USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -2.36! K(o=-2.5!,f=1.5) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -1.46! X(o=-2.5!,f=-2.6) USER MOD Set 1.3: A 81 THR OG1 : rot -85:sc= 1.34 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0219) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.0976 (180deg=-1.07) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.87! C(o=-3.9!,f=-5.5!) USER MOD Single : A 33 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 65 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.700 13.749 2.790 1.00 0.00 N ATOM 2 CA MET A 1 3.305 14.089 2.394 1.00 0.00 C ATOM 3 C MET A 1 2.398 13.987 3.620 1.00 0.00 C ATOM 4 O MET A 1 2.798 14.282 4.729 1.00 0.00 O ATOM 5 CB MET A 1 2.822 13.102 1.330 1.00 0.00 C ATOM 6 CG MET A 1 3.754 13.155 0.120 1.00 0.00 C ATOM 7 SD MET A 1 3.079 12.128 -1.209 1.00 0.00 S ATOM 8 CE MET A 1 4.458 12.318 -2.365 1.00 0.00 C ATOM 0 H1 MET A 1 5.363 14.388 2.308 1.00 0.00 H new ATOM 0 H2 MET A 1 4.804 13.854 3.819 1.00 0.00 H new ATOM 0 H3 MET A 1 4.908 12.766 2.520 1.00 0.00 H new ATOM 0 HA MET A 1 3.275 15.102 1.993 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.799 12.092 1.740 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.804 13.347 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.865 14.184 -0.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.747 12.803 0.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.205 11.845 -3.314 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.652 13.378 -2.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.348 11.846 -1.950 1.00 0.00 H new ATOM 20 N GLN A 2 1.181 13.559 3.431 1.00 0.00 N ATOM 21 CA GLN A 2 0.252 13.423 4.586 1.00 0.00 C ATOM 22 C GLN A 2 0.287 11.975 5.072 1.00 0.00 C ATOM 23 O GLN A 2 -0.048 11.060 4.347 1.00 0.00 O ATOM 24 CB GLN A 2 -1.169 13.782 4.144 1.00 0.00 C ATOM 25 CG GLN A 2 -2.103 13.763 5.356 1.00 0.00 C ATOM 26 CD GLN A 2 -1.807 14.970 6.248 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.994 16.100 5.843 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.348 14.777 7.455 1.00 0.00 N ATOM 0 H GLN A 2 0.790 13.298 2.526 1.00 0.00 H new ATOM 0 HA GLN A 2 0.555 14.093 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.178 14.768 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.517 13.073 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.142 13.786 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.967 12.840 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.191 13.828 7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.147 15.575 8.058 1.00 0.00 H new ATOM 37 N HIS A 3 0.703 11.754 6.289 1.00 0.00 N ATOM 38 CA HIS A 3 0.769 10.359 6.801 1.00 0.00 C ATOM 39 C HIS A 3 1.580 9.515 5.816 1.00 0.00 C ATOM 40 O HIS A 3 1.378 8.324 5.685 1.00 0.00 O ATOM 41 CB HIS A 3 -0.646 9.789 6.922 1.00 0.00 C ATOM 42 CG HIS A 3 -1.497 10.728 7.733 1.00 0.00 C ATOM 43 ND1 HIS A 3 -2.881 10.633 7.764 1.00 0.00 N ATOM 44 CD2 HIS A 3 -1.175 11.786 8.547 1.00 0.00 C ATOM 45 CE1 HIS A 3 -3.337 11.608 8.573 1.00 0.00 C ATOM 46 NE2 HIS A 3 -2.337 12.337 9.073 1.00 0.00 N ATOM 0 H HIS A 3 0.998 12.476 6.947 1.00 0.00 H new ATOM 0 HA HIS A 3 1.243 10.344 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.080 9.651 5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.615 8.808 7.396 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.173 12.136 8.747 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.381 11.779 8.790 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.410 13.132 9.708 1.00 0.00 H new ATOM 55 N ALA A 4 2.494 10.133 5.117 1.00 0.00 N ATOM 56 CA ALA A 4 3.321 9.383 4.130 1.00 0.00 C ATOM 57 C ALA A 4 4.128 8.300 4.847 1.00 0.00 C ATOM 58 O ALA A 4 4.356 7.230 4.317 1.00 0.00 O ATOM 59 CB ALA A 4 4.280 10.351 3.433 1.00 0.00 C ATOM 0 H ALA A 4 2.704 11.129 5.188 1.00 0.00 H new ATOM 0 HA ALA A 4 2.667 8.917 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.886 9.805 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.708 11.122 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.930 10.816 4.174 1.00 0.00 H new ATOM 65 N SER A 5 4.571 8.568 6.044 1.00 0.00 N ATOM 66 CA SER A 5 5.370 7.552 6.784 1.00 0.00 C ATOM 67 C SER A 5 4.546 6.278 6.971 1.00 0.00 C ATOM 68 O SER A 5 5.055 5.179 6.867 1.00 0.00 O ATOM 69 CB SER A 5 5.766 8.111 8.152 1.00 0.00 C ATOM 70 OG SER A 5 6.438 9.351 7.976 1.00 0.00 O ATOM 0 H SER A 5 4.415 9.445 6.541 1.00 0.00 H new ATOM 0 HA SER A 5 6.268 7.317 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.880 8.249 8.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.412 7.405 8.673 1.00 0.00 H new ATOM 0 HG SER A 5 6.692 9.713 8.851 1.00 0.00 H new ATOM 76 N VAL A 6 3.278 6.410 7.241 1.00 0.00 N ATOM 77 CA VAL A 6 2.432 5.198 7.425 1.00 0.00 C ATOM 78 C VAL A 6 2.385 4.412 6.119 1.00 0.00 C ATOM 79 O VAL A 6 2.458 3.203 6.104 1.00 0.00 O ATOM 80 CB VAL A 6 1.014 5.609 7.817 1.00 0.00 C ATOM 81 CG1 VAL A 6 0.091 4.388 7.756 1.00 0.00 C ATOM 82 CG2 VAL A 6 1.019 6.170 9.240 1.00 0.00 C ATOM 0 H VAL A 6 2.792 7.301 7.342 1.00 0.00 H new ATOM 0 HA VAL A 6 2.859 4.579 8.214 1.00 0.00 H new ATOM 0 HB VAL A 6 0.655 6.372 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.921 4.682 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.085 3.987 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.451 3.625 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.007 6.463 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.379 5.407 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.674 7.040 9.286 1.00 0.00 H new ATOM 92 N ILE A 7 2.261 5.095 5.019 1.00 0.00 N ATOM 93 CA ILE A 7 2.201 4.392 3.710 1.00 0.00 C ATOM 94 C ILE A 7 3.477 3.576 3.500 1.00 0.00 C ATOM 95 O ILE A 7 3.432 2.414 3.149 1.00 0.00 O ATOM 96 CB ILE A 7 2.066 5.431 2.600 1.00 0.00 C ATOM 97 CG1 ILE A 7 0.792 6.245 2.831 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.985 4.728 1.244 1.00 0.00 C ATOM 99 CD1 ILE A 7 0.730 7.396 1.829 1.00 0.00 C ATOM 0 H ILE A 7 2.198 6.112 4.969 1.00 0.00 H new ATOM 0 HA ILE A 7 1.345 3.717 3.693 1.00 0.00 H new ATOM 0 HB ILE A 7 2.933 6.092 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.084 5.606 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.777 6.635 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.889 5.472 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.890 4.143 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.118 4.067 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.179 7.975 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.600 8.040 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.725 6.996 0.815 1.00 0.00 H new ATOM 111 N ALA A 8 4.616 4.174 3.714 1.00 0.00 N ATOM 112 CA ALA A 8 5.894 3.429 3.528 1.00 0.00 C ATOM 113 C ALA A 8 5.969 2.281 4.534 1.00 0.00 C ATOM 114 O ALA A 8 6.322 1.168 4.200 1.00 0.00 O ATOM 115 CB ALA A 8 7.073 4.377 3.747 1.00 0.00 C ATOM 0 H ALA A 8 4.718 5.145 4.009 1.00 0.00 H new ATOM 0 HA ALA A 8 5.934 3.026 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.008 3.833 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.021 5.194 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.032 4.781 4.759 1.00 0.00 H new ATOM 121 N GLN A 9 5.638 2.544 5.766 1.00 0.00 N ATOM 122 CA GLN A 9 5.685 1.472 6.798 1.00 0.00 C ATOM 123 C GLN A 9 4.581 0.447 6.527 1.00 0.00 C ATOM 124 O GLN A 9 4.728 -0.725 6.805 1.00 0.00 O ATOM 125 CB GLN A 9 5.532 2.095 8.197 1.00 0.00 C ATOM 126 CG GLN A 9 4.092 1.966 8.702 1.00 0.00 C ATOM 127 CD GLN A 9 3.835 0.540 9.194 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.652 -0.033 9.888 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.725 -0.060 8.861 1.00 0.00 N ATOM 0 H GLN A 9 5.336 3.458 6.104 1.00 0.00 H new ATOM 0 HA GLN A 9 6.646 0.959 6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.211 1.603 8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.816 3.147 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.917 2.676 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.394 2.215 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.040 0.421 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.543 -1.010 9.183 1.00 0.00 H new ATOM 138 N PHE A 10 3.471 0.881 6.001 1.00 0.00 N ATOM 139 CA PHE A 10 2.353 -0.066 5.733 1.00 0.00 C ATOM 140 C PHE A 10 2.816 -1.171 4.780 1.00 0.00 C ATOM 141 O PHE A 10 2.646 -2.342 5.048 1.00 0.00 O ATOM 142 CB PHE A 10 1.199 0.708 5.091 1.00 0.00 C ATOM 143 CG PHE A 10 -0.015 -0.177 4.962 1.00 0.00 C ATOM 144 CD1 PHE A 10 -0.205 -0.943 3.806 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.959 -0.218 5.994 1.00 0.00 C ATOM 146 CE1 PHE A 10 -1.341 -1.750 3.683 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.093 -1.027 5.872 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.284 -1.792 4.717 1.00 0.00 C ATOM 0 H PHE A 10 3.289 1.851 5.745 1.00 0.00 H new ATOM 0 HA PHE A 10 2.028 -0.521 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.958 1.583 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.498 1.072 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.524 -0.911 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.812 0.375 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.491 -2.340 2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.821 -1.061 6.669 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.160 -2.416 4.623 1.00 0.00 H new ATOM 158 N VAL A 11 3.394 -0.813 3.671 1.00 0.00 N ATOM 159 CA VAL A 11 3.859 -1.852 2.705 1.00 0.00 C ATOM 160 C VAL A 11 5.131 -2.541 3.217 1.00 0.00 C ATOM 161 O VAL A 11 5.257 -3.747 3.161 1.00 0.00 O ATOM 162 CB VAL A 11 4.142 -1.197 1.351 1.00 0.00 C ATOM 163 CG1 VAL A 11 5.349 -0.265 1.470 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.440 -2.283 0.315 1.00 0.00 C ATOM 0 H VAL A 11 3.566 0.152 3.388 1.00 0.00 H new ATOM 0 HA VAL A 11 3.077 -2.604 2.598 1.00 0.00 H new ATOM 0 HB VAL A 11 3.271 -0.621 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.547 0.199 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.140 0.509 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.222 -0.838 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.642 -1.819 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.311 -2.858 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.580 -2.947 0.226 1.00 0.00 H new ATOM 174 N VAL A 12 6.081 -1.782 3.691 1.00 0.00 N ATOM 175 CA VAL A 12 7.361 -2.384 4.178 1.00 0.00 C ATOM 176 C VAL A 12 7.127 -3.285 5.395 1.00 0.00 C ATOM 177 O VAL A 12 7.753 -4.316 5.541 1.00 0.00 O ATOM 178 CB VAL A 12 8.327 -1.265 4.558 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.561 -1.862 5.236 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.753 -0.510 3.298 1.00 0.00 C ATOM 0 H VAL A 12 6.028 -0.766 3.763 1.00 0.00 H new ATOM 0 HA VAL A 12 7.780 -2.994 3.378 1.00 0.00 H new ATOM 0 HB VAL A 12 7.833 -0.578 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.250 -1.062 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.258 -2.400 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.056 -2.550 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.443 0.289 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.246 -1.198 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.874 -0.083 2.815 1.00 0.00 H new ATOM 190 N GLU A 13 6.251 -2.902 6.276 1.00 0.00 N ATOM 191 CA GLU A 13 6.002 -3.735 7.490 1.00 0.00 C ATOM 192 C GLU A 13 5.543 -5.135 7.080 1.00 0.00 C ATOM 193 O GLU A 13 5.804 -6.109 7.757 1.00 0.00 O ATOM 194 CB GLU A 13 4.921 -3.077 8.348 1.00 0.00 C ATOM 195 CG GLU A 13 4.746 -3.861 9.647 1.00 0.00 C ATOM 196 CD GLU A 13 3.568 -3.287 10.435 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.965 -2.342 9.956 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.288 -3.803 11.505 1.00 0.00 O ATOM 0 H GLU A 13 5.695 -2.049 6.212 1.00 0.00 H new ATOM 0 HA GLU A 13 6.926 -3.815 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.196 -2.046 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.979 -3.045 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.572 -4.914 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.657 -3.806 10.243 1.00 0.00 H new ATOM 205 N GLU A 14 4.842 -5.238 5.989 1.00 0.00 N ATOM 206 CA GLU A 14 4.340 -6.568 5.542 1.00 0.00 C ATOM 207 C GLU A 14 5.495 -7.493 5.139 1.00 0.00 C ATOM 208 O GLU A 14 5.413 -8.694 5.308 1.00 0.00 O ATOM 209 CB GLU A 14 3.415 -6.376 4.339 1.00 0.00 C ATOM 210 CG GLU A 14 2.781 -7.716 3.967 1.00 0.00 C ATOM 211 CD GLU A 14 1.932 -7.547 2.706 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.898 -6.446 2.184 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.331 -8.521 2.285 1.00 0.00 O ATOM 0 H GLU A 14 4.593 -4.456 5.383 1.00 0.00 H new ATOM 0 HA GLU A 14 3.803 -7.027 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.639 -5.647 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.977 -5.980 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.557 -8.463 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.163 -8.078 4.788 1.00 0.00 H new ATOM 220 N PHE A 15 6.549 -6.962 4.577 1.00 0.00 N ATOM 221 CA PHE A 15 7.675 -7.842 4.131 1.00 0.00 C ATOM 222 C PHE A 15 8.909 -7.666 5.022 1.00 0.00 C ATOM 223 O PHE A 15 9.492 -8.635 5.467 1.00 0.00 O ATOM 224 CB PHE A 15 8.030 -7.487 2.687 1.00 0.00 C ATOM 225 CG PHE A 15 6.752 -7.359 1.900 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.134 -8.496 1.368 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.175 -6.099 1.722 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.938 -8.370 0.653 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.978 -5.971 1.012 1.00 0.00 C ATOM 230 CZ PHE A 15 4.359 -7.107 0.476 1.00 0.00 C ATOM 0 H PHE A 15 6.681 -5.965 4.407 1.00 0.00 H new ATOM 0 HA PHE A 15 7.357 -8.882 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.591 -6.553 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.667 -8.258 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.580 -9.470 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.654 -5.223 2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.462 -9.246 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.531 -4.997 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.435 -7.009 -0.074 1.00 0.00 H new ATOM 240 N LEU A 16 9.327 -6.451 5.272 1.00 0.00 N ATOM 241 CA LEU A 16 10.542 -6.244 6.120 1.00 0.00 C ATOM 242 C LEU A 16 10.226 -5.312 7.294 1.00 0.00 C ATOM 243 O LEU A 16 10.501 -4.129 7.251 1.00 0.00 O ATOM 244 CB LEU A 16 11.649 -5.623 5.264 1.00 0.00 C ATOM 245 CG LEU A 16 12.674 -6.698 4.901 1.00 0.00 C ATOM 246 CD1 LEU A 16 13.664 -6.135 3.879 1.00 0.00 C ATOM 247 CD2 LEU A 16 13.431 -7.125 6.160 1.00 0.00 C ATOM 0 H LEU A 16 8.884 -5.599 4.929 1.00 0.00 H new ATOM 0 HA LEU A 16 10.867 -7.207 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.224 -5.190 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.133 -4.812 5.808 1.00 0.00 H new ATOM 0 HG LEU A 16 12.161 -7.560 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.395 -6.901 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.126 -5.829 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.177 -5.274 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.162 -7.891 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.944 -6.263 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.727 -7.525 6.890 1.00 0.00 H new ATOM 259 N PRO A 17 9.669 -5.851 8.346 1.00 0.00 N ATOM 260 CA PRO A 17 9.325 -5.087 9.566 1.00 0.00 C ATOM 261 C PRO A 17 10.467 -5.088 10.590 1.00 0.00 C ATOM 262 O PRO A 17 10.502 -4.276 11.493 1.00 0.00 O ATOM 263 CB PRO A 17 8.113 -5.835 10.117 1.00 0.00 C ATOM 264 CG PRO A 17 8.174 -7.221 9.544 1.00 0.00 C ATOM 265 CD PRO A 17 9.290 -7.255 8.492 1.00 0.00 C ATOM 0 HA PRO A 17 9.134 -4.035 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.137 -5.864 11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.186 -5.337 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.371 -7.949 10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.218 -7.489 9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.132 -7.865 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.940 -7.676 7.549 1.00 0.00 H new ATOM 273 N ASP A 18 11.401 -5.994 10.457 1.00 0.00 N ATOM 274 CA ASP A 18 12.533 -6.041 11.423 1.00 0.00 C ATOM 275 C ASP A 18 13.509 -4.914 11.095 1.00 0.00 C ATOM 276 O ASP A 18 14.469 -4.676 11.801 1.00 0.00 O ATOM 277 CB ASP A 18 13.242 -7.387 11.302 1.00 0.00 C ATOM 278 CG ASP A 18 12.315 -8.500 11.795 1.00 0.00 C ATOM 279 OD1 ASP A 18 11.302 -8.179 12.393 1.00 0.00 O ATOM 280 OD2 ASP A 18 12.635 -9.655 11.565 1.00 0.00 O ATOM 0 H ASP A 18 11.427 -6.701 9.722 1.00 0.00 H new ATOM 0 HA ASP A 18 12.162 -5.920 12.441 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.526 -7.568 10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.161 -7.379 11.887 1.00 0.00 H new ATOM 285 N VAL A 19 13.249 -4.206 10.033 1.00 0.00 N ATOM 286 CA VAL A 19 14.126 -3.071 9.640 1.00 0.00 C ATOM 287 C VAL A 19 13.320 -1.784 9.790 1.00 0.00 C ATOM 288 O VAL A 19 12.132 -1.765 9.539 1.00 0.00 O ATOM 289 CB VAL A 19 14.567 -3.238 8.185 1.00 0.00 C ATOM 290 CG1 VAL A 19 15.550 -2.125 7.818 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.250 -4.597 8.013 1.00 0.00 C ATOM 0 H VAL A 19 12.456 -4.368 9.413 1.00 0.00 H new ATOM 0 HA VAL A 19 15.015 -3.040 10.271 1.00 0.00 H new ATOM 0 HB VAL A 19 13.695 -3.182 7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.864 -2.244 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.066 -1.156 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.422 -2.180 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.565 -4.717 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.121 -4.651 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.551 -5.391 8.274 1.00 0.00 H new ATOM 301 N ALA A 20 13.931 -0.712 10.205 1.00 0.00 N ATOM 302 CA ALA A 20 13.147 0.540 10.369 1.00 0.00 C ATOM 303 C ALA A 20 12.560 0.933 9.002 1.00 0.00 C ATOM 304 O ALA A 20 13.295 1.233 8.082 1.00 0.00 O ATOM 305 CB ALA A 20 14.074 1.656 10.858 1.00 0.00 C ATOM 0 H ALA A 20 14.923 -0.648 10.434 1.00 0.00 H new ATOM 0 HA ALA A 20 12.346 0.389 11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.503 2.576 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.512 1.372 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.868 1.815 10.128 1.00 0.00 H new ATOM 311 N PRO A 21 11.250 0.932 8.856 1.00 0.00 N ATOM 312 CA PRO