.00 C ATOM 448 CD LYS A 31 7.349 6.063 -3.154 1.00 0.00 C ATOM 449 CE LYS A 31 8.752 6.416 -2.654 1.00 0.00 C ATOM 450 NZ LYS A 31 9.614 7.057 -3.691 1.00 0.00 N ATOM 0 H LYS A 31 5.699 5.450 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 31 8.408 4.613 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.088 5.242 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.793 6.386 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.324 4.605 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.874 4.066 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.901 6.943 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.722 5.794 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.666 7.088 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.240 5.509 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.092 7.885 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.325 6.374 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.025 7.359 -4.493 1.00 0.00 H new ATOM 464 N SER A 32 8.430 2.268 -6.584 1.00 0.00 N ATOM 465 CA SER A 32 8.317 0.823 -6.504 1.00 0.00 C ATOM 466 C SER A 32 8.423 0.345 -5.059 1.00 0.00 C ATOM 467 O SER A 32 9.288 0.796 -4.312 1.00 0.00 O ATOM 468 CB SER A 32 9.398 0.176 -7.370 1.00 0.00 C ATOM 469 OG SER A 32 9.331 0.662 -8.702 1.00 0.00 O ATOM 0 H SER A 32 9.370 2.608 -6.788 1.00 0.00 H new ATOM 0 HA SER A 32 7.337 0.526 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.382 0.386 -6.950 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.274 -0.907 -7.366 1.00 0.00 H new ATOM 0 HG SER A 32 10.031 0.238 -9.241 1.00 0.00 H new ATOM 475 N PHE A 33 7.539 -0.572 -4.678 1.00 0.00 N ATOM 476 CA PHE A 33 7.511 -1.126 -3.329 1.00 0.00 C ATOM 477 C PHE A 33 8.823 -1.825 -3.024 1.00 0.00 C ATOM 478 O PHE A 33 9.442 -1.595 -1.987 1.00 0.00 O ATOM 479 CB PHE A 33 6.360 -2.127 -3.188 1.00 0.00 C ATOM 480 CG PHE A 33 5.381 -1.782 -2.103 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.822 -1.439 -0.838 1.00 0.00 C ATOM 482 CD2 PHE A 33 4.021 -1.814 -2.349 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.924 -1.126 0.161 1.00 0.00 C ATOM 484 CE2 PHE A 33 3.116 -1.502 -1.354 1.00 0.00 C ATOM 485 CZ PHE A 33 3.570 -1.158 -0.098 1.00 0.00 C ATOM 0 H PHE A 33 6.822 -0.952 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 33 7.363 -0.307 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.828 -2.189 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.774 -3.116 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.882 -1.416 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.662 -2.086 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.281 -0.856 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.056 -1.527 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.865 -0.914 0.683 1.00 0.00 H new ATOM 495 N THR A 34 9.248 -2.658 -3.957 1.00 0.00 N ATOM 496 CA THR A 34 10.454 -3.445 -3.795 1.00 0.00 C ATOM 497 C THR A 34 11.699 -2.561 -3.761 1.00 0.00 C ATOM 498 O THR A 34 12.630 -2.812 -2.998 1.00 0.00 O ATOM 499 CB THR A 34 10.574 -4.466 -4.943 1.00 0.00 C ATOM 500 OG1 THR A 34 10.350 -3.808 -6.199 1.00 0.00 O ATOM 501 CG2 THR A 34 9.565 -5.596 -4.774 1.00 0.00 C ATOM 0 H THR A 34 8.768 -2.807 -4.845 1.00 0.00 H new ATOM 0 HA THR A 34 10.385 -3.970 -2.842 1.00 0.00 H new ATOM 0 HB THR A 34 11.577 -4.891 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.428 -4.459 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.670 -6.303 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.747 -6.108 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.555 -5.185 -4.775 1.00 0.00 H new ATOM 509 N ASP A 35 11.700 -1.518 -4.582 1.00 0.00 N ATOM 510 CA ASP A 35 12.884 -0.680 -4.742 1.00 0.00 C ATOM 511 C ASP A 35 12.869 0.520 -3.793 1.00 0.00 C ATOM 512 O ASP A 35 13.698 0.625 -2.891 1.00 0.00 O ATOM 513 CB ASP A 35 13.004 -0.206 -6.192 1.00 0.00 C ATOM 514 CG ASP A 35 14.364 0.378 -6.494 1.00 0.00 C ATOM 515 OD1 ASP A 35 15.282 -0.404 -6.824 1.00 0.00 O ATOM 516 OD2 ASP A 35 14.526 1.610 -6.407 1.00 0.00 O ATOM 0 H ASP A 35 10.899 -1.232 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 35 13.752 -1.288 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.814 -1.044 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.237 0.542 -6.392 1.00 0.00 H new ATOM 521 N ASP A 36 11.903 1.407 -4.004 1.00 0.00 N ATOM 522 CA ASP A 36 11.821 2.673 -3.271 1.00 0.00 C ATOM 523 C ASP A 36 11.462 2.459 -1.814 1.00 0.00 C ATOM 524 O ASP A 36 12.095 3.016 -0.922 1.00 0.00 O ATOM 525 CB ASP A 36 10.757 3.590 -3.880 1.00 0.00 C ATOM 526 CG ASP A 36 11.066 4.040 -5.285 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.956 3.216 -6.215 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.364 5.237 -5.471 1.00 0.00 O ATOM 0 H ASP A 36 11.155 1.273 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 36 12.808 3.131 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.799 3.069 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.643 4.469 -3.245 1.00 0.00 H new ATOM 533 N LEU A 37 10.429 1.659 -1.582 1.00 0.00 N ATOM 534 CA LEU A 37 9.861 1.504 -0.249 1.00 0.00 C ATOM 535 C LEU A 37 10.756 0.646 0.632 1.00 0.00 C ATOM 536 O LEU A 37 10.471 0.488 1.814 1.00 0.00 O ATOM 537 CB LEU A 37 8.452 0.886 -0.305 1.00 0.00 C ATOM 538 CG LEU A 37 7.311 1.789 -0.818 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.104 2.986 0.088 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.566 2.265 -2.232 1.00 0.00 C ATOM 0 H LEU A 37 9.966 1.105 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 37 9.788 2.502 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.495 0.001 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.191 0.547 0.697 1.00 0.00 H new ATOM 0 HG LEU A 37 6.407 1.180 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.293 3.601 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.850 2.643 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.020 3.575 