USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 11:sc= 0.818 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.66! F(o=-2.8,f=-1.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -124:sc= -0.385 (180deg=-2.51!) USER MOD Single : A 27 MET CE :methyl -137:sc= -3.79 (180deg=-8.97!) USER MOD Single : A 28 GLN : amide:sc= -4.23! C(o=-4.2!,f=-7.9!) USER MOD Single : A 38 ASN : amide:sc= -14.4! C(o=-14!,f=-23!) USER MOD Single : A 47 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc=0.000677 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= -0.438 (180deg=-1.61!) USER MOD Single : A 62 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.57 USER MOD Single : A 71 GLN : amide:sc= -0.0336 X(o=-0.034,f=0.31) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.0041) USER MOD Single : A 85 SER OG : rot 7:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.774 -13.501 18.850 1.00 0.00 N ATOM 21 CA THR A 2 51.188 -13.138 18.874 1.00 0.00 C ATOM 22 C THR A 2 51.934 -13.825 17.740 1.00 0.00 C ATOM 23 O THR A 2 51.602 -14.948 17.363 1.00 0.00 O ATOM 24 CB THR A 2 51.825 -13.570 20.201 1.00 0.00 C ATOM 25 OG1 THR A 2 50.811 -14.023 21.088 1.00 0.00 O ATOM 26 CG2 THR A 2 52.566 -12.389 20.830 1.00 0.00 C ATOM 0 HA THR A 2 51.257 -12.056 18.760 1.00 0.00 H new ATOM 0 HB THR A 2 52.533 -14.378 20.014 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.967 -14.117 20.599 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.016 -12.702 21.772 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.347 -12.046 20.151 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.864 -11.576 21.016 1.00 0.00 H new ATOM 34 N VAL A 3 52.977 -13.176 17.231 1.00 0.00 N ATOM 35 CA VAL A 3 53.778 -13.761 16.200 1.00 0.00 C ATOM 36 C VAL A 3 55.199 -13.367 16.415 1.00 0.00 C ATOM 37 O VAL A 3 55.509 -12.208 16.679 1.00 0.00 O ATOM 38 CB VAL A 3 53.358 -13.313 14.828 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.288 -14.253 14.315 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.824 -11.886 14.890 1.00 0.00 C ATOM 0 H VAL A 3 53.274 -12.246 17.526 1.00 0.00 H new ATOM 0 HA VAL A 3 53.651 -14.842 16.253 1.00 0.00 H new ATOM 0 HB VAL A 3 54.213 -13.331 14.152 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.974 -13.939 13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.687 -15.266 14.267 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.431 -14.232 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.521 -11.567 13.893 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.965 -11.848 15.560 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.604 -11.222 15.262 1.00 0.00 H new ATOM 50 N LYS A 4 56.049 -14.335 16.292 1.00 0.00 N ATOM 51 CA LYS A 4 57.443 -14.116 16.461 1.00 0.00 C ATOM 52 C LYS A 4 58.212 -15.128 15.664 1.00 0.00 C ATOM 53 O LYS A 4 57.861 -16.308 15.628 1.00 0.00 O ATOM 54 CB LYS A 4 57.809 -14.219 17.922 1.00 0.00 C ATOM 55 CG LYS A 4 57.154 -15.467 18.525 1.00 0.00 C ATOM 56 CD LYS A 4 55.729 -15.138 19.031 1.00 0.00 C ATOM 57 CE LYS A 4 54.678 -15.964 18.271 1.00 0.00 C ATOM 58 NZ LYS A 4 54.547 -17.306 18.905 1.00 0.00 N ATOM 0 H LYS A 4 55.794 -15.298 16.072 1.00 0.00 H new ATOM 0 HA LYS A 4 57.695 -13.116 16.107 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.892 -14.273 18.034 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.478 -13.328 18.455 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.107 -16.258 17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.761 -15.842 19.349 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.660 -15.346 20.099 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.528 -14.075 18.900 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.717 -15.449 18.283 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.970 -16.071 17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.836 -17.865 18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.463 -17.797 18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.250 -17.195 19.895 1.00 0.00 H new ATOM 72 N GLN A 5 59.237 -14.662 14.997 1.00 0.00 N ATOM 73 CA GLN A 5 60.017 -15.550 14.162 1.00 0.00 C ATOM 74 C GLN A 5 61.482 -15.163 14.119 1.00 0.00 C ATOM 75 O GLN A 5 61.850 -14.002 14.276 1.00 0.00 O ATOM 76 CB GLN A 5 59.453 -15.505 12.757 1.00 0.00 C ATOM 77 CG GLN A 5 57.924 -15.449 12.822 1.00 0.00 C