A 21 10.612 1.298 7.563 1.00 0.00 C ATOM 313 C PRO A 21 10.892 2.753 7.181 1.00 0.00 C ATOM 314 O PRO A 21 11.030 3.086 6.021 1.00 0.00 O ATOM 315 CB PRO A 21 9.111 1.063 7.767 1.00 0.00 C ATOM 316 CG PRO A 21 8.899 0.705 9.206 1.00 0.00 C ATOM 317 CD PRO A 21 10.261 0.591 9.890 1.00 0.00 C ATOM 0 HA PRO A 21 11.011 0.698 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.545 1.958 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.757 0.262 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.292 1.464 9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.357 -0.237 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 21 10.331 1.270 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.425 -0.416 10.273 1.00 0.00 H new ATOM 325 N ALA A 22 10.991 3.618 8.151 1.00 0.00 N ATOM 326 CA ALA A 22 11.278 5.048 7.849 1.00 0.00 C ATOM 327 C ALA A 22 12.740 5.181 7.422 1.00 0.00 C ATOM 328 O ALA A 22 13.151 6.182 6.869 1.00 0.00 O ATOM 329 CB ALA A 22 11.030 5.895 9.099 1.00 0.00 C ATOM 0 H ALA A 22 10.885 3.396 9.141 1.00 0.00 H new ATOM 0 HA ALA A 22 10.626 5.394 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.240 6.941 8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.990 5.792 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.683 5.556 9.903 1.00 0.00 H new ATOM 335 N ASP A 23 13.527 4.172 7.677 1.00 0.00 N ATOM 336 CA ASP A 23 14.965 4.223 7.293 1.00 0.00 C ATOM 337 C ASP A 23 15.138 3.579 5.919 1.00 0.00 C ATOM 338 O ASP A 23 16.237 3.420 5.427 1.00 0.00 O ATOM 339 CB ASP A 23 15.798 3.460 8.325 1.00 0.00 C ATOM 340 CG ASP A 23 15.744 4.191 9.667 1.00 0.00 C ATOM 341 OD1 ASP A 23 15.296 5.326 9.683 1.00 0.00 O ATOM 342 OD2 ASP A 23 16.151 3.605 10.656 1.00 0.00 O ATOM 0 H ASP A 23 13.234 3.310 8.137 1.00 0.00 H new ATOM 0 HA ASP A 23 15.299 5.260 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.417 2.445 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.830 3.378 7.985 1.00 0.00 H new ATOM 347 N VAL A 24 14.054 3.212 5.296 1.00 0.00 N ATOM 348 CA VAL A 24 14.141 2.584 3.952 1.00 0.00 C ATOM 349 C VAL A 24 13.815 3.640 2.899 1.00 0.00 C ATOM 350 O VAL A 24 12.927 4.449 3.077 1.00 0.00 O ATOM 351 CB VAL A 24 13.136 1.435 3.856 1.00 0.00 C ATOM 352 CG1 VAL A 24 13.279 0.743 2.499 1.00 0.00 C ATOM 353 CG2 VAL A 24 13.407 0.425 4.973 1.00 0.00 C ATOM 0 H VAL A 24 13.108 3.321 5.662 1.00 0.00 H new ATOM 0 HA VAL A 24 15.145 2.192 3.788 1.00 0.00 H new ATOM 0 HB VAL A 24 12.125 1.829 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.563 -0.076 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.086 1.461 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.290 0.350 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.691 -0.394 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.418 0.032 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.305 0.916 5.941 1.00 0.00 H new ATOM 363 N ASP A 25 14.529 3.651 1.810 1.00 0.00 N ATOM 364 CA ASP A 25 14.252 4.672 0.766 1.00 0.00 C ATOM 365 C ASP A 25 12.852 4.443 0.199 1.00 0.00 C ATOM 366 O ASP A 25 12.657 3.659 -0.709 1.00 0.00 O ATOM 367 CB ASP A 25 15.285 4.550 -0.356 1.00 0.00 C ATOM 368 CG ASP A 25 15.109 5.708 -1.338 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.349 6.611 -1.029 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.737 5.673 -2.384 1.00 0.00 O ATOM 0 H ASP A 25 15.287 3.002 1.599 1.00 0.00 H new ATOM 0 HA ASP A 25 14.312 5.669 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.293 4.562 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.165 3.598 -0.874 1.00 0.00 H new ATOM 375 N VAL A 26 11.873 5.124 0.732 1.00 0.00 N ATOM 376 CA VAL A 26 10.481 4.951 0.228 1.00 0.00 C ATOM 377 C VAL A 26 10.416 5.344 -1.250 1.00 0.00 C ATOM 378 O VAL A 26 9.360 5.363 -1.851 1.00 0.00 O ATOM 379 CB VAL A 26 9.536 5.845 1.034 1.00 0.00 C ATOM 380 CG1 VAL A 26 9.781 5.632 2.529 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.797 7.310 0.679 1.00 0.00 C ATOM 0 H VAL A 26 11.978 5.793 1.495 1.00 0.00 H new ATOM 0 HA VAL A 26 10.183 3.908 0.338 1.00 0.00 H new ATOM 0 HB VAL A 26 8.503 5.590 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.108 6.269 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.597 4.588 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.813 5.887 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.125 7.949 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.830 7.564 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.623 7.463 -0.386 1.00 0.00 H new ATOM 391 N ASP A 27 11.538 5.649 -1.844 1.00 0.00 N ATOM 392 CA ASP A 27 11.542 6.031 -3.284 1.00 0.00 C ATOM 393 C ASP A 27 11.750 4.775 -4.132 1.00 0.00 C ATOM 394 O ASP A 27 12.005 4.848 -5.318 1.00 0.00 O ATOM 395 CB ASP A 27 12.678 7.021 -3.549 1.00 0.00 C ATOM 396 CG ASP A 27 12.399 8.329 -2.806 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.279 8.504 -2.354 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.311 9.133 -2.700 1.00 0.00 O ATOM 0 H ASP A 27 12.453 5.650 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 27 10.592 6.498 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.627 6.598 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.768 7.210 -4.619 1.00 0.00 H new ATOM 403 N LEU A 28 11.645 3.622 -3.529 1.00 0.00 N ATOM 404 CA LEU A 28 11.840 2.357 -4.291 1.00 0.00 C ATOM 405 C LEU A 28 10.530 1.956 -4.959 1.00 0.00 C ATOM 406 O LEU A 28 9.483 1.947 -4.343 1.00 0.00 O ATOM 407 CB LEU A 28 12.279 1.249 -3.333 1.00 0.00 C ATOM 408 CG LEU A 28 12.611 -0.018 -4.128 1.00 0.00 C ATOM 409 CD1 LEU A 28 13.893 0.194 -4.939 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.812 -1.186 -3.159 1.00 0.00 C ATOM 0 H LEU A 28 11.432 3.502 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 28 12.605 2.508 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.151 1.571 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.487 1.042 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 28 11.789 -0.239 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.122 -0.711 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.753 1.025 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.718 0.420 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.048 -2.089 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.632 -0.957 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.899 -1.344 -2.586 1.00 0.00 H new ATOM 422 N ASP A 29 10.580 1.621 -6.217 1.00 0.00 N ATOM 423 CA ASP A 29 9.338 1.216 -6.921 1.00 0.00 C ATOM 424 C ASP A 29 8.835 -0.102 -6.334 1.00 0.00 C ATOM 425 O ASP A 29 9.529 -1.098 -6.331 1.00 0.00 O ATOM 426 CB ASP A 29 9.625 1.047 -8.416 1.00 0.00 C ATOM 427 CG ASP A 29 10.805 0.092 -8.612 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.294 -0.429 -7.623 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.201 -0.102 -9.749 1.00 0.00 O ATOM 0 H ASP A 29 11.427 1.611 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 29 8.575 1.984 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.742 0.658 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.850 2.015 -8.864 1.00 0.00 H new ATOM 434 N LEU A 30 7.635 -0.115 -5.827 1.00 0.00 N ATOM 435 CA LEU A 30 7.099 -1.368 -5.235 1.00 0.00 C ATOM 436 C LEU A 30 6.971 -2.427 -6.330 1.00 0.00 C ATOM 437 O LEU A 30 6.630 -3.564 -6.070 1.00 0.00 O ATOM 438 CB LEU A 30 5.721 -1.109 -4.615 1.00 0.00 C ATOM 439 CG LEU A 30 5.817 0.022 -3.590 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.465 0.186 -2.892 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.887 -0.319 -2.550 1.00 0.00 C ATOM 0 H LEU A 30 7.004 0.686 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 30 7.779 -1.717 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.005 -0.846 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.352 -2.016 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 30 6.085 0.950 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.529 0.991 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.701 0.427 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.201 -0.743 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.955 0.487 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.619 -1.246 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.850 -0.442 -3.046 1.00 0.00 H new ATOM 453 N VAL A 31 7.234 -2.064 -7.557 1.00 0.00 N ATOM 454 CA VAL A 31 7.118 -3.055 -8.662 1.00 0.00 C ATOM 455 C VAL A 31 7.888 -4.318 -8.285 1.00 0.00 C ATOM 456 O VAL A 31 7.448 -5.422 -8.536 1.00 0.00 O ATOM 457 CB VAL A 31 7.699 -2.463 -9.946 1.00 0.00 C ATOM 458 CG1 VAL A 31 9.227 -2.464 -9.864 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.254 -3.307 -11.142 1.00 0.00 C ATOM 0 H VAL A 31 7.523 -1.128 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 31 6.069 -3.301 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 31 7.342 -1.440 -10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.641 -2.042 -10.780 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.546 -1.864 -9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.584 -3.487 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.668 -2.886 -12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.611 -4.329 -11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.166 -3.308 -11.202 1.00 0.00 H new ATOM 469 N ASP A 32 9.024 -4.170 -7.664 1.00 0.00 N ATOM 470 CA ASP A 32 9.799 -5.373 -7.252 1.00 0.00 C ATOM 471 C ASP A 32 8.912 -6.213 -6.338 1.00 0.00 C ATOM 472 O ASP A 32 8.901 -7.427 -6.395 1.00 0.00 O ATOM 473 CB ASP A 32 11.060 -4.942 -6.497 1.00 0.00 C ATOM 474 CG ASP A 32 12.007 -4.219 -7.455 1.00 0.00 C ATOM 475 OD1 ASP A 32 11.775 -4.286 -8.651 1.00 0.00 O ATOM 476 OD2 ASP A 32 12.950 -3.609 -6.977 1.00 0.00 O ATOM 0 H ASP A 32 9.448 -3.274 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 32 10.098 -5.951 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.794 -4.286 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.555 -5.813 -6.068 1.00 0.00 H new ATOM 481 N ASN A 33 8.150 -5.559 -5.506 1.00 0.00 N ATOM 482 CA ASN A 33 7.231 -6.280 -4.588 1.00 0.00 C ATOM 483 C ASN A 33 5.894 -6.479 -5.298 1.00 0.00 C ATOM 484 O ASN A 33 4.886 -6.764 -4.683 1.00 0.00 O ATOM 485 CB ASN A 33 7.022 -5.457 -3.320 1.00 0.00 C ATOM 486 CG ASN A 33 8.368 -5.225 -2.636 1.00 0.00 C ATOM 487 OD1 ASN A 33 8.904 -6.113 -2.003 1.00 0.00 O ATOM 488 ND2 ASN A 33 8.945 -4.061 -2.744 1.00 0.00 N ATOM 0 H ASN A 33 8.126 -4.543 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 33 7.657 -7.246 -4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.558 -4.502 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.343 -5.977 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.847 -3.895 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.495 -3.316 -3.275 1.00 0.00 H new ATOM 495 N GLY A 34 5.880 -6.309 -6.593 1.00 0.00 N ATOM 496 CA GLY A 34 4.614 -6.468 -7.360 1.00 0.00 C ATOM 497 C GLY A 34 3.850 -7.686 -6.845 1.00 0.00 C ATOM 498 O GLY A 34 2.669 -7.832 -7.078 1.00 0.00 O ATOM 0 H GLY A 34 6.696 -6.066 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.001 -5.572 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.833 -6.586 -8.421 1.00 0.00 H new ATOM 502 N VAL A 35 4.505 -8.561 -6.137 1.00 0.00 N ATOM 503 CA VAL A 35 3.789 -9.752 -5.608 1.00 0.00 C ATOM 504 C VAL A 35 2.540 -9.277 -4.862 1.00 0.00 C ATOM 505 O VAL A 35 1.509 -9.919 -4.878 1.00 0.00 O ATOM 506 CB VAL A 35 4.701 -10.514 -4.649 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.741 -9.784 -3.311 1.00 0.00 C ATOM 508 CG2 VAL A 35 4.158 -11.929 -4.442 1.00 0.00 C ATOM 0 H VAL A 35 5.496 -8.504 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 35 3.506 -10.413 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 35 5.706 -10.571 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.391 -10.323 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.126 -8.775 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.735 -9.731 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.809 -12.472 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.154 -11.875 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.123 -12.449 -5.399 1.00 0.00 H new ATOM 518 N ILE A 36 2.633 -8.151 -4.210 1.00 0.00 N ATOM 519 CA ILE A 36 1.464 -7.613 -3.457 1.00 0.00 C ATOM 520 C ILE A 36 0.401 -7.106 -4.431 1.00 0.00 C ATOM 521 O ILE A 36 -0.761 -7.006 -4.100 1.00 0.00 O ATOM 522 CB ILE A 36 1.923 -6.438 -2.597 1.00 0.00 C ATOM 523 CG1 ILE A 36 0.972 -6.270 -1.414 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.910 -5.159 -3.437 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.410 -5.071 -0.572 1.00 0.00 C ATOM 0 H ILE A 36 3.474 -7.576 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 36 1.047 -8.406 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 36 2.932 -6.629 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.047 -6.124 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.969 -7.174 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.237 -4.318 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.584 -5.274 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.899 -4.972 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.731 -4.952 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.422 -5.236 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.390 -4.169 -1.184 1.00 0.00 H new ATOM 537 N ASP A 37 0.800 -6.749 -5.616 1.00 0.00 N ATOM 538 CA ASP A 37 -0.171 -6.204 -6.608 1.00 0.00 C ATOM 539 C ASP A 37 -1.297 -7.202 -6.891 1.00 0.00 C ATOM 540 O ASP A 37 -2.406 -6.809 -7.193 1.00 0.00 O ATOM 541 CB ASP A 37 0.555 -5.882 -7.916 1.00 0.00 C ATOM 542 CG ASP A 37 1.568 -4.761 -7.676 1.00 0.00 C ATOM 543 OD1 ASP A 37 1.485 -4.127 -6.638 1.00 0.00 O ATOM 544 OD2 ASP A 37 2.410 -4.557 -8.536 1.00 0.00 O ATOM 0 H ASP A 37 1.763 -6.811 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.609 -5.299 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.063 -6.771 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.163 -5.580 -8.678 1.00 0.00 H new ATOM 549 N SER A 38 -1.027 -8.481 -6.833 1.00 0.00 N ATOM 550 CA SER A 38 -2.099 -9.476 -7.139 1.00 0.00 C ATOM 551 C SER A 38 -2.483 -10.288 -5.898 1.00 0.00 C ATOM 552 O SER A 38 -3.603 -10.227 -5.432 1.00 0.00 O ATOM 553 CB SER A 38 -1.599 -10.430 -8.225 1.00 0.00 C ATOM 554 OG SER A 38 -1.555 -9.739 -9.478 1.00 0.00 O ATOM 0 H SER A 38 -0.119 -8.877 -6.589 1.00 0.00 H new ATOM 0 HA SER A 38 -2.982 -8.933 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.608 -10.804 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.258 -11.295 -8.297 1.00 0.00 H new ATOM 0 HG SER A 38 -1.233 -10.347 -10.176 1.00 0.00 H new ATOM 559 N LEU A 39 -1.579 -11.068 -5.377 1.00 0.00 N ATOM 560 CA LEU A 39 -1.917 -11.902 -4.189 1.00 0.00 C ATOM 561 C LEU A 39 -2.192 -11.015 -2.978 1.00 0.00 C ATOM 562 O LEU A 39 -3.203 -11.145 -2.317 1.00 0.00 O ATOM 563 CB LEU A 39 -0.752 -12.842 -3.875 1.00 0.00 C ATOM 564 CG LEU A 39 -0.653 -13.934 -4.943 1.00 0.00 C ATOM 565 CD1 LEU A 39 0.130 -13.415 -6.153 1.00 0.00 C ATOM 566 CD2 LEU A 39 0.068 -15.148 -4.356 1.00 0.00 C ATOM 0 H LEU A 39 -0.623 -11.165 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.811 -12.484 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.180 -12.278 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.894 -13.294 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.656 -14.216 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.195 -14.199 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.381 -12.549 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.134 -13.128 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.141 -15.929 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.069 -14.857 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.491 -15.524 -3.499 1.00 0.00 H new ATOM 578 N GLY A 40 -1.302 -10.118 -2.680 1.00 0.00 N ATOM 579 CA GLY A 40 -1.513 -9.225 -1.510 1.00 0.00 C ATOM 580 C GLY A 40 -2.640 -8.241 -1.810 1.00 0.00 C ATOM 581 O GLY A 40 -3.446 -7.923 -0.958 1.00 0.00 O ATOM 0 H GLY A 40 -0.436 -9.963 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.759 -9.817 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.595 -8.683 -1.284 1.00 0.00 H new ATOM 585 N LEU A 41 -2.695 -7.749 -3.015 1.00 0.00 N ATOM 586 CA LEU A 41 -3.761 -6.775 -3.372 1.00 0.00 C ATOM 587 C LEU A 41 -5.129 -7.416 -3.162 1.00 0.00 C ATOM 588 O LEU A 41 -6.035 -6.805 -2.639 1.00 0.00 O ATOM 589 CB LEU A 41 -3.617 -6.381 -4.844 1.00 0.00 C ATOM 590 CG LEU A 41 -4.595 -5.252 -5.178 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.968 -3.907 -4.809 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.908 -5.276 -6.675 1.00 0.00 C ATOM 0 H LEU A 41 -2.047 -7.980 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.668 -5.891 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.595 -6.060 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.812 -7.244 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.516 -5.390 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.665 -3.103 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.745 -3.890 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.047 -3.768 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.604 -4.472 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.987 -5.138 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.356 -6.234 -6.938 1.00 0.00 H new ATOM 604 N LEU A 42 -5.289 -8.641 -3.567 1.00 0.00 N ATOM 605 CA LEU A 42 -6.612 -9.301 -3.392 1.00 0.00 C ATOM 606 C LEU A 42 -6.965 -9.319 -1.906 1.00 0.00 C ATOM 607 O LEU A 42 -8.077 -9.019 -1.518 1.00 0.00 O ATOM 608 CB LEU A 42 -6.540 -10.736 -3.923 1.00 0.00 C ATOM 609 CG LEU A 42 -7.932 -11.367 -3.898 1.00 0.00 C ATOM 610 CD1 LEU A 42 -8.699 -10.947 -5.149 1.00 0.00 C ATOM 611 CD2 LEU A 42 -7.799 -12.891 -3.870 1.00 0.00 C ATOM 0 H LEU A 42 -4.568 -9.212 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.376 -8.753 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.148 -10.738 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.853 -11.325 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.469 -11.033 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.692 -11.395 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.791 -9.861 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.162 -11.284 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.791 -13.343 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.264 -13.226 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.247 -13.192 -2.979 1.00 0.00 H new ATOM 623 N LYS A 43 -6.025 -9.655 -1.071 1.00 0.00 N ATOM 624 CA LYS A 43 -6.301 -9.678 0.389 1.00 0.00 C ATOM 625 C LYS A 43 -6.525 -8.249 0.891 1.00 0.00 C ATOM 626 O LYS A 43 -7.316 -8.007 1.780 1.00 0.00 O ATOM 627 CB LYS A 43 -5.108 -10.294 1.113 1.00 0.00 C ATOM 628 CG LYS A 43 -4.957 -11.759 0.697 1.00 0.00 C ATOM 629 CD LYS A 43 -3.833 -12.407 1.507 1.00 0.00 C ATOM 630 CE LYS A 43 -3.603 -13.835 1.008 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.556 -13.829 -0.052 1.00 0.00 N ATOM 0 H LYS A 43 -5.075 -9.915 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.195 -10.271 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.199 -9.742 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.248 -10.224 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.893 -12.293 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.736 -11.825 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.917 -11.824 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.093 -12.418 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.295 -14.475 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.532 -14.248 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.400 -14.800 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.867 -13.231 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.669 -13.452 0.338 1.00 0.00 H new ATOM 645 N VAL A 44 -5.813 -7.303 0.338 1.00 0.00 N ATOM 646 CA VAL A 44 -5.957 -5.888 0.790 1.00 0.00 C ATOM 647 C VAL A 44 -7.347 -5.343 0.453 1.00 0.00 C ATOM 648 O VAL A 44 -7.991 -4.729 1.276 1.00 0.00 O ATOM 649 CB VAL A 44 -4.898 -5.032 0.098 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.104 -3.564 0.472 1.00 0.00 C ATOM 651 CG2 VAL A 44 -3.509 -5.485 0.549 1.00 0.00 C ATOM 0 H VAL A 44 -5.135 -7.450 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.826 -5.853 1.872 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.985 -5.145 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.348 -2.953 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.095 -3.243 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.015 -3.448 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.750 -4.876 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.422 -5.370 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.363 -6.532 0.282 1.00 0.00 H new ATOM 661 N ILE A 45 -7.816 -5.542 -0.746 1.00 0.00 N ATOM 662 CA ILE A 45 -9.157 -5.011 -1.107 1.00 0.00 C ATOM 663 C ILE A 45 -10.226 -5.625 -0.200 1.00 0.00 C ATOM 664 O ILE A 45 -11.115 -4.944 0.269 1.00 0.00 O ATOM 665 CB ILE A 45 -9.469 -5.353 -2.566 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.412 -4.740 -3.497 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.839 -4.797 -2.929 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.265 -3.243 -3.217 1.00 0.00 C ATOM 0 H ILE A 45 -7.331 -6.047 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.157 -3.929 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.460 -6.436 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.455 -5.240 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.698 -4.896 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.066 -5.038 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.595 -5.240 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.838 -3.715 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.513 -2.820 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.220 -2.746 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.957 -3.095 -2.182 1.00 0.00 H new ATOM 680 N ALA A 46 -10.157 -6.902 0.045 1.00 0.00 N ATOM 681 CA ALA A 46 -11.184 -7.545 0.914 1.00 0.00 C ATOM 682 C ALA A 46 -11.068 -7.016 2.346 1.00 0.00 C ATOM 683 O ALA A 46 -12.053 -6.696 2.982 1.00 0.00 O ATOM 684 CB ALA A 46 -10.961 -9.057 0.914 1.00 0.00 C ATOM 0 H ALA A 46 -9.437 -7.528 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.177 -7.313 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.708 -9.535 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.050 -9.438 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.965 -9.278 1.298 1.00 0.00 H new ATOM 690 N TRP A 47 -9.877 -6.925 2.862 1.00 0.00 N ATOM 691 CA TRP A 47 -9.707 -6.415 4.250 1.00 0.00 C ATOM 692 C TRP A 47 -9.794 -4.888 4.262 1.00 0.00 C ATOM 693 O TRP A 47 -10.494 -4.298 5.062 1.00 0.00 O ATOM 694 CB TRP A 47 -8.352 -6.858 4.788 1.00 0.00 C ATOM 695 CG TRP A 47 -7.852 -5.850 5.768 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.574 -5.299 6.770 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.527 -5.268 5.849 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.767 -4.412 7.462 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.493 -4.361 6.930 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.365 -5.445 5.090 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.336 -3.650 7.248 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.196 -4.735 5.403 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.181 -3.838 6.481 1.00 0.00 C ATOM 0 H TRP A 47 -9.013 -7.181 2.384 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.500 -6.818 4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.440 -7.833 5.266 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.642 -6.968 3.969 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.608 -5.515 6.993 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.075 -3.864 8.265 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.368 -6.133 4.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.332 -2.960 8.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.304 -4.880 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.279 -3.293 6.719 1.00 0.00 H new ATOM 714 N LEU A 48 -9.067 -4.246 3.391 1.00 0.00 N ATOM 715 CA LEU A 48 -9.072 -2.756 3.352 1.00 0.00 C ATOM 716 C LEU A 48 -10.485 -2.229 3.083 1.00 0.00 C ATOM 717 O LEU A 48 -10.915 -1.265 3.684 1.00 0.00 O ATOM 718 CB LEU A 48 -8.139 -2.282 2.237 1.00 0.00 C ATOM 719 CG LEU A 48 -7.949 -0.772 2.331 1.00 0.00 C ATOM 720 CD1 LEU A 48 -6.997 -0.446 3.480 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.361 -0.254 1.018 1.00 0.00 C ATOM 0 H LEU A 48 -8.465 -4.692 2.699 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.733 -2.377 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.175 -2.785 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.555 -2.546 1.265 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.912 -0.295 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.862 0.634 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.415 -0.817 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.033 -0.922 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.224 0.825 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.398 -0.732 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.041 -0.486 0.198 1.00 0.00 H new ATOM 733 N GLU A 49 -11.213 -2.842 2.188 1.00 0.00 N ATOM 734 CA GLU A 49 -12.586 -2.349 1.904 1.00 0.00 C ATOM 735 C GLU A 49 -13.447 -2.534 3.151 1.00 0.00 C ATOM 736 O GLU A 49 -14.256 -1.697 3.487 1.00 0.00 O ATOM 737 CB GLU A 49 -13.186 -3.132 0.734 1.00 0.00 C ATOM 738 CG GLU A 49 -13.475 -4.562 1.172 1.00 0.00 C ATOM 739 CD GLU A 49 -14.888 -4.649 1.751 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.469 -3.606 2.005 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.366 -5.757 1.932 1.00 0.00 O ATOM 0 H GLU A 49 -10.918 -3.655 1.647 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.551 -1.293 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.104 -2.652 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.496 -3.132 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.377 -5.239 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.746 -4.878 1.918 1.00 0.00 H new ATOM 748 N ASP A 50 -13.268 -3.618 3.852 1.00 0.00 N ATOM 749 CA ASP A 50 -14.064 -3.842 5.088 1.00 0.00 C ATOM 750 C ASP A 50 -13.653 -2.811 6.142 1.00 0.00 C ATOM 751 O ASP A 50 -14.460 -2.338 6.917 1.00 0.00 O ATOM 752 CB ASP A 50 -13.789 -5.247 5.620 1.00 0.00 C ATOM 753 CG ASP A 50 -14.782 -5.577 6.735 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.672 -4.775 6.966 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.636 -6.626 7.341 1.00 0.00 O ATOM 0 H ASP A 50 -12.605 -4.358 3.622 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.126 -3.739 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.877 -5.976 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.768 -5.310 5.998 1.00 0.00 H new ATOM 760 N ARG A 51 -12.392 -2.479 6.180 1.00 0.00 N ATOM 761 CA ARG A 51 -11.894 -1.498 7.187 1.00 0.00 C ATOM 762 C ARG A 51 -12.593 -0.141 7.030 1.00 0.00 C ATOM 763 O ARG A 51 -12.992 0.464 8.005 1.00 0.00 O ATOM 764 CB ARG A 51 -10.386 -1.318 6.996 1.00 0.00 C ATOM 765 CG ARG A 51 -9.840 -0.366 8.061 1.00 0.00 C ATOM 766 CD ARG A 51 -8.339 -0.165 7.839 1.00 0.00 C ATOM 767 NE ARG A 51 -7.799 0.752 8.882 1.00 0.00 N ATOM 768 CZ ARG A 51 -7.428 0.280 10.040 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.534 -0.997 10.290 1.00 0.00 N ATOM 770 NH2 ARG A 51 -6.951 1.086 10.949 1.00 0.00 N ATOM 0 H ARG A 51 -11.679 -2.848 5.551 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.111 -1.879 8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.883 -2.283 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.181 -0.922 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.358 0.592 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.021 -0.773 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.823 -1.124 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.160 0.250 6.847 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.719 1.751 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.907 -1.627 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.244 -1.365 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.869 2.084 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.661 0.718 11.855 1.00 0.00 H new ATOM 784 N PHE A 52 -12.731 0.353 5.824 1.00 0.00 N ATOM 785 CA PHE A 52 -13.388 1.679 5.632 1.00 0.00 C ATOM 786 C PHE A 52 -14.657 1.544 4.788 1.00 0.00 C ATOM 787 O PHE A 52 -15.365 2.506 4.566 1.00 0.00 O ATOM 788 CB PHE A 52 -12.410 2.620 4.931 1.00 0.00 C ATOM 789 CG PHE A 52 -11.383 3.108 5.924 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.710 4.136 6.816 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.107 2.533 5.956 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.762 4.590 7.740 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.159 2.987 6.881 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.487 4.016 7.773 1.00 0.00 C ATOM 0 H PHE A 52 -12.418 -0.105 4.968 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.666 2.078 6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.918 2.103 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.947 3.466 4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.695 4.579 6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.854 1.740 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.015 5.384 8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.175 2.544 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.755 4.366 8.486 1.00 0.00 H new ATOM 804 N GLY A 53 -14.956 0.370 4.313 1.00 0.00 N ATOM 805 CA GLY A 53 -16.184 0.204 3.484 1.00 0.00 C ATOM 806 C GLY A 53 -15.980 0.900 2.137 1.00 0.00 C ATOM 807 O GLY A 53 -16.861 1.567 1.632 1.00 0.00 O ATOM 0 H GLY A 53 -14.409 -0.478 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.394 -0.855 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.045 0.629 4.000 1.00 0.00 H new ATOM 811 N ILE A 54 -14.819 0.761 1.557 1.00 0.00 N ATOM 812 CA ILE A 54 -14.553 1.425 0.249 1.00 0.00 C ATOM 813 C ILE A 54 -14.739 0.420 -0.890 1.00 0.00 C ATOM 814 O ILE A 54 -14.391 -0.737 -0.773 1.00 0.00 O ATOM 815 CB ILE A 54 -13.117 1.948 0.235 1.00 0.00 C ATOM 816 CG1 ILE A 54 -12.914 2.896 1.419 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.859 2.701 -1.070 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.426 3.211 1.568 1.00 0.00 C ATOM 0 H ILE A 54 -14.043 0.216 1.933 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.250 2.253 0.114 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.423 1.111 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.478 3.816 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.294 2.440 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.835 3.073 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.007 2.028 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.551 3.540 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.280 3.886 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.874 2.287 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.061 3.684 0.656 1.00 0.00 H new ATOM 830 N ALA A 55 -15.289 0.854 -1.991 1.00 0.00 N ATOM 831 CA ALA A 55 -15.502 -0.074 -3.136 1.00 0.00 C ATOM 832 C ALA A 55 -14.152 -0.592 -3.636 1.00 0.00 C ATOM 833 O ALA A 55 -13.152 0.096 -3.583 1.00 0.00 O ATOM 834 CB ALA A 55 -16.213 0.669 -4.269 1.00 0.00 C ATOM 0 H ALA A 55 -15.600 1.813 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.114 -0.915 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.369 -0.010 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.176 1.036 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.601 1.511 -4.593 1.00 0.00 H new ATOM 840 N ALA A 56 -14.117 -1.805 -4.118 1.00 0.00 N ATOM 841 CA ALA A 56 -12.835 -2.375 -4.619 1.00 0.00 C ATOM 842 C ALA A 56 -12.319 -1.540 -5.792 1.00 0.00 C ATOM 843 O ALA A 56 -11.129 -1.438 -6.015 1.00 0.00 O ATOM 844 CB ALA A 56 -13.067 -3.815 -5.083 1.00 0.00 C ATOM 0 H ALA A 56 -14.923 -2.426 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.097 -2.362 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.130 -4.234 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.429 -4.413 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.807 -3.825 -5.883 1.00 0.00 H new ATOM 850 N ASP A 57 -13.203 -0.948 -6.548 1.00 0.00 N ATOM 851 CA ASP A 57 -12.759 -0.125 -7.709 1.00 0.00 C ATOM 852 C ASP A 57 -11.856 -0.968 -8.612 1.00 0.00 C ATOM 853 O ASP A 57 -10.807 -0.531 -9.042 1.00 0.00 O ATOM 854 CB ASP A 57 -11.990 1.098 -7.211 1.00 0.00 C ATOM 855 CG ASP A 57 -12.929 2.002 -6.410 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.129 1.804 -6.500 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.431 2.877 -5.720 1.00 0.00 O ATOM 0 H ASP A 57 -14.213 -0.998 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.631 0.207 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.152 0.785 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.573 1.647 -8.055 1.00 0.00 H new ATOM 862 N ASP A 58 -12.258 -2.176 -8.898 1.00 0.00 N ATOM 863 CA ASP A 58 -11.428 -3.056 -9.769 1.00 0.00 C ATOM 864 C ASP A 58 -11.832 -2.862 -11.232 1.00 0.00 C ATOM 865 O ASP A 58 -11.494 -3.655 -12.089 1.00 0.00 O ATOM 866 CB ASP A 58 -11.641 -4.518 -9.366 1.00 0.00 C ATOM 867 CG ASP A 58 -13.099 -4.916 -9.615 1.00 0.00 C ATOM 868 OD1 ASP A 58 -13.797 -4.163 -10.273 1.00 0.00 O ATOM 869 OD2 ASP A 58 -13.493 -5.968 -9.139 1.00 0.00 O ATOM 0 H ASP A 58 -13.128 -2.593 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.376 -2.796 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.975 -5.164 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.391 -4.655 -8.314 1.00 0.00 H new ATOM 874 N VAL A 59 -12.559 -1.819 -11.525 1.00 0.00 N ATOM 875 CA VAL A 59 -12.988 -1.584 -12.932 1.00 0.00 C ATOM 876 C VAL A 59 -11.766 -1.589 -13.852 1.00 0.00 C ATOM 877 O VAL A 59 -11.794 -2.146 -14.932 1.00 0.00 O ATOM 878 CB VAL A 59 -13.695 -0.234 -13.031 1.00 0.00 C ATOM 879 CG1 VAL A 59 -13.914 0.124 -14.502 1.00 0.00 C ATOM 880 CG2 VAL A 59 -15.049 -0.315 -12.320 1.00 0.00 C ATOM 0 H VAL A 59 -12.874 -1.120 -10.852 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.672 -2.376 -13.237 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.080 0.532 -12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.419 1.088 -14.571 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.951 0.182 -15.010 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.528 -0.642 -14.975 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.555 0.648 -12.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -15.663 -1.082 -12.792 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.895 -0.568 -11.271 1.00 0.00 H new ATOM 890 N GLU A 60 -10.692 -0.979 -13.436 1.00 0.00 N ATOM 891 CA GLU A 60 -9.473 -0.959 -14.294 1.00 0.00 C ATOM 892 C GLU A 60 -8.230 -0.712 -13.439 1.00 0.00 C ATOM 893 O GLU A 60 -7.949 0.403 -13.045 1.00 0.00 O ATOM 894 CB GLU A 60 -9.599 0.151 -15.338 1.00 0.00 C ATOM 895 CG GLU A 60 -8.358 0.155 -16.220 1.00 0.00 C ATOM 896 CD GLU A 60 -8.486 1.245 -17.285 1.00 0.00 C ATOM 897 OE1 GLU A 60 -9.476 1.957 -17.260 1.00 0.00 O ATOM 898 OE2 GLU A 60 -7.592 1.348 -18.109 1.00 0.00 O ATOM 0 H GLU A 60 -10.604 -0.495 -12.543 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.377 -1.923 -14.793 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.491 -0.005 -15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.713 1.117 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.469 0.329 -15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.234 -0.818 -16.695 1.00 0.00 H new ATOM 905 N LEU A 61 -7.480 -1.744 -13.160 1.00 0.00 N ATOM 906 CA LEU A 61 -6.248 -1.579 -12.340 1.00 0.00 C ATOM 907 C LEU A 61 -5.020 -1.878 -13.205 1.00 0.00 C ATOM 908 O LEU A 61 -5.030 -2.783 -14.016 1.00 0.00 O ATOM 909 CB LEU A 61 -6.291 -2.552 -11.160 1.00 0.00 C ATOM 910 CG LEU A 61 -7.619 -2.399 -10.421 1.00 0.00 C ATOM 911 CD1 LEU A 61 -7.587 -3.227 -9.136 1.00 0.00 C ATOM 912 CD2 LEU A 61 -7.848 -0.926 -10.076 1.00 0.00 C ATOM 0 H LEU A 61 -7.670 -2.698 -13.467 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.190 -0.557 -11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.176 -3.576 -11.515 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.461 -2.355 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.430 -2.751 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.535 -3.118 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.428 -4.277 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.775 -2.878 -8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.796 -0.819 -9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.037 -0.571 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.874 -0.337 -10.993 1.00 0.00 H new ATOM 924 N SER A 62 -3.963 -1.128 -13.039 1.00 0.00 N ATOM 925 CA SER A 62 -2.740 -1.376 -13.854 1.00 0.00 C ATOM 926 C SER A 62 -1.500 -1.300 -12.957 1.00 0.00 C ATOM 927 O SER A 62 -1.525 -0.705 -11.898 1.00 0.00 O ATOM 928 CB SER A 62 -2.638 -0.319 -14.954 1.00 0.00 C ATOM 929 OG SER A 62 -2.845 -0.936 -16.218 1.00 0.00 O ATOM 0 H SER A 62 -3.894 -0.356 -12.376 1.00 0.00 H new ATOM 0 HA SER A 62 -2.800 -2.367 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.379 0.463 -14.792 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.659 0.159 -14.926 1.00 0.00 H new ATOM 0 HG SER A 62 -2.782 -0.261 -16.926 1.00 0.00 H new ATOM 935 N PRO A 63 -0.421 -1.902 -13.386 1.00 0.00 N ATOM 936 CA PRO A 63 0.860 -1.911 -12.620 1.00 0.00 C ATOM 937 C PRO A 63 1.431 -0.502 -12.429 1.00 0.00 C ATOM 938 O PRO A 63 2.196 -0.249 -11.520 1.00 0.00 O ATOM 939 CB PRO A 63 1.808 -2.759 -13.477 1.00 0.00 C ATOM 940 CG PRO A 63 1.199 -2.804 -14.839 1.00 0.00 C ATOM 941 CD PRO A 63 -0.306 -2.638 -14.651 1.00 0.00 C ATOM 0 HA PRO A 63 0.719 -2.307 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.805 -2.319 -13.509 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.916 -3.762 -13.