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.740 2.898 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.494 2.835 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.647 1.405 -2.896 1.00 0.00 H new ATOM 552 N ASP A 38 11.831 0.107 0.044 1.00 0.00 N ATOM 553 CA ASP A 38 12.760 -0.774 0.758 1.00 0.00 C ATOM 554 C ASP A 38 11.972 -1.870 1.468 1.00 0.00 C ATOM 555 O ASP A 38 12.015 -2.008 2.690 1.00 0.00 O ATOM 556 CB ASP A 38 13.600 0.024 1.766 1.00 0.00 C ATOM 557 CG ASP A 38 14.859 -0.706 2.197 1.00 0.00 C ATOM 558 OD1 ASP A 38 14.790 -1.562 3.100 1.00 0.00 O ATOM 559 OD2 ASP A 38 15.939 -0.416 1.638 1.00 0.00 O ATOM 0 H ASP A 38 12.079 0.268 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 38 13.442 -1.229 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.875 0.982 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.993 0.241 2.645 1.00 0.00 H new ATOM 564 N VAL A 39 11.225 -2.636 0.694 1.00 0.00 N ATOM 565 CA VAL A 39 10.288 -3.572 1.270 1.00 0.00 C ATOM 566 C VAL A 39 10.564 -5.001 0.811 1.00 0.00 C ATOM 567 O VAL A 39 11.112 -5.229 -0.269 1.00 0.00 O ATOM 568 CB VAL A 39 8.832 -3.161 0.935 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.223 -4.046 -0.141 1.00 0.00 C ATOM 570 CG2 VAL A 39 7.988 -3.171 2.194 1.00 0.00 C ATOM 0 H VAL A 39 11.251 -2.626 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 39 10.418 -3.545 2.352 1.00 0.00 H new ATOM 0 HB VAL A 39 8.853 -2.148 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.202 -3.722 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.816 -3.971 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.214 -5.081 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.966 -2.881 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.988 -4.173 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.402 -2.467 2.915 1.00 0.00 H new ATOM 580 N ASP A 40 10.193 -5.953 1.656 1.00 0.00 N ATOM 581 CA ASP A 40 10.332 -7.371 1.342 1.00 0.00 C ATOM 582 C ASP A 40 8.957 -8.037 1.357 1.00 0.00 C ATOM 583 O ASP A 40 8.011 -7.477 1.908 1.00 0.00 O ATOM 584 CB ASP A 40 11.261 -8.058 2.353 1.00 0.00 C ATOM 585 CG ASP A 40 11.363 -9.558 2.133 1.00 0.00 C ATOM 586 OD1 ASP A 40 10.545 -10.306 2.714 1.00 0.00 O ATOM 587 OD2 ASP A 40 12.246 -9.997 1.369 1.00 0.00 O ATOM 0 H ASP A 40 9.789 -5.767 2.574 1.00 0.00 H new ATOM 0 HA ASP A 40 10.770 -7.471 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.255 -7.617 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.897 -7.867 3.362 1.00 0.00 H new ATOM 592 N SER A 41 8.866 -9.217 0.746 1.00 0.00 N ATOM 593 CA SER A 41 7.635 -10.005 0.686 1.00 0.00 C ATOM 594 C SER A 41 6.827 -9.973 1.992 1.00 0.00 C ATOM 595 O SER A 41 5.669 -9.555 1.998 1.00 0.00 O ATOM 596 CB SER A 41 7.979 -11.449 0.312 1.00 0.00 C ATOM 597 OG SER A 41 9.125 -11.911 1.020 1.00 0.00 O ATOM 0 H SER A 41 9.654 -9.659 0.273 1.00 0.00 H new ATOM 0 HA SER A 41 6.999 -9.553 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.129 -12.095 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.161 -11.515 -0.761 1.00 0.00 H new ATOM 0 HG SER A 41 9.419 -11.222 1.651 1.00 0.00 H new ATOM 603 N LEU A 42 7.430 -10.391 3.095 1.00 0.00 N ATOM 604 CA LEU A 42 6.708 -10.437 4.359 1.00 0.00 C ATOM 605 C LEU A 42 6.525 -9.037 4.914 1.00 0.00 C ATOM 606 O LEU A 42 5.446 -8.678 5.365 1.00 0.00 O ATOM 607 CB LEU A 42 7.431 -11.320 5.377 1.00 0.00 C ATOM 608 CG LEU A 42 6.820 -11.330 6.783 1.00 0.00 C ATOM 609 CD1 LEU A 42 5.324 -11.599 6.714 1.00 0.00 C ATOM 610 CD2 LEU A 42 7.509 -12.367 7.660 1.00 0.00 C ATOM 0 H LEU A 42 8.401 -10.699 3.142 1.00 0.00 H new ATOM 0 HA LEU A 42 5.727 -10.873 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.450 -12.342 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.467 -10.989 5.451 1.00 0.00 H new ATOM 0 HG LEU A 42 6.973 -10.347 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.908 -11.602 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.841 -10.820 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.150 -12.568 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.061 -12.359 8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.390 -13.356 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.570 -12.130 7.738 1.00 0.00 H new ATOM 622 N SER A 43 7.592 -8.266 4.860 1.00 0.00 N ATOM 623 CA SER A 43 7.593 -6.884 5.306 1.00 0.00 C ATOM 624 C SER A 43 6.359 -6.124 4.798 1.00 0.00 C ATOM 625 O SER A 43 5.534 -5.626 5.592 1.00 0.00 O ATOM 626 CB SER A 43 8.876 -6.235 4.791 1.00 0.00 C ATOM 627 OG SER A 43 8.913 -4.864 5.047 1.00 0.00 O ATOM 0 H SER A 43 8.493 -8.583 4.502 1.00 0.00 H new ATOM 0 HA SER A 43 7.553 -6.848 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.736 -6.714 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.962 -6.405 3.718 1.00 0.00 H new ATOM 0 HG SER A 43 9.466 -4.694 5.838 1.00 0.00 H new ATOM 633 N MET A 44 6.215 -6.078 3.475 1.00 0.00 N ATOM 634 CA MET A 44 5.107 -5.377 2.844 1.00 0.00 C ATOM 635 C MET A 44 3.777 -5.975 3.273 1.00 0.00 C ATOM 636 O MET A 44 2.894 -5.265 3.729 1.00 0.00 O ATOM 637 CB MET A 44 5.247 -5.404 1.315 1.00 0.00 C ATOM 638 CG MET A 44 5.332 -6.799 0.714 1.00 0.00 C ATOM 639 SD MET A 44 6.025 -6.808 -0.953 1.00 0.00 S ATOM 640 CE MET A 44 5.049 -5.536 -1.752 1.00 0.00 C ATOM 0 H MET A 44 6.858 -6.522 2.819 1.00 0.00 H new ATOM 0 HA MET A 44 5.133 -4.337 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.396 -4.884 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.141 -4.846 1.035 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.943 -7.430 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.335 -7.239 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.953 -5.764 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.059 -5.498 -1.298 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.541 -4.571 -1.631 1.00 0.00 H new ATOM 650 N VAL A 45 3.653 -7.283 3.175 1.00 0.00 N ATOM 651 CA VAL A 45 2.402 -7.939 