ATOM 78 CD GLN A 5 57.339 -15.535 11.415 1.00 0.00 C ATOM 79 OE1 GLN A 5 58.088 -15.954 10.430 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.170 -15.212 11.207 1.00 0.00 N flip ATOM 0 H GLN A 5 59.550 -13.691 15.012 1.00 0.00 H new ATOM 0 HA GLN A 5 59.956 -16.553 14.585 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.837 -14.633 12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.772 -16.384 12.197 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.547 -16.270 13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.606 -14.523 13.301 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.586 -14.885 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.785 -15.271 10.265 1.00 0.00 H new ATOM 89 N THR A 6 62.308 -16.155 13.883 1.00 0.00 N ATOM 90 CA THR A 6 63.727 -15.952 13.787 1.00 0.00 C ATOM 91 C THR A 6 64.136 -15.888 12.323 1.00 0.00 C ATOM 92 O THR A 6 64.168 -16.910 11.637 1.00 0.00 O ATOM 93 CB THR A 6 64.447 -17.105 14.479 1.00 0.00 C ATOM 94 OG1 THR A 6 63.643 -17.594 15.543 1.00 0.00 O ATOM 95 CG2 THR A 6 65.769 -16.602 15.030 1.00 0.00 C ATOM 0 H THR A 6 62.012 -17.122 13.753 1.00 0.00 H new ATOM 0 HA THR A 6 63.998 -15.014 14.272 1.00 0.00 H new ATOM 0 HB THR A 6 64.628 -17.909 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.104 -18.336 15.987 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.291 -17.420 15.527 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.383 -16.223 14.213 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.584 -15.802 15.746 1.00 0.00 H new ATOM 103 N VAL A 7 64.445 -14.687 11.842 1.00 0.00 N ATOM 104 CA VAL A 7 64.844 -14.535 10.444 1.00 0.00 C ATOM 105 C VAL A 7 66.366 -14.484 10.326 1.00 0.00 C ATOM 106 O VAL A 7 67.012 -13.575 10.846 1.00 0.00 O ATOM 107 CB VAL A 7 64.232 -13.252 9.845 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.931 -13.449 8.348 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.933 -12.907 10.582 1.00 0.00 C ATOM 0 H VAL A 7 64.428 -13.823 12.384 1.00 0.00 H new ATOM 0 HA VAL A 7 64.474 -15.397 9.888 1.00 0.00 H new ATOM 0 HB VAL A 7 64.948 -12.438 9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.500 -12.535 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.855 -13.682 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.225 -14.270 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.503 -12.000 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 7 62.225 -13.729 10.475 1.00 0.00 H new ATOM 0 HG23 VAL A 7 63.146 -12.746 11.639 1.00 0.00 H new ATOM 119 N GLU A 8 66.931 -15.463 9.625 1.00 0.00 N ATOM 120 CA GLU A 8 68.375 -15.514 9.431 1.00 0.00 C ATOM 121 C GLU A 8 68.778 -14.511 8.361 1.00 0.00 C ATOM 122 O GLU A 8 68.526 -14.726 7.175 1.00 0.00 O ATOM 123 CB GLU A 8 68.800 -16.921 9.008 1.00 0.00 C ATOM 124 CG GLU A 8 68.630 -17.883 10.186 1.00 0.00 C ATOM 125 CD GLU A 8 69.213 -19.247 9.833 1.00 0.00 C ATOM 126 OE1 GLU A 8 70.282 -19.559 10.330 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.581 -19.960 9.071 1.00 0.00 O ATOM 0 H GLU A 8 66.415 -16.225 9.185 1.00 0.00 H new ATOM 0 HA GLU A 8 68.871 -15.264 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.199 -17.255 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.839 -16.914 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 8 69.129 -17.482 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.574 -17.983 10.435 1.00 0.00 H new ATOM 134 N ILE A 9 69.382 -13.404 8.779 1.00 0.00 N ATOM 135 CA ILE A 9 69.777 -12.378 7.825 1.00 0.00 C ATOM 136 C ILE A 9 71.024 -12.761 7.063 1.00 0.00 C ATOM 137 O ILE A 9 71.976 -13.306 7.623 1.00 0.00 O ATOM 138 CB ILE A 9 70.083 -11.036 8.514 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.250 -10.875 9.797 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.791 -9.900 7.537 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.678 -9.452 9.922 1.00 0.00 C ATOM 0 H ILE A 9 69.605 -13.197 9.753 1.00 0.00 H new ATOM 0 HA ILE A 9 68.927 -12.280 7.149 1.00 0.00 H new ATOM 0 HB ILE A 9 71.134 -11.010 8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.434 -11.598 9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.870 -11.097 10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.005 -8.944 8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.418 -10.011 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.742 -9.933 7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.095 -9.374 10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.496 -8.732 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 9 68.037 -9.241 9.066 1.00 0.00 H new ATOM 311 N ALA A 20 62.327 -1.303 7.678 1.00 0.00 N ATOM 312 CA ALA A 20 62.390 -1.355 9.133 1.00 0.00 C ATOM 313 C ALA A 20 61.596 -0.193 9.704 1.00 0.00 C ATOM 314 O ALA A 20 60.992 -0.294 10.771 1.00 0.00 O ATOM 315 CB ALA A 20 63.854 -1.265 9.581 1.00 0.00 C ATOM 0 HA ALA A 20 61.966 -2.292 9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.905 -1.304 10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.415 -2.100 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.285 -0.327 9.231 1.00 0.00 H new ATOM 321 N MET A 21 61.594 0.904 8.965 1.00 0.00 N ATOM 322 CA MET A 21 60.859 2.088 9.373 1.00 0.00 C ATOM 323 C MET A 21 59.379 1.906 9.058 1.00 0.00 C ATOM 324 O MET A 21 58.520 2.411 9.778 1.00 0.00 O ATOM 325 CB MET A 21 61.399 3.321 8.645 1.00 0.00 C ATOM 326 CG MET A 21 62.789 3.666 9.184 1.00 0.00 C ATOM 327 SD MET A 21 63.242 5.339 8.660 1.00 0.00 S ATOM 328 CE MET A 21 64.656 5.554 9.769 1.00 0.00 C ATOM 0 H MET A 21 62.093 0.999 8.080 1.00 0.00 H new ATOM 0 HA MET A 21 60.984 2.232 10.446 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.450 3.130 7.573 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.723 4.164 8.786 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.795 3.600 10.272 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.522 2.947 8.817 1.00 0.00 H new ATOM 0 HE1 MET A 21 65.096 6.539 9.611 1.00 0.00 H new ATOM 0 HE2 MET A 21 64.324 5.467 10.803 1.00 0.00 H new ATOM 0 HE3 MET A 21 65.401 4.786 9.561 1.00 0.00 H new ATOM 338 N LYS A 22 59.081 1.175 7.983 1.00 0.00 N ATOM 339 CA LYS A 22 57.690 0.944 7.616 1.00 0.00 C ATOM 340 C LYS A 22 56.937 0.367 8.809 1.00 0.00 C ATOM 341 O LYS A 22 55.878 0.861 9.167 1.00 0.00 O ATOM 342 CB LYS A 22 57.590 0.024 6.386 1.00 0.00 C ATOM 343 CG LYS A 22 57.309 -1.429 6.795 1.00 0.00 C ATOM 344 CD LYS A 22 57.518 -2.346 5.582 1.00 0.00 C ATOM 345 CE LYS A 22 56.584 -3.556 5.674 1.00 0.00 C ATOM 346 NZ LYS A 22 56.740 -4.395 4.452 1.00 0.00 N ATOM 0 H LYS A 22 59.769 0.743 7.366 1.00 0.00 H new ATOM 0 HA LYS A 22 57.230 1.894 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.796 0.378 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.519 0.071 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 22 57.972 -1.725 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.288 -1.524 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.324 -1.795 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.555 -2.679 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.816 -4.142 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.550 -3.225 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.814 -4.516 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.395 -3.929 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.119 -5.327 4.717 1.00 0.00 H new ATOM 360 N LEU A 23 57.523 -0.638 9.456 1.00 0.00 N ATOM 361 CA LEU A 23 56.935 -1.238 10.638 1.00 0.00 C ATOM 362 C LEU A 23 56.226 -0.153 11.418 1.00 0.00 C ATOM 363 O LEU A 23 55.116 -0.326 11.915 1.00 0.00 O ATOM 364 CB LEU A 23 58.084 -1.781 11.487 1.00 0.00 C ATOM 365 CG LEU A 23 58.325 -3.270 11.223 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.196 -3.472 9.969 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.046 -3.846 12.434 1.00 0.00 C ATOM 0 H LEU A 23 58.411 -1.052 9.174 1.00 0.00 H new ATOM 0 HA LEU A 23 56.232 -2.029 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.994 -1.221 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.860 -1.630 12.543 1.00 0.00 H new ATOM 0 HG LEU A 23 57.371 -3.771 11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.353 -4.538 9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.694 -3.040 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.159 -2.982 10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.232 -4.908 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.995 -3.328 12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.428 -3.715 13.322 1.00 0.00 H new ATOM 379 N PHE A 24 56.911 0.968 11.509 1.00 0.00 N ATOM 380 CA PHE A 24 56.413 2.122 12.222 1.00 0.00 C ATOM 381 C PHE A 24 55.299 2.819 11.431 1.00 0.00 