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.600 -2.010 -15.469 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.426 -3.749 -15.333 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.754 -2.086 -15.477 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.812 -3.602 -14.600 1.00 0.00 H new ATOM 949 N GLU A 64 1.065 0.415 -13.281 1.00 0.00 N ATOM 950 CA GLU A 64 1.586 1.805 -13.152 1.00 0.00 C ATOM 951 C GLU A 64 1.157 2.389 -11.805 1.00 0.00 C ATOM 952 O GLU A 64 1.840 3.211 -11.227 1.00 0.00 O ATOM 953 CB GLU A 64 1.024 2.667 -14.282 1.00 0.00 C ATOM 954 CG GLU A 64 1.539 2.154 -15.621 1.00 0.00 C ATOM 955 CD GLU A 64 1.033 3.059 -16.746 1.00 0.00 C ATOM 956 OE1 GLU A 64 0.200 3.906 -16.468 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.486 2.889 -17.866 1.00 0.00 O ATOM 0 H GLU A 64 0.427 0.262 -14.062 1.00 0.00 H new ATOM 0 HA GLU A 64 2.674 1.791 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.066 2.640 -14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.320 3.707 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.629 2.134 -15.619 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.201 1.131 -15.784 1.00 0.00 H new ATOM 964 N HIS A 65 0.028 1.972 -11.303 1.00 0.00 N ATOM 965 CA HIS A 65 -0.449 2.504 -9.997 1.00 0.00 C ATOM 966 C HIS A 65 0.474 2.025 -8.873 1.00 0.00 C ATOM 967 O HIS A 65 0.600 2.665 -7.848 1.00 0.00 O ATOM 968 CB HIS A 65 -1.870 1.999 -9.736 1.00 0.00 C ATOM 969 CG HIS A 65 -2.369 2.556 -8.432 1.00 0.00 C ATOM 970 ND1 HIS A 65 -2.591 3.912 -8.243 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.692 1.952 -7.241 1.00 0.00 C ATOM 972 CE1 HIS A 65 -3.028 4.079 -6.981 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.107 2.917 -6.331 1.00 0.00 N ATOM 0 H HIS A 65 -0.585 1.285 -11.742 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.443 3.594 -10.027 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.530 2.302 -10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.880 0.909 -9.706 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.449 4.648 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.633 0.892 -7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.283 5.035 -6.548 1.00 0.00 H new ATOM 982 N PHE A 66 1.114 0.903 -9.054 1.00 0.00 N ATOM 983 CA PHE A 66 2.021 0.383 -7.991 1.00 0.00 C ATOM 984 C PHE A 66 3.476 0.664 -8.372 1.00 0.00 C ATOM 985 O PHE A 66 4.397 0.223 -7.714 1.00 0.00 O ATOM 986 CB PHE A 66 1.814 -1.125 -7.847 1.00 0.00 C ATOM 987 CG PHE A 66 0.362 -1.401 -7.538 1.00 0.00 C ATOM 988 CD1 PHE A 66 -0.098 -1.342 -6.217 1.00 0.00 C ATOM 989 CD2 PHE A 66 -0.525 -1.709 -8.576 1.00 0.00 C ATOM 990 CE1 PHE A 66 -1.446 -1.593 -5.935 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.872 -1.961 -8.294 1.00 0.00 C ATOM 992 CZ PHE A 66 -2.333 -1.902 -6.974 1.00 0.00 C ATOM 0 H PHE A 66 1.049 0.324 -9.891 1.00 0.00 H new ATOM 0 HA PHE A 66 1.795 0.877 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.105 -1.633 -8.766 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.448 -1.517 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.586 -1.103 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.170 -1.752 -9.595 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.802 -1.548 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.556 -2.201 -9.095 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.373 -2.095 -6.756 1.00 0.00 H new ATOM 1002 N ARG A 67 3.693 1.389 -9.436 1.00 0.00 N ATOM 1003 CA ARG A 67 5.090 1.688 -9.862 1.00 0.00 C ATOM 1004 C ARG A 67 5.850 2.358 -8.714 1.00 0.00 C ATOM 1005 O ARG A 67 7.011 2.083 -8.486 1.00 0.00 O ATOM 1006 CB ARG A 67 5.060 2.626 -11.076 1.00 0.00 C ATOM 1007 CG ARG A 67 6.477 2.843 -11.620 1.00 0.00 C ATOM 1008 CD ARG A 67 6.880 1.672 -12.523 1.00 0.00 C ATOM 1009 NE ARG A 67 8.257 1.900 -13.043 1.00 0.00 N ATOM 1010 CZ ARG A 67 8.970 0.891 -13.464 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.475 -0.316 -13.431 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.177 1.090 -13.919 1.00 0.00 N ATOM 0 H ARG A 67 2.964 1.787 -10.028 1.00 0.00 H new ATOM 0 HA ARG A 67 5.594 0.759 -10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.426 2.203 -11.855 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.622 3.583 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.520 3.777 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.182 2.935 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.841 0.737 -11.964 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.177 1.578 -13.351 1.00 0.00 H new ATOM 0 HE ARG A 67 8.643 2.844 -13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.531 -0.471 -13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.032 -1.105 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.563 2.034 -13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.734 0.302 -14.248 1.00 0.00 H new ATOM 1026 N SER A 68 5.213 3.238 -7.988 1.00 0.00 N ATOM 1027 CA SER A 68 5.920 3.916 -6.864 1.00 0.00 C ATOM 1028 C SER A 68 4.953 4.147 -5.700 1.00 0.00 C ATOM 1029 O SER A 68 3.755 4.244 -5.882 1.00 0.00 O ATOM 1030 CB SER A 68 6.467 5.260 -7.345 1.00 0.00 C ATOM 1031 OG SER A 68 5.383 6.139 -7.612 1.00 0.00 O ATOM 0 H SER A 68 4.241 3.515 -8.124 1.00 0.00 H new ATOM 0 HA SER A 68 6.741 3.284 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.122 5.691 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.067 5.121 -8.244 1.00 0.00 H new ATOM 0 HG SER A 68 5.730 7.003 -7.919 1.00 0.00 H new ATOM 1037 N ILE A 69 5.469 4.240 -4.504 1.00 0.00 N ATOM 1038 CA ILE A 69 4.599 4.468 -3.323 1.00 0.00 C ATOM 1039 C ILE A 69 3.935 5.844 -3.425 1.00 0.00 C ATOM 1040 O ILE A 69 2.799 6.028 -3.035 1.00 0.00 O ATOM 1041 CB ILE A 69 5.460 4.414 -2.063 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.150 3.059 -1.969 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.580 4.602 -0.841 1.00 0.00 C ATOM 1044 CD1 ILE A 69 7.163 3.077 -0.823 1.00 0.00 C ATOM 0 H ILE A 69 6.465 4.167 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 69 3.825 3.701 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 69 6.208 5.205 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.412 2.274 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.653 2.830 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.194 4.564 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.080 5.569 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.833 3.809 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.655 2.107 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.908 3.850 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.648 3.287 0.115 1.00 0.00 H new ATOM 1056 N ARG A 70 4.643 6.816 -3.932 1.00 0.00 N ATOM 1057 CA ARG A 70 4.065 8.186 -4.044 1.00 0.00 C ATOM 1058 C ARG A 70 2.831 8.170 -4.949 1.00 0.00 C ATOM 1059 O ARG A 70 1.862 8.860 -4.699 1.00 0.00 O ATOM 1060 CB ARG A 70 5.114 9.131 -4.633 1.00 0.00 C ATOM 1061 CG ARG A 70 6.293 9.250 -3.667 1.00 0.00 C ATOM 1062 CD ARG A 70 7.287 10.284 -4.199 1.00 0.00 C ATOM 1063 NE ARG A 70 7.725 9.893 -5.569 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.791 10.434 -6.092 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.473 11.318 -5.416 1.00 0.00 N ATOM 1066 NH2 ARG A 70 9.174 10.091 -7.292 1.00 0.00 N ATOM 0 H ARG A 70 5.599 6.720 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 70 3.771 8.529 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.457 8.755 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.675 10.113 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.939 9.545 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.783 8.283 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.825 11.271 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.149 10.351 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 70 7.192 9.203 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.173 11.586 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.306 11.741 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.640 