3.511 1.00 0.00 C ATOM 652 C VAL A 45 2.064 -7.756 4.995 1.00 0.00 C ATOM 653 O VAL A 45 0.912 -7.823 5.385 1.00 0.00 O ATOM 654 CB VAL A 45 2.435 -9.434 3.116 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.200 -10.174 3.604 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.560 -9.559 1.605 1.00 0.00 C ATOM 0 H VAL A 45 4.396 -7.911 2.868 1.00 0.00 H new ATOM 0 HA VAL A 45 1.608 -7.465 2.934 1.00 0.00 H new ATOM 0 HB VAL A 45 3.300 -9.892 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.262 -11.221 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.142 -10.109 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.309 -9.724 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.583 -10.613 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.706 -9.077 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.480 -9.077 1.275 1.00 0.00 H new ATOM 666 N GLU A 46 3.064 -7.468 5.812 1.00 0.00 N ATOM 667 CA GLU A 46 2.832 -7.293 7.239 1.00 0.00 C ATOM 668 C GLU A 46 2.064 -6.014 7.522 1.00 0.00 C ATOM 669 O GLU A 46 0.894 -6.050 7.928 1.00 0.00 O ATOM 670 CB GLU A 46 4.164 -7.249 7.996 1.00 0.00 C ATOM 671 CG GLU A 46 4.638 -8.598 8.503 1.00 0.00 C ATOM 672 CD GLU A 46 3.870 -9.043 9.729 1.00 0.00 C ATOM 673 OE1 GLU A 46 4.107 -8.472 10.812 1.00 0.00 O ATOM 674 OE2 GLU A 46 3.032 -9.961 9.620 1.00 0.00 O ATOM 0 H GLU A 46 4.034 -7.351 5.518 1.00 0.00 H new ATOM 0 HA GLU A 46 2.240 -8.143 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.928 -6.832 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.065 -6.570 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.525 -9.342 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.700 -8.544 8.740 1.00 0.00 H new ATOM 681 N VAL A 47 2.676 -4.879 7.253 1.00 0.00 N ATOM 682 CA VAL A 47 2.040 -3.641 7.639 1.00 0.00 C ATOM 683 C VAL A 47 1.141 -3.121 6.522 1.00 0.00 C ATOM 684 O VAL A 47 0.200 -2.375 6.778 1.00 0.00 O ATOM 685 CB VAL A 47 3.068 -2.574 8.076 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.385 -1.413 8.787 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.125 -3.193 8.982 1.00 0.00 C ATOM 0 H VAL A 47 3.579 -4.789 6.787 1.00 0.00 H new ATOM 0 HA VAL A 47 1.415 -3.852 8.507 1.00 0.00 H new ATOM 0 HB VAL A 47 3.552 -2.188 7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.133 -0.677 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.665 -0.948 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.868 -1.782 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.841 -2.428 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.646 -3.608 9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.645 -3.987 8.445 1.00 0.00 H new ATOM 697 N VAL A 48 1.383 -3.550 5.286 1.00 0.00 N ATOM 698 CA VAL A 48 0.549 -3.094 4.174 1.00 0.00 C ATOM 699 C VAL A 48 -0.762 -3.879 4.142 1.00 0.00 C ATOM 700 O VAL A 48 -1.772 -3.388 3.648 1.00 0.00 O ATOM 701 CB VAL A 48 1.279 -3.163 2.812 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.436 -2.561 1.695 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.610 -2.438 2.900 1.00 0.00 C ATOM 0 H VAL A 48 2.130 -4.196 5.031 1.00 0.00 H new ATOM 0 HA VAL A 48 0.326 -2.041 4.345 1.00 0.00 H new ATOM 0 HB VAL A 48 1.449 -4.214 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.980 -2.627 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.502 -3.110 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.226 -1.515 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.118 -2.491 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.439 -1.394 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.230 -2.907 3.664 1.00 0.00 H new ATOM 713 N VAL A 49 -0.763 -5.086 4.711 1.00 0.00 N ATOM 714 CA VAL A 49 -2.020 -5.783 4.970 1.00 0.00 C ATOM 715 C VAL A 49 -2.758 -5.066 6.093 1.00 0.00 C ATOM 716 O VAL A 49 -3.976 -4.886 6.047 1.00 0.00 O ATOM 717 CB VAL A 49 -1.809 -7.277 5.312 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.913 -7.814 6.207 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.738 -8.097 4.032 1.00 0.00 C ATOM 0 H VAL A 49 0.076 -5.592 4.996 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.618 -5.762 4.059 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.869 -7.362 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.727 -8.866 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.932 -7.250 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.873 -7.712 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.589 -9.148 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.668 -7.984 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.905 -7.747 3.422 1.00 0.00 H new ATOM 729 N ALA A 50 -2.003 -4.610 7.091 1.00 0.00 N ATOM 730 CA ALA A 50 -2.570 -3.740 8.113 1.00 0.00 C ATOM 731 C ALA A 50 -3.119 -2.453 7.482 1.00 0.00 C ATOM 732 O ALA A 50 -3.972 -1.779 8.064 1.00 0.00 O ATOM 733 CB ALA A 50 -1.531 -3.413 9.174 1.00 0.00 C ATOM 0 H ALA A 50 -1.013 -4.825 7.211 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.395 -4.267 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.974 -2.762 9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.189 -4.335 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.684 -2.907 8.710 1.00 0.00 H new ATOM 739 N ALA A 51 -2.626 -2.125 6.288 1.00 0.00 N ATOM 740 CA ALA A 51 -3.076 -0.943 5.560 1.00 0.00 C ATOM 741 C ALA A 51 -4.333 -1.220 4.755 1.00 0.00 C ATOM 742 O ALA A 51 -5.277 -0.437 4.789 1.00 0.00 O ATOM 743 CB ALA A 51 -1.993 -0.438 4.624 1.00 0.00 C ATOM 0 H ALA A 51 -1.910 -2.667 5.803 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.300 -0.182 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.353 0.443 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.106 -0.177 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.741 -1.217 3.905 1.00 0.00 H new ATOM 749 N GLU A 52 -4.353 -2.326 4.028 1.00 0.00 N ATOM 750 CA GLU A 52 -5.475 -2.619 3.154 1.00 0.00 C ATOM 751 C GLU A 52 -6.745 -2.793 3.972 