C ATOM 382 O PHE A 24 54.154 2.917 11.886 1.00 0.00 O ATOM 383 CB PHE A 24 57.575 3.085 12.442 1.00 0.00 C ATOM 384 CG PHE A 24 58.851 2.340 12.820 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.065 3.036 12.813 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.842 0.976 13.185 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.250 2.395 13.163 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.036 0.339 13.527 1.00 0.00 C ATOM 389 CZ PHE A 24 61.237 1.047 13.517 1.00 0.00 C ATOM 0 H PHE A 24 57.831 1.103 11.089 1.00 0.00 H new ATOM 0 HA PHE A 24 55.993 1.805 13.177 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.746 3.665 11.535 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.318 3.793 13.230 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.083 4.079 12.534 1.00 0.00 H new ATOM 0 HD2 PHE A 24 57.912 0.426 13.200 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.181 2.943 13.160 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.029 -0.706 13.800 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.158 0.550 13.784 1.00 0.00 H new ATOM 399 N GLU A 25 55.632 3.288 10.235 1.00 0.00 N ATOM 400 CA GLU A 25 54.642 3.956 9.396 1.00 0.00 C ATOM 401 C GLU A 25 53.544 2.972 9.034 1.00 0.00 C ATOM 402 O GLU A 25 52.404 3.354 8.776 1.00 0.00 O ATOM 403 CB GLU A 25 55.295 4.507 8.127 1.00 0.00 C ATOM 404 CG GLU A 25 56.105 5.759 8.473 1.00 0.00 C ATOM 405 CD GLU A 25 55.166 6.931 8.737 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.251 7.502 9.812 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.375 7.240 7.860 1.00 0.00 O ATOM 0 H GLU A 25 56.565 3.221 9.828 1.00 0.00 H new ATOM 0 HA GLU A 25 54.214 4.792 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.944 3.753 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.532 4.748 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.722 5.572 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.782 6.002 7.654 1.00 0.00 H new ATOM 414 N LEU A 26 53.899 1.696 9.052 1.00 0.00 N ATOM 415 CA LEU A 26 52.950 0.641 8.767 1.00 0.00 C ATOM 416 C LEU A 26 52.199 0.325 10.047 1.00 0.00 C ATOM 417 O LEU A 26 51.019 -0.005 10.019 1.00 0.00 O ATOM 418 CB LEU A 26 53.681 -0.582 8.194 1.00 0.00 C ATOM 419 CG LEU A 26 52.905 -1.859 8.480 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.057 -2.198 9.970 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.418 -1.679 8.089 1.00 0.00 C ATOM 0 H LEU A 26 54.842 1.370 9.262 1.00 0.00 H new ATOM 0 HA LEU A 26 52.229 0.953 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.810 -0.463 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.678 -0.652 8.629 1.00 0.00 H new ATOM 0 HG LEU A 26 53.299 -2.683 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.506 -3.112 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.112 -2.343 10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.661 -1.380 10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.873 -2.599 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.986 -0.862 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.347 -1.449 7.026 1.00 0.00 H new ATOM 433 N MET A 27 52.879 0.474 11.179 1.00 0.00 N ATOM 434 CA MET A 27 52.232 0.249 12.457 1.00 0.00 C ATOM 435 C MET A 27 50.941 1.042 12.446 1.00 0.00 C ATOM 436 O MET A 27 49.928 0.627 13.007 1.00 0.00 O ATOM 437 CB MET A 27 53.134 0.714 13.603 1.00 0.00 C ATOM 438 CG MET A 27 53.681 -0.502 14.340 1.00 0.00 C ATOM 439 SD MET A 27 52.316 -1.330 15.194 1.00 0.00 S ATOM 440 CE MET A 27 52.258 -2.855 14.210 1.00 0.00 C ATOM 0 H MET A 27 53.861 0.745 11.234 1.00 0.00 H new ATOM 0 HA MET A 27 52.034 -0.812 12.608 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.954 1.317 13.213 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.572 1.347 14.