9.401 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.007 10.513 -7.702 1.00 0.00 H new ATOM 1080 N SER A 71 2.852 7.399 -6.002 1.00 0.00 N ATOM 1081 CA SER A 71 1.672 7.363 -6.911 1.00 0.00 C ATOM 1082 C SER A 71 0.438 6.907 -6.129 1.00 0.00 C ATOM 1083 O SER A 71 -0.622 7.495 -6.224 1.00 0.00 O ATOM 1084 CB SER A 71 1.939 6.385 -8.055 1.00 0.00 C ATOM 1085 OG SER A 71 0.900 6.495 -9.019 1.00 0.00 O ATOM 0 H SER A 71 3.630 6.796 -6.271 1.00 0.00 H new ATOM 0 HA SER A 71 1.497 8.359 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.903 6.601 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.990 5.365 -7.673 1.00 0.00 H new ATOM 0 HG SER A 71 1.069 5.870 -9.755 1.00 0.00 H new ATOM 1091 N ILE A 72 0.568 5.868 -5.353 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.586 5.375 -4.561 1.00 0.00 C ATOM 1093 C ILE A 72 -0.937 6.392 -3.472 1.00 0.00 C ATOM 1094 O ILE A 72 -2.091 6.621 -3.168 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.209 4.045 -3.913 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.163 3.034 -5.000 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.396 3.518 -3.115 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.661 1.743 -4.348 1.00 0.00 C ATOM 0 H ILE A 72 1.431 5.337 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.448 5.239 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 72 0.642 4.192 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.702 2.826 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.936 3.448 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.130 2.568 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.662 4.238 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.246 3.371 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.926 1.023 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.538 1.958 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.126 1.326 -3.719 1.00 0.00 H new ATOM 1110 N ASP A 73 0.055 6.993 -2.874 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.209 7.984 -1.792 1.00 0.00 C ATOM 1112 C ASP A 73 -1.105 9.112 -2.308 1.00 0.00 C ATOM 1113 O ASP A 73 -1.999 9.566 -1.622 1.00 0.00 O ATOM 1114 CB ASP A 73 1.119 8.574 -1.313 1.00 0.00 C ATOM 1115 CG ASP A 73 0.877 9.446 -0.081 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.241 9.451 0.406 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.814 10.094 0.356 1.00 0.00 O ATOM 0 H ASP A 73 1.040 6.840 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.714 7.481 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.819 7.774 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.573 9.167 -2.107 1.00 0.00 H new ATOM 1122 N ALA A 74 -0.872 9.576 -3.504 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.713 10.682 -4.041 1.00 0.00 C ATOM 1124 C ALA A 74 -3.147 10.194 -4.237 1.00 0.00 C ATOM 1125 O ALA A 74 -4.096 10.885 -3.920 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.145 11.152 -5.382 1.00 0.00 C ATOM 0 H ALA A 74 -0.140 9.240 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.710 11.511 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.761 11.961 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.125 11.508 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.144 10.322 -6.088 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.317 9.012 -4.754 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.695 8.489 -4.964 1.00 0.00 C ATOM 1134 C PHE A 75 -5.399 8.358 -3.614 1.00 0.00 C ATOM 1135 O PHE A 75 -6.518 8.800 -3.439 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.624 7.121 -5.636 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.018 6.652 -5.978 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.617 7.055 -7.178 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.711 5.815 -5.096 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.909 6.620 -7.496 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.004 5.381 -5.414 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.603 5.783 -6.614 1.00 0.00 C ATOM 0 H PHE A 75 -2.564 8.386 -5.040 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.252 9.177 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.017 7.179 -6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.140 6.404 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.082 7.701 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.249 5.504 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.371 6.930 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.539 4.736 -4.733 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.600 5.448 -6.859 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.752 7.754 -2.655 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.379 7.593 -1.321 1.00 0.00 C ATOM 1154 C VAL A 76 -5.547 8.963 -0.659 1.00 0.00 C ATOM 1155 O VAL A 76 -6.595 9.283 -0.140 1.00 0.00 O ATOM 1156 CB VAL A 76 -4.483 6.709 -0.457 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -5.000 6.712 0.977 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.502 5.278 -1.000 1.00 0.00 C ATOM 0 H VAL A 76 -3.813 7.365 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.360 7.130 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.463 7.094 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.361 6.081 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.990 7.730 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.019 6.327 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.862 4.646 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.522 4.894 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.135 5.273 -2.026 1.00 0.00 H new ATOM 1168 N VAL A 77 -4.528 9.780 -0.679 1.00 0.00 N ATOM 1169 CA VAL A 77 -4.642 11.121 -0.051 1.00 0.00 C ATOM 1170 C VAL A 77 -5.737 11.922 -0.753 1.00 0.00 C ATOM 1171 O VAL A 77 -6.490 12.645 -0.131 1.00 0.00 O ATOM 1172 CB VAL A 77 -3.308 11.851 -0.185 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -3.500 13.321 0.168 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -2.290 11.229 0.773 1.00 0.00 C ATOM 0 H VAL A 77 -3.624 9.574 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.896 11.013 1.003 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.946 11.764 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.549 13.845 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.229 13.766 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.860 13.405 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.337 11.749 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.652 11.318 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.155 10.176 0.527 1.00 0.00 H new ATOM 1184 N GLY A 78 -5.828 11.801 -2.047 1.00 0.00 N ATOM 1185 CA GLY A 78 -6.869 12.557 -2.794 1.00 0.00 C ATOM 1186 C GLY A 78 -8.258 12.204 -2.258 1.00 0.00 C ATOM 1187 O GLY A 78 -9.153 13.025 -2.256 1.00 0.00 O ATOM 0 H GLY A 78 -5.225 11.210 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.693 13.628 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.809 12.321 -3.856 1.00 0.00 H new ATOM 1191 N ALA A 79 -8.453 10.989 -1.811 1.00 0.00 N ATOM 1192 CA ALA A 79 -9.797 10.601 -1.290 1.00 0.00 C ATOM 1193 C ALA A 79 -9.778 10.541 0.239 1.00 0.00 C ATOM 1194 O ALA A 79 -10.611 11.126 0.902 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.177 9.227 -1.846 1.00 0.00 C ATOM 0 H ALA A 79 -7.745 10.255 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.528 11.346 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.158 8.940 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.206 9.270 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.437 8.490 -1.532 1.00 0.00 H new ATOM 1201 N THR A 80 -8.837 9.840 0.805 1.00 0.00 N ATOM 1202 CA THR A 80 -8.772 9.747 2.291 1.00 0.00 C ATOM 1203 C THR A 80 -7.364 9.331 2.722 1.00 0.00 C ATOM 1204 O THR A 80 -6.680 8.610 2.026 1.00 0.00 O ATOM 1205 CB THR A 80 -9.790 8.714 2.782 1.00 0.00 C ATOM 1206 OG1 THR A 80 -9.941 8.831 4.190 1.00 0.00 O ATOM 1207 CG2 THR A 80 -9.308 7.305 2.432 1.00 0.00 C ATOM 0 H THR A 80 -8.111 9.328 0.305 1.00 0.00 H new ATOM 0 HA THR A 80 -9.005 10.719 2.725 1.00 0.00 H new ATOM 0 HB THR A 80 -10.749 8.894 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.594 8.171 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.036 6.574 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.197 7.216 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.347 7.120 2.912 1.00 0.00 H new ATOM 1215 N THR A 81 -6.930 9.773 3.869 1.00 0.00 N ATOM 1216 CA THR A 81 -5.571 9.402 4.352 1.00 0.00 C ATOM 1217 C THR A 81 -5.675 8.869 5.786 1.00 0.00 C ATOM 1218 O THR A 81 -5.579 9.615 6.739 1.00 0.00 O ATOM 1219 CB THR A 81 -4.677 10.643 4.321 1.00 0.00 C ATOM 1220 OG1 THR A 81 -3.468 10.375 5.018 1.00 0.00 O ATOM 1221 CG2 THR A 81 -5.404 11.814 4.984 1.00 0.00 C ATOM 0 H THR A 81 -7.461 10.378 4.496 1.00 0.00 H new ATOM 0 HA THR A 81 -5.142 8.630 3.713 1.00 0.00 H new ATOM 0 HB THR A 81 -4.448 10.900 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.599 10.538 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.766 12.698 4.962 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.329 12.020 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.636 11.560 6.018 1.00 0.00 H new