1.00 0.00 C ATOM 752 O GLU A 52 -7.782 -2.194 3.678 1.00 0.00 O ATOM 753 CB GLU A 52 -5.195 -3.859 2.301 1.00 0.00 C ATOM 754 CG GLU A 52 -4.872 -5.106 3.097 1.00 0.00 C ATOM 755 CD GLU A 52 -4.671 -6.305 2.205 1.00 0.00 C ATOM 756 OE1 GLU A 52 -3.541 -6.494 1.717 1.00 0.00 O ATOM 757 OE2 GLU A 52 -5.650 -7.045 1.978 1.00 0.00 O ATOM 0 H GLU A 52 -3.613 -3.028 4.026 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.615 -1.777 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.064 -4.058 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.362 -3.644 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.971 -4.937 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.680 -5.308 3.800 1.00 0.00 H new ATOM 764 N GLU A 53 -6.642 -3.560 5.040 1.00 0.00 N ATOM 765 CA GLU A 53 -7.796 -3.876 5.852 1.00 0.00 C ATOM 766 C GLU A 53 -8.327 -2.660 6.612 1.00 0.00 C ATOM 767 O GLU A 53 -9.510 -2.622 6.952 1.00 0.00 O ATOM 768 CB GLU A 53 -7.470 -4.989 6.831 1.00 0.00 C ATOM 769 CG GLU A 53 -6.999 -6.278 6.175 1.00 0.00 C ATOM 770 CD GLU A 53 -7.110 -7.472 7.108 1.00 0.00 C ATOM 771 OE1 GLU A 53 -8.204 -8.072 7.181 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.117 -7.803 7.790 1.00 0.00 O ATOM 0 H GLU A 53 -5.769 -3.975 5.364 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.579 -4.206 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.698 -4.640 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.355 -5.202 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.590 -6.464 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.963 -6.164 5.856 1.00 0.00 H new ATOM 779 N ARG A 54 -7.474 -1.666 6.876 1.00 0.00 N ATOM 780 CA ARG A 54 -7.920 -0.478 7.606 1.00 0.00 C ATOM 781 C ARG A 54 -8.756 0.417 6.696 1.00 0.00 C ATOM 782 O ARG A 54 -9.504 1.270 7.171 1.00 0.00 O ATOM 783 CB ARG A 54 -6.745 0.312 8.212 1.00 0.00 C ATOM 784 CG ARG A 54 -5.873 1.026 7.193 1.00 0.00 C ATOM 785 CD ARG A 54 -4.769 1.837 7.854 1.00 0.00 C ATOM 786 NE ARG A 54 -5.294 2.974 8.613 1.00 0.00 N ATOM 787 CZ ARG A 54 -4.537 3.937 9.131 1.00 0.00 C ATOM 788 NH1 ARG A 54 -3.214 3.905 8.983 1.00 0.00 N ATOM 789 NH2 ARG A 54 -5.101 4.936 9.798 1.00 0.00 N ATOM 0 H ARG A 54 -6.492 -1.659 6.602 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.536 -0.819 8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.141 1.048 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.122 -0.372 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.430 0.293 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.492 1.685 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.196 1.192 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.080 2.199 7.091 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.303 3.031 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.777 3.139 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.638 4.646 9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.114 4.965 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.521 5.675 10.196 1.00 0.00 H new ATOM 803 N PHE A 55 -8.626 0.216 5.384 1.00 0.00 N ATOM 804 CA PHE A 55 -9.484 0.894 4.421 1.00 0.00 C ATOM 805 C PHE A 55 -10.629 -0.033 4.023 1.00 0.00 C ATOM 806 O PHE A 55 -11.381 0.242 3.089 1.00 0.00 O ATOM 807 CB PHE A 55 -8.687 1.342 3.191 1.00 0.00 C ATOM 808 CG PHE A 55 -7.694 2.428 3.488 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.113 3.742 3.639 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.346 2.141 3.625 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.205 4.746 3.918 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.434 3.140 3.904 1.00 0.00 C ATOM 813 CZ PHE A 55 -5.862 4.443 4.053 1.00 0.00 C ATOM 0 H PHE A 55 -7.936 -0.410 4.968 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.896 1.791 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.161 0.483 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.380 1.692 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.161 3.983 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.004 1.123 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.543 5.765 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.386 2.901 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.150 5.225 4.274 1.00 0.00 H new ATOM 823 N ASP A 56 -10.726 -1.135 4.763 1.00 0.00 N ATOM 824 CA ASP A 56 -11.806 -2.110 4.635 1.00 0.00 C ATOM 825 C ASP A 56 -11.772 -2.837 3.289 1.00 0.00 C ATOM 826 O ASP A 56 -12.762 -2.885 2.556 1.00 0.00 O ATOM 827 CB ASP A 56 -13.169 -1.449 4.867 1.00 0.00 C ATOM 828 CG ASP A 56 -14.229 -2.462 5.245 1.00 0.00 C ATOM 829 OD1 ASP A 56 -13.910 -3.394 6.017 1.00 0.00 O ATOM 830 OD2 ASP A 56 -15.392 -2.308 4.814 1.00 0.00 O ATOM 0 H ASP A 56 -10.044 -1.380 5.481 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.652 -2.863 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.081 -0.703 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.476 -0.922 3.963 1.00 0.00 H new ATOM 835 N VAL A 57 -10.611 -3.394 2.973 1.00 0.00 N ATOM 836 CA VAL A 57 -10.460 -4.279 1.833 1.00 0.00 C ATOM 837 C VAL A 57 -9.588 -5.461 2.246 1.00 0.00 C ATOM 838 O VAL A 57 -8.792 -5.344 3.176 1.00 0.00 O ATOM 839 CB VAL A 57 -9.813 -3.549 0.637 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.359 -3.243 0.934 1.00 0.00 C ATOM 841 CG2 VAL A 57 -9.940 -4.360 -0.643 1.00 0.00 C ATOM 0 H VAL A 57 -9.751 -3.244 3.500 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.446 -4.622 1.520 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.346 -2.610 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.914 -2.728 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.294 -2.607 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.821 -4.173 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.474 -3.817 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.443 -5.322 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.994 -4.523 -0.867 1.00 0.00 H new ATOM 851 N LYS A 