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.157 -1.186 13.638 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.445 -0.197 15.056 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.220 -3.110 13.996 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.795 -2.705 13.274 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.723 -3.667 14.769 1.00 0.00 H new ATOM 450 N GLN A 28 50.980 2.178 11.752 1.00 0.00 N ATOM 451 CA GLN A 28 49.789 3.001 11.621 1.00 0.00 C ATOM 452 C GLN A 28 48.807 2.262 10.721 1.00 0.00 C ATOM 453 O GLN A 28 47.631 2.615 10.627 1.00 0.00 O ATOM 454 CB GLN A 28 50.140 4.365 11.016 1.00 0.00 C ATOM 455 CG GLN A 28 50.645 5.302 12.117 1.00 0.00 C ATOM 456 CD GLN A 28 51.770 4.633 12.899 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.528 3.687 13.649 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.993 5.069 12.768 1.00 0.00 N ATOM 0 H GLN A 28 51.809 2.541 11.281 1.00 0.00 H new ATOM 0 HA GLN A 28 49.347 3.178 12.602 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.903 4.247 10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.263 4.796 10.532 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.001 6.234 11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.827 5.559 12.790 1.00 0.00 H new ATOM 0 HE21 GLN A 28 53.191 5.853 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 53.751 4.626 13.287 1.00 0.00 H new ATOM 467 N GLY A 29 49.318 1.212 10.077 1.00 0.00 N ATOM 468 CA GLY A 29 48.510 0.377 9.188 1.00 0.00 C ATOM 469 C GLY A 29 48.029 -0.864 9.933 1.00 0.00 C ATOM 470 O GLY A 29 46.842 -1.187 9.925 1.00 0.00 O ATOM 0 H GLY A 29 50.292 0.919 10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.655 0.944 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.097 0.084 8.318 1.00 0.00 H new ATOM 474 N PHE A 30 48.961 -1.532 10.608 1.00 0.00 N ATOM 475 CA PHE A 30 48.630 -2.716 11.398 1.00 0.00 C ATOM 476 C PHE A 30 48.681 -2.349 12.873 1.00 0.00 C ATOM 477 O PHE A 30 49.529 -1.563 13.291 1.00 0.00 O ATOM 478 CB PHE A 30 49.628 -3.856 11.174 1.00 0.00 C ATOM 479 CG PHE A 30 49.754 -4.237 9.713 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.633 -4.439 8.900 1.00 0.00 C ATOM 481 CD2 PHE A 30 51.026 -4.429 9.191 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.809 -4.828 7.562 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.210 -4.811 7.867 1.00 0.00 C ATOM 484 CZ PHE A 30 50.104 -5.015 7.046 1.00 0.00 C ATOM 0 H PHE A 30 49.948 -1.275 10.624 1.00 0.00 H new ATOM 0 HA PHE A 30 47.639 -3.050 11.090 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.605 -3.559 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.314 -4.728 11.748 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.639 -4.297 9.299 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.888 -4.279 9.825 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.948 -4.984 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.207 -4.949 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.240 -5.315 6.018 1.00 0.00 H new ATOM 494 N ASP A 31 47.808 -2.946 13.669 1.00 0.00 N ATOM 495 CA ASP A 31 47.808 -2.692 15.094 1.00 0.00 C ATOM 496 C ASP A 31 48.505 -3.854 15.749 1.00 0.00 C ATOM 497 O ASP A 31 47.949 -4.946 15.853 1.00 0.00 O ATOM 498 CB ASP A 31 46.382 -2.555 15.619 1.00 0.00 C ATOM 499 CG ASP A 31 46.393 -1.929 17.010 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.175 -0.732 17.100 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.620 -2.655 17.964 1.00 0.00 O ATOM 0 H ASP A 31 47.097 -3.605 13.352 1.00 0.00 H new ATOM 0 HA ASP A 31 48.322 -1.757 15.318 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.794 -1.939 14.939 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.904 -3.534 15.656 1.00 0.00 H new ATOM 506 N ALA A 32 49.746 -3.639 16.135 1.00 0.00 N ATOM 507 CA ALA A 32 50.510 -4.694 16.710 1.00 0.00 C ATOM 508 C ALA A 32 51.790 -4.149 17.284 1.00 0.00 C ATOM 509 O ALA A 32 52.210 -3.040 16.970 1.00 0.00 O ATOM 510 CB ALA A 32 50.810 -5.718 15.630 1.00 0.00 C ATOM 0 H ALA A 32 50.232 -2.746 16.056 1.00 0.00 H new ATOM 0 HA ALA A 32 49.948 -5.165 17.516 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.395 -6.534 16.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.875 -6.111 15.232 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.376 -5.245 14.827 1.00 0.00 H new ATOM 516 N GLU A 33 52.397 -4.928 18.137 1.00 0.00 N ATOM 517 CA GLU A 33 53.619 -4.534 18.767 1.00 0.00 C ATOM 518 C GLU A 33 54.741 -5.401 18.258 1.00 0.00 C ATOM 519 O GLU A 33 55.064 -6.443 18.825 1.00 0.00 O ATOM 520 CB GLU A 33 53.429 -4.685 20.248 1.00 0.00 C ATOM 521 CG GLU A 33 54.009 -3.469 20.945 1.00 0.00 C ATOM 522 CD GLU A 33 54.021 -3.679 22.456 1.00 0.00 C ATOM 523 OE1 GLU A 33 54.767 -2.983 23.125 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.284 -4.532 22.921 1.00 0.00 O ATOM 0 H GLU A 33 52.057 -5.850 18.412 1.00 0.00 H new ATOM 0 HA GLU