58 -9.779 -6.602 1.607 1.00 0.00 N ATOM 852 CA LYS A 58 -8.962 -7.770 1.891 1.00 0.00 C ATOM 853 C LYS A 58 -8.505 -8.429 0.598 1.00 0.00 C ATOM 854 O LYS A 58 -9.319 -8.982 -0.150 1.00 0.00 O ATOM 855 CB LYS A 58 -9.740 -8.775 2.747 1.00 0.00 C ATOM 856 CG LYS A 58 -10.305 -8.181 4.029 1.00 0.00 C ATOM 857 CD LYS A 58 -10.928 -9.246 4.912 1.00 0.00 C ATOM 858 CE LYS A 58 -11.623 -8.639 6.122 1.00 0.00 C ATOM 859 NZ LYS A 58 -10.749 -7.676 6.844 1.00 0.00 N ATOM 0 H LYS A 58 -10.490 -6.745 0.890 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.083 -7.444 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.559 -9.185 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.083 -9.607 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.511 -7.673 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.054 -7.428 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.647 -9.825 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.156 -9.939 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.533 -8.132 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.925 -9.435 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.901 -7.770 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.753 -7.877 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.981 -6.707 6.547 1.00 0.00 H new ATOM 873 N ILE A 59 -7.212 -8.365 0.332 1.00 0.00 N ATOM 874 CA ILE A 59 -6.648 -8.987 -0.852 1.00 0.00 C ATOM 875 C ILE A 59 -5.803 -10.190 -0.438 1.00 0.00 C ATOM 876 O ILE A 59 -5.508 -10.361 0.744 1.00 0.00 O ATOM 877 CB ILE A 59 -5.787 -7.994 -1.685 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.398 -7.799 -1.076 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.480 -6.644 -1.802 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.497 -6.927 -1.923 1.00 0.00 C ATOM 0 H ILE A 59 -6.531 -7.887 0.922 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.474 -9.308 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.671 -8.430 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.501 -7.353 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.928 -8.773 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.860 -5.966 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.444 -6.771 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.633 -6.226 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.526 -6.827 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.366 -7.384 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.948 -5.942 -2.039 1.00 0.00 H new ATOM 892 N PRO A 60 -5.441 -11.075 -1.376 1.00 0.00 N ATOM 893 CA PRO A 60 -4.545 -12.190 -1.075 1.00 0.00 C ATOM 894 C PRO A 60 -3.158 -11.697 -0.676 1.00 0.00 C ATOM 895 O PRO A 60 -2.604 -10.812 -1.324 1.00 0.00 O ATOM 896 CB PRO A 60 -4.476 -12.980 -2.389 1.00 0.00 C ATOM 897 CG PRO A 60 -5.648 -12.513 -3.184 1.00 0.00 C ATOM 898 CD PRO A 60 -5.875 -11.084 -2.778 1.00 0.00 C ATOM 0 HA PRO A 60 -4.902 -12.788 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.541 -12.789 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.526 -14.054 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.450 -12.589 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.528 -13.122 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.292 -10.393 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.921 -10.795 -2.880 1.00 0.00 H new ATOM 906 N ASP A 61 -2.606 -12.274 0.390 1.00 0.00 N ATOM 907 CA ASP A 61 -1.271 -11.906 0.878 1.00 0.00 C ATOM 908 C ASP A 61 -0.266 -11.956 -0.263 1.00 0.00 C ATOM 909 O ASP A 61 0.569 -11.067 -0.430 1.00 0.00 O ATOM 910 CB ASP A 61 -0.799 -12.870 1.977 1.00 0.00 C ATOM 911 CG ASP A 61 -1.882 -13.230 2.974 1.00 0.00 C ATOM 912 OD1 ASP A 61 -2.737 -14.083 2.639 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.866 -12.698 4.101 1.00 0.00 O ATOM 0 H ASP A 61 -3.063 -13.003 0.938 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.336 -10.897 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.426 -13.783 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.038 -12.419 2.510 1.00 0.00 H new ATOM 918 N ASP A 62 -0.375 -13.015 -1.049 1.00 0.00 N ATOM 919 CA ASP A 62 0.495 -13.238 -2.195 1.00 0.00 C ATOM 920 C ASP A 62 0.443 -12.074 -3.184 1.00 0.00 C ATOM 921 O ASP A 62 1.444 -11.754 -3.828 1.00 0.00 O ATOM 922 CB ASP A 62 0.081 -14.533 -2.891 1.00 0.00 C ATOM 923 CG ASP A 62 0.924 -14.849 -4.109 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.987 -15.485 -3.951 1.00 0.00 O ATOM 925 OD2 ASP A 62 0.520 -14.478 -5.229 1.00 0.00 O ATOM 0 H ASP A 62 -1.071 -13.747 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 62 1.521 -13.314 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.153 -15.358 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.965 -14.460 -3.189 1.00 0.00 H new ATOM 930 N ASP A 63 -0.709 -11.418 -3.272 1.00 0.00 N ATOM 931 CA ASP A 63 -0.916 -10.382 -4.275 1.00 0.00 C ATOM 932 C ASP A 63 -0.151 -9.111 -3.920 1.00 0.00 C ATOM 933 O ASP A 63 0.363 -8.435 -4.808 1.00 0.00 O ATOM 934 CB ASP A 63 -2.403 -10.069 -4.446 1.00 0.00 C ATOM 935 CG ASP A 63 -2.686 -9.343 -5.750 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.614 -8.101 -5.779 1.00 0.00 O ATOM 937 OD2 ASP A 63 -2.985 -10.022 -6.759 1.00 0.00 O ATOM 0 H ASP A 63 -1.510 -11.585 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.532 -10.764 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.974 -10.997 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.743 -9.458 -3.610 1.00 0.00 H new ATOM 942 N VAL A 64 -0.049 -8.795 -2.622 1.00 0.00 N ATOM 943 CA VAL A 64 0.721 -7.626 -2.186 1.00 0.00 C ATOM 944 C VAL A 64 2.164 -7.757 -2.658 1.00 0.00 C ATOM 945 O VAL A 64 2.754 -6.805 -3.156 1.00 0.00 O ATOM 946 CB VAL A 64 0.714 -7.426 -0.646 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.488 -6.171 -0.267 1.00 0.00 C ATOM 948 CG2 VAL A 64 -0.705 -7.346 -0.104 1.00 0.00 C ATOM 0 H VAL A 64 -0.484 -9.325 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 64 0.239 -6.755 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 64 1.200 -8.293 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.472 -6.047 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.520 -6.263 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.027 -5.303 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.674 -7.206 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.223 -6.505 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.235 -8.270 -0.335 1.00 0.00 H new ATOM 958 N LYS A 65 2.714 -8.957 -2.527 1.00 0.00 N ATOM 959 CA LYS A 65 4.080 -9.231 -2.964 1.00 0.00 C ATOM 960 C LYS A 65 4.155 -9.326 -4.493 1.00 0.00 C ATOM 961 O LYS A 65 5.219 -9.149 -5.091 1.00 0.00 O ATOM 962 CB LYS A 65 4.590 -10.525 -2.303 1.00 0.00 C ATOM 963 CG LYS A 65 5.926 -11.022 -2.838 1.00 0.00 C ATOM 964 CD LYS A 65 7.010 -9.965 -2.731 1.00 0.00 C ATOM 965 CE LYS A 65 8.164 -10.271 -3.670 1.00 0.00 C ATOM 966 NZ LYS A 65 7.708 -10.389 -5.083 1.00 0.00 N ATOM 0 H LYS A 65 2.234 -9.760 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 65 4.721 -8.406 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.682 -10.358 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.844 -11.307 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.230 -11.911 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.811 -11.319 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.593 -8.986 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.375 -9.916 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.914 -9.483 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.646 -11.200 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.435 -9.999 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.549 -11.390 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.821 -9.860 -5.207 1.00 0.00 H new ATOM 980 N ASN A 66 3.020 -9.576 -5.125 1.00 0.00 N ATOM 981 CA ASN A 66 2.970 -9.728 -6.573 1.00 0.00 C ATOM 982 C ASN A 66 3.128 -8.365 -7.248 1.00 0.00 C ATOM 983 O ASN A 66 3.641 -8.264 -8.361 1.00 0.00 O ATOM 984 CB ASN A 66 1.651 -10.396 -6.976 1.00 0.00 C ATOM 985 CG ASN A 66 1.630 -10.907 -8.410 1.00 0.00 C ATOM 986 OD1 ASN A 66 2.206 -10.311 -9.321 1.00 0.00 O ATOM 987 ND2 ASN A 66 0.978 -12.039 -8.619 1.00 0.00 N ATOM 0 H ASN A 66 2.119 -9.678 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 66 3.792 -10.364 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.456 -11.229 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.838 -9.682 -6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.943 -12.442 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.511 -12.509 -7.844 1.00 0.00 H new ATOM 994 N LEU A 67 2.708 -7.314 -6.555 1.00 0.00 N ATOM 995 CA LEU A 67 2.837 -5.958 -7.077 1.00 0.00 C ATOM 996 C LEU A 67 4.186 -5.354 -6.702 1.00 0.00 C ATOM 997 O LEU A 67 4.658 -5.502 -5.575 1.00 0.00 O ATOM 998 CB LEU A 67 1.670 -5.081 -6.605 1.00 0.00 C ATOM 999 CG LEU A 67 1.339 -5.113 -5.112 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.745 -3.815 -4.428 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.148 -5.372 -4.910 1.00 0.00 C ATOM 0 H LEU A 67 2.276 -7.373 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 67 2.795 -6.004 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.887 -4.049 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.778 -5.378 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 67 1.908 -5.924 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.497 -3.869 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.818 -3.664 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.211 -2.981 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.372 -5.393 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.724 -4.578 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.414 -6.331 -5.355 1.00 0.00 H new ATOM 1013 N LYS A 68 4.809 -4.683 -7.665 1.00 0.00 N ATOM 1014 CA LYS A 68 6.181 -4.211 -7.503 1.00 0.00 C ATOM 1015 C LYS A 68 6.246 -2.732 -7.130 1.00 0.00 C ATOM 1016 O LYS A 68 7.295 -2.244 -6.715 1.00 0.00 O ATOM 1017 CB LYS A 68 7.000 -4.450 -8.779 1.00 0.00 C ATOM 1018 CG LYS A 68 7.374 -5.907 -9.035 1.00 0.00 C ATOM 1019 CD LYS A 68 6.192 -6.715 -9.541 1.00 0.00 C ATOM 1020 CE LYS A 68 6.565 -8.171 -9.767 1.00 0.00 C ATOM 1021 NZ LYS A 68 5.423 -8.957 -10.302 1.00 0.00 N ATOM 0 H LYS A 68 4.387 -4.454 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 68 6.609 -4.787 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.433 -4.080 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.914 -3.859 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.183 -5.951 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.750 -6.352 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.375 -6.656 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.828 -6.283 -10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.403 -8.228 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.900 -8.610 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.666 -9.968 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.585 -8.801 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.218 -8.653 -11.275 1.00 0.00 H new ATOM 1035 N THR A 69 5.146 -2.011 -7.294 1.00 0.00 N ATOM 1036 CA THR A 69 5.100 -0.606 -6.902 1.00 0.00 C ATOM 1037 C THR A 69 4.100 -0.427 -5.775 1.00 0.00 C ATOM 1038 O THR A 69 3.207 -1.256 -5.606 1.00 0.00 O ATOM 1039 CB THR A 69 4.704 0.315 -8.078 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.322 0.145 -8.397 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.546 0.008 -9.305 1.00 0.00 C ATOM 0 H THR A 69 4.279 -2.370 -7.693 1.00 0.00 H new ATOM 0 HA THR A 69 6.101 -0.324 -6.577 1.00 0.00 H new ATOM 0 HB THR A 69 4.881 1.347 -7.774 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.054 -0.778 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.252 0.667 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.599 