A 33 53.876 -3.499 18.540 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.369 -4.785 20.484 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.921 -5.592 20.600 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.023 -3.286 20.589 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.420 -2.585 20.699 1.00 0.00 H new ATOM 531 N VAL A 34 55.310 -4.950 17.167 1.00 0.00 N ATOM 532 CA VAL A 34 56.390 -5.672 16.521 1.00 0.00 C ATOM 533 C VAL A 34 57.699 -5.437 17.245 1.00 0.00 C ATOM 534 O VAL A 34 58.114 -4.295 17.427 1.00 0.00 O ATOM 535 CB VAL A 34 56.573 -5.208 15.072 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.488 -6.200 14.354 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.226 -5.115 14.342 1.00 0.00 C ATOM 0 H VAL A 34 55.045 -4.082 16.702 1.00 0.00 H new ATOM 0 HA VAL A 34 56.125 -6.729 16.546 1.00 0.00 H new ATOM 0 HB VAL A 34 57.018 -4.213 15.072 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.628 -5.883 13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.454 -6.234 14.857 1.00 0.00 H new ATOM 0 HG13 VAL A 34 57.035 -7.191 14.371 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.390 -4.783 13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.748 -6.095 14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.582 -4.401 14.856 1.00 0.00 H new ATOM 547 N LEU A 35 58.363 -6.515 17.647 1.00 0.00 N ATOM 548 CA LEU A 35 59.639 -6.369 18.325 1.00 0.00 C ATOM 549 C LEU A 35 60.737 -7.112 17.558 1.00 0.00 C ATOM 550 O LEU A 35 60.562 -8.263 17.158 1.00 0.00 O ATOM 551 CB LEU A 35 59.545 -6.890 19.756 1.00 0.00 C ATOM 552 CG LEU A 35 60.948 -6.969 20.371 1.00 0.00 C ATOM 553 CD1 LEU A 35 60.827 -6.966 21.894 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.665 -8.252 19.910 1.00 0.00 C ATOM 0 H LEU A 35 58.046 -7.476 17.518 1.00 0.00 H new ATOM 0 HA LEU A 35 59.894 -5.310 18.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.913 -6.232 20.352 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.078 -7.875 19.765 1.00 0.00 H new ATOM 0 HG LEU A 35 61.531 -6.108 20.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.821 -7.022 22.338 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.336 -6.048 22.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.238 -7.825 22.214 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.659 -8.293 20.355 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.090 -9.123 20.225 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.754 -8.249 18.824 1.00 0.00 H new ATOM 566 N LEU A 36 61.857 -6.428 17.338 1.00 0.00 N ATOM 567 CA LEU A 36 62.987 -6.991 16.595 1.00 0.00 C ATOM 568 C LEU A 36 64.199 -7.234 17.491 1.00 0.00 C ATOM 569 O LEU A 36 64.645 -6.324 18.179 1.00 0.00 O ATOM 570 CB LEU A 36 63.403 -5.983 15.532 1.00 0.00 C ATOM 571 CG LEU A 36 62.533 -6.127 14.283 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.058 -6.213 14.676 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.734 -4.901 13.399 1.00 0.00 C ATOM 0 H LEU A 36 62.009 -5.474 17.666 1.00 0.00 H new ATOM 0 HA LEU A 36 62.670 -7.943 16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.315 -4.971 15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.451 -6.133 15.271 1.00 0.00 H new ATOM 0 HG LEU A 36 62.817 -7.034 13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.448 -6.315 13.779 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.903 -7.078 15.321 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.770 -5.307 15.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.118 -4.993 12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.445 -4.005 13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.783 -4.828 13.111 1.00 0.00 H new ATOM 585 N ARG A 37 64.760 -8.446 17.461 1.00 0.00 N ATOM 586 CA ARG A 37 65.934 -8.729 18.256 1.00 0.00 C ATOM 587 C ARG A 37 66.827 -9.749 17.590 1.00 0.00 C ATOM 588 O ARG A 37 66.380 -10.545 16.773 1.00 0.00 O ATOM 589 CB ARG A 37 65.542 -9.283 19.612 1.00 0.00 C ATOM 590 CG ARG A 37 64.743 -10.568 19.434 1.00 0.00 C ATOM 591 CD ARG A 37 64.035 -10.945 20.744 1.00 0.00 C ATOM 592 NE ARG A 37 64.356 -12.319 21.113 1.00 0.00 N ATOM 593 CZ ARG A 37 64.124 -12.773 22.340 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.416 -14.008 22.645 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.603 -11.984 23.240 1.00 0.00 N ATOM 0 H ARG A 37 64.420 -9.228 16.902 1.00 0.00 H new ATOM 0 HA ARG A 37 66.469 -7.786 18.364 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.434 -9.478 20.207 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.950 -8.548 20.158 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.008 -10.439 18.640 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.406 -11.376 19.