0.166 -9.072 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.392 -1.029 -9.602 1.00 0.00 H new ATOM 1049 N VAL A 70 4.235 0.638 -4.995 1.00 0.00 N ATOM 1050 CA VAL A 70 3.263 0.902 -3.948 1.00 0.00 C ATOM 1051 C VAL A 70 1.940 1.323 -4.578 1.00 0.00 C ATOM 1052 O VAL A 70 0.865 1.119 -4.010 1.00 0.00 O ATOM 1053 CB VAL A 70 3.776 1.959 -2.939 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.502 3.078 -3.654 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.641 2.516 -2.094 1.00 0.00 C ATOM 0 H VAL A 70 4.992 1.318 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 70 3.107 -0.014 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 70 4.479 1.461 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.853 3.808 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.354 2.670 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.823 3.563 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.035 3.255 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.902 2.987 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.171 1.706 -1.537 1.00 0.00 H new ATOM 1065 N GLY A 71 2.030 1.847 -5.793 1.00 0.00 N ATOM 1066 CA GLY A 71 0.853 2.276 -6.505 1.00 0.00 C ATOM 1067 C GLY A 71 -0.082 1.132 -6.837 1.00 0.00 C ATOM 1068 O GLY A 71 -1.301 1.291 -6.784 1.00 0.00 O ATOM 0 H GLY A 71 2.906 1.981 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.319 3.013 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.153 2.773 -7.427 1.00 0.00 H new ATOM 1072 N ASP A 72 0.491 -0.021 -7.170 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.297 -1.194 -7.539 1.00 0.00 C ATOM 1074 C ASP A 72 -1.269 -1.567 -6.427 1.00 0.00 C ATOM 1075 O ASP A 72 -2.476 -1.605 -6.644 1.00 0.00 O ATOM 1076 CB ASP A 72 0.598 -2.394 -7.846 1.00 0.00 C ATOM 1077 CG ASP A 72 1.467 -2.219 -9.074 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.920 -2.028 -10.177 1.00 0.00 O ATOM 1079 OD2 ASP A 72 2.710 -2.279 -8.939 1.00 0.00 O ATOM 0 H ASP A 72 1.500 -0.169 -7.192 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.857 -0.933 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.239 -2.586 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.028 -3.276 -7.980 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.735 -1.831 -5.233 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.563 -2.182 -4.077 1.00 0.00 C ATOM 1086 C ALA A 73 -2.594 -1.122 -3.820 1.00 0.00 C ATOM 1087 O ALA A 73 -3.774 -1.408 -3.663 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.732 -2.313 -2.823 1.00 0.00 C ATOM 0 H ALA A 73 0.267 -1.809 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.038 -3.134 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.377 -2.574 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.016 -3.094 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.234 -1.366 -2.616 1.00 0.00 H new ATOM 1094 N THR A 74 -2.121 0.103 -3.769 1.00 0.00 N ATOM 1095 CA THR A 74 -2.960 1.228 -3.468 1.00 0.00 C ATOM 1096 C THR A 74 -4.148 1.295 -4.427 1.00 0.00 C ATOM 1097 O THR A 74 -5.295 1.369 -3.997 1.00 0.00 O ATOM 1098 CB THR A 74 -2.149 2.524 -3.537 1.00 0.00 C ATOM 1099 OG1 THR A 74 -0.996 2.424 -2.695 1.00 0.00 O ATOM 1100 CG2 THR A 74 -2.982 3.688 -3.085 1.00 0.00 C ATOM 0 H THR A 74 -1.143 0.341 -3.936 1.00 0.00 H new ATOM 0 HA THR A 74 -3.347 1.105 -2.456 1.00 0.00 H new ATOM 0 HB THR A 74 -1.840 2.680 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.217 2.175 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.390 4.602 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.856 3.782 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.305 3.527 -2.057 1.00 0.00 H new ATOM 1108 N LYS A 75 -3.865 1.223 -5.723 1.00 0.00 N ATOM 1109 CA LYS A 75 -4.906 1.285 -6.738 1.00 0.00 C ATOM 1110 C LYS A 75 -5.786 0.037 -6.674 1.00 0.00 C ATOM 1111 O LYS A 75 -6.978 0.089 -6.971 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.271 1.412 -8.120 1.00 0.00 C ATOM 1113 CG LYS A 75 -5.126 2.156 -9.131 1.00 0.00 C ATOM 1114 CD LYS A 75 -5.183 3.650 -8.833 1.00 0.00 C ATOM 1115 CE LYS A 75 -5.809 4.419 -9.985 1.00 0.00 C ATOM 1116 NZ LYS A 75 -5.073 4.212 -11.263 1.00 0.00 N ATOM 0 H LYS A 75 -2.920 1.121 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.531 2.158 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.314 1.925 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.060 0.414 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.724 2.000 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.136 1.745 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.759 3.820 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.176 4.025 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.845 4.105 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.825 5.482 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.301 4.982 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.050 4.206 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.354 3.303 -11.682 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.181 -1.079 -6.276 1.00 0.00 N ATOM 1131 CA TYR A 76 -5.889 -2.348 -6.118 1.00 0.00 C ATOM 1132 C TYR A 76 -6.892 -2.240 -4.973 1.00 0.00 C ATOM 1133 O TYR A 76 -8.033 -2.695 -5.081 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.874 -3.461 -5.837 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.365 -4.862 -6.114 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.741 -5.243 -7.395 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.412 -5.814 -5.104 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -6.152 -6.535 -7.661 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.827 -7.107 -5.359 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.194 -7.463 -6.640 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.597 -8.756 -6.905 1.00 0.00 O ATOM 0 H TYR A 76 -4.187 -1.130 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.432 -2.584 -7.033 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.983 -3.279 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.571 -3.399 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.712 -4.519 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.119 -5.539 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.439 -6.818 -8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.864 -7.834 -4.561 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.569 -9.283 -6.079 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.445 -1.619 -3.882 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.302 -1.321 -2.741 1.00 0.00 C ATOM 1153 C ILE A 77 -8.458 -0.426 -3.169 1.00 0.00 C ATOM 1154 O ILE A 77 -9.599 -0.613 -2.757 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.505 -0.624 -1.610 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.499 -1.597 -0.990 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.444 -0.073 -0.541 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.546 -0.944 -0.011 1.00 0.00 C ATOM 0 H ILE A 77 -5.480 -1.310 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.692 -2.266 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.959 0.213 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.043 -2.392 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.922 -2.067 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.860 0.411 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.121 0.653 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.023 -0.890 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.863 -1.694 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.975 -0.168 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.113 -0.499 0.807 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.144 0.527 -4.023 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.101 1.531 -4.455 1.00 0.00 C ATOM 1172 C LEU A 78 -10.139 0.956 -5.414 1.00 0.00 C ATOM 1173 O LEU A 78 -11.319 1.299 -5.347 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.342 2.681 -5.112 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.323 3.367 -4.199 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.607 4.474 -4.954 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.028 3.917 -2.971 1.00 0.00 C ATOM 0 H LEU A 78 -7.218 0.629 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.646 1.891 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.825 2.303 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.060 3.424 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.578 2.640 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.884 4.955 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.088 4.051 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.334 5.211 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.301 4.405 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.783 4.640 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.507 3.101 -2.430 1.00 0.00 H new ATOM 1189 N ASP A 79 -9.699 0.076 -6.298 1.00 0.00 N ATOM 1190 CA ASP A 79 -10.584 -0.504 -7.301 1.00 0.00 C ATOM 1191 C ASP A 79 -11.480 -1.583 -6.693 1.00 0.00 C ATOM 1192 O ASP A 79 -12.591 -1.817 -7.165 1.00 0.00 O ATOM 1193 CB ASP A 79 -9.760 -1.084 -8.451 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.619 -1.663 -9.559 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -11.239 -0.881 -10.309 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -10.651 -2.900 -9.705 1.00 0.00 O ATOM 0 H ASP A 79 -8.735 -0.254 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.228 0.287 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.121 -0.303 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.102 -1.862 -8.064 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.005 -2.223 -5.628 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.742 -3.325 -5.015 1.00 0.00 C ATOM 1203 C HIS A 80 -12.161 -2.989 -3.588 1.00 0.00 C ATOM 1204 O HIS A 80 -12.356 -3.882 -2.766 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.891 -4.598 -5.015 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.558 -5.094 -6.382 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -11.368 -5.951 -7.089 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -9.496 -4.840 -7.177 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -10.816 -6.201 -8.260 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -9.680 -5.538 -8.343 1.00 0.00 N ATOM 0 H HIS A 80 -10.119 -2.000 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.642 -3.490 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.966 -4.406 -4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.423 -5.380 -4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.656 -4.204 -6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.227 -6.843 -9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.044 -5.543 -9.141 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.318 -1.703 -3.305 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.672 -1.254 -1.960 1.00 0.00 C ATOM 1221 C GLN A 81 -14.119 -1.613 -1.614 1.00 0.00 C ATOM 1222 O GLN A 81 -15.029 -1.406 -2.425 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.462 0.259 -1.827 1.00 0.00 C ATOM 1224 CG GLN A 81 -13.275 1.086 -2.811 1.00 0.00 C ATOM 1225 CD GLN A 81 -13.062 2.577 -2.644 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.872 2.965 -2.208 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 -13.959 3.378 -2.909 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.207 -0.951 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.017 -1.769 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.720 0.563 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.404 0.482 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.008 0.797 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.333 0.858 -2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.862 3.041 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.799 4.379 -2.795 1.00 0.00 H new