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.341 -10.266 21.540 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.957 -10.834 20.628 1.00 0.00 H new ATOM 0 HE ARG A 37 64.766 -12.942 20.417 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.822 -14.625 21.941 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.238 -14.356 23.587 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.374 -11.019 23.001 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.425 -12.332 24.182 1.00 0.00 H new ATOM 609 N ASN A 38 68.080 -9.758 18.005 1.00 0.00 N ATOM 610 CA ASN A 38 69.028 -10.729 17.500 1.00 0.00 C ATOM 611 C ASN A 38 69.203 -11.823 18.533 1.00 0.00 C ATOM 612 O ASN A 38 69.377 -11.531 19.723 1.00 0.00 O ATOM 613 CB ASN A 38 70.403 -10.127 17.276 1.00 0.00 C ATOM 614 CG ASN A 38 70.359 -8.816 16.534 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.328 -8.416 16.001 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.450 -8.113 16.485 1.00 0.00 N ATOM 0 H ASN A 38 68.463 -9.105 18.689 1.00 0.00 H new ATOM 0 HA ASN A 38 68.635 -11.099 16.553 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.889 -9.976 18.240 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.016 -10.834 16.717 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.457 -7.216 15.999 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.299 -8.458 16.932 1.00 0.00 H new ATOM 623 N ASP A 39 69.207 -13.069 18.083 1.00 0.00 N ATOM 624 CA ASP A 39 69.408 -14.177 19.013 1.00 0.00 C ATOM 625 C ASP A 39 70.744 -13.997 19.716 1.00 0.00 C ATOM 626 O ASP A 39 71.122 -14.785 20.584 1.00 0.00 O ATOM 627 CB ASP A 39 69.382 -15.522 18.289 1.00 0.00 C ATOM 628 CG ASP A 39 69.404 -16.658 19.306 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.434 -16.795 20.033 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.390 -17.375 19.342 1.00 0.00 O ATOM 0 H ASP A 39 69.077 -13.337 17.107 1.00 0.00 H new ATOM 0 HA ASP A 39 68.596 -14.173 19.740 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.488 -15.594 17.669 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.240 -15.603 17.622 1.00 0.00 H new ATOM 635 N GLU A 40 71.444 -12.934 19.335 1.00 0.00 N ATOM 636 CA GLU A 40 72.733 -12.614 19.924 1.00 0.00 C ATOM 637 C GLU A 40 72.524 -12.044 21.315 1.00 0.00 C ATOM 638 O GLU A 40 73.446 -12.003 22.130 1.00 0.00 O ATOM 639 CB GLU A 40 73.441 -11.558 19.069 1.00 0.00 C ATOM 640 CG GLU A 40 74.112 -12.211 17.860 1.00 0.00 C ATOM 641 CD GLU A 40 75.262 -13.104 18.314 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.527 -14.085 17.639 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.862 -12.793 19.330 1.00 0.00 O ATOM 0 H GLU A 40 71.136 -12.278 18.617 1.00 0.00 H new ATOM 0 HA GLU A 40 73.337 -13.520 19.974 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.722 -10.811 18.734 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.187 -11.036 19.669 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.382 -12.800 17.304 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.484 -11.443 17.182 1.00 0.00 H new ATOM 650 N GLY A 41 71.307 -11.575 21.566 1.00 0.00 N ATOM 651 CA GLY A 41 70.979 -10.972 22.845 1.00 0.00 C ATOM 652 C GLY A 41 70.605 -9.520 22.621 1.00 0.00 C ATOM 653 O GLY A 41 70.260 -8.799 23.557 1.00 0.00 O ATOM 0 H GLY A 41 70.535 -11.602 20.900 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.152 -11.506 23.313 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.829 -11.042 23.524 1.00 0.00 H new ATOM 657 N THR A 42 70.659 -9.102 21.355 1.00 0.00 N ATOM 658 CA THR A 42 70.300 -7.731 21.008 1.00 0.00 C ATOM 659 C THR A 42 68.788 -7.648 20.885 1.00 0.00 C ATOM 660 O THR A 42 68.161 -8.581 20.396 1.00 0.00 O ATOM 661 CB THR A 42 70.993 -7.305 19.698 1.00 0.00 C ATOM 662 OG1 THR A 42 71.972 -6.319 19.992 1.00 0.00 O ATOM 663 CG2 THR A 42 69.981 -6.724 18.700 1.00 0.00 C ATOM 0 H THR A 42 70.943 -9.684 20.567 1.00 0.00 H new ATOM 0 HA THR A 42 70.637 -7.047 21.787 1.00 0.00 H new ATOM 0 HB THR A 42 71.456 -8.184 19.249 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.418 -6.044 19.164 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.498 -6.432 17.786 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.227 -7.476 18.466 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.498 -5.851 19.138 1.00 0.00 H new ATOM 671 N GLU A 43 68.202 -6.549 21.344 1.00 0.00 N ATOM 672 CA GLU A 43 66.748 -6.401 21.287 1.00 0.00 C ATOM 673 C GLU A 43 66.350 -5.042 20.734 1.00 0.00 C ATOM 674 O GLU A 43 66.864 -4.011 21.167 1.00 0.00 O ATOM 675 CB GLU A 43 66.140 -6.587 22.688 1.00 0.00 C ATOM 676 CG GLU A 43 67.192 -7.155 23.645 1.00 0.00 C ATOM 677 CD GLU A 43 68.240 -6.093 23.960 1.00 0.00 C ATOM 678 OE1 GLU A 43 69.205 -6.420 24.630 1.00 0.00 O ATOM 679 OE2 GLU A 43 68.062 -4.967 23.525 1.00 0.00 O ATOM 0 H GLU A 43 68.699 -5.758 21.754 1.00 0.00 H new ATOM 0 HA GLU A 43 66.362 -7.169 20.617 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.773 -5.632 23.064 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.284 -7.259 22.635 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.714 -7.490 24.566 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.669 -8.027 23.198 1.00 0.00 H new ATOM 686 N ALA A 44 65.431 -5.048 19.768 1.00 0.00 N ATOM 687 CA ALA A 44 64.979 -3.810 19.163 1.00 0.00 C ATOM 688 C ALA A 44 63.460 -3.743 19.064 1.00 0.00 C ATOM 689 O ALA A 44 62.834 -4.560 18.392 1.00 0.00 O ATOM 690 CB ALA A 44 65.560 -3.696 17.758 1.00 0.00 C ATOM 0 H ALA A 44 64.993 -5.891 19.396 1.00 0.00 H new ATOM 0 HA ALA A 44 65.318 -2.991 19.797 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.223 -2.767 17.299 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.649 -3.699 17.813 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.225 -4.540 17.156 1.00 0.00 H new ATOM 696 N GLU A 45 62.884 -2.732 19.695 1.00 0.00 N ATOM 697 CA GLU A 45 61.447 -2.527 19.628 1.00 0.00 C ATOM 698 C GLU A 45 61.125 -1.799 18.337 1.00 0.00 C ATOM 699 O GLU A 45 61.501 -0.641 18.168 1.00 0.00 O ATOM 700 CB GLU A 45 60.974 -1.680 20.813 1.00 0.00 C ATOM 701 CG GLU A 45 59.918 -2.440 21.615 1.00 0.00 C ATOM 702 CD GLU A 45 59.651 -1.728 22.936 1.00 0.00 C ATOM 703 OE1 GLU A 45 58.491 -1.594 23.291 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.610 -1.327 23.574 1.00 0.00 O ATOM 0 H GLU A 45 63.387 -2.044 20.256 1.00 0.00 H new ATOM 0 HA GLU A 45 60.941 -3.492 19.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.820 -1.433 21.454 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.560 -0.738 20.454 1.00 0.00 H new ATOM 0 HG2 GLU A 45 58.995 -2.513 21.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.257 -3.459 21.804 1.00 0.00 H new ATOM 711 N ALA A 46 60.443 -2.472 17.425 1.00 0.00 N ATOM 712 CA ALA A 46 60.098 -1.858 16.155 1.00 0.00 C ATOM 713 C ALA A 46 59.941 -0.344 16.301 1.00 0.00 C ATOM 714 O ALA A 46 60.756 0.421 15.799 1.00 0.00 O ATOM 715 CB ALA A 46 58.798 -2.461 15.637 1.00 0.00 C ATOM 0 H ALA A 46 60.121 -3.433 17.538 1.00 0.00 H new ATOM 0 HA ALA A 46 60.904 -2.051 15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.538 -2.001 14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.925 -3.535 15.499 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.000 -2.279 16.357 1.00 0.00 H new ATOM 721 N ASN A 47 58.883 0.071 16.983 1.00 0.00 N ATOM 722 CA ASN A 47 58.592 1.492 17.184 1.00 0.00 C ATOM 723 C ASN A 47 59.815 2.330 17.594 1.00 0.00 C ATOM 724 O ASN A 47 59.648 3.446 18.087 1.00 0.00 O ATOM 725 CB ASN A 47 57.506 1.640 18.251 1.00 0.00 C ATOM 726 CG ASN A 47 56.924 3.049 18.215 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.418 3.907 17.484 1.00 0.00 O ATOM 728 ND2 ASN A 47 55.896 3.340 18.964 1.00 0.00 N ATOM 0 H ASN A 47 58.204 -0.558 17.411 1.00 0.00 H new ATOM 0 HA ASN A 47 58.261 1.876 16.219 1.00 0.00 H new ATOM 0 HB2 ASN A 47 56.717 0.908 18.081 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.924 1.436 19.237 1.00 0.00 H new ATOM 0 HD21 ASN A 47 55.500 4.280 18.944 1.00 0.00 H new ATOM 0 HD22 ASN A 47 55.488 2.628 19.569 1.00 0.00 H new ATOM 735 N SER A 48 61.036 1.826 17.391 1.00 0.00 N ATOM 736 CA SER A 48 62.223 2.597 17.753 1.00 0.00 C ATOM 737 C SER A 48 63.302 2.476 16.677 1.00 0.00 C ATOM 738 O SER A 48 63.567 1.387 16.170 1.00 0.00 O ATOM 739 CB SER A 48 62.773 2.105 19.092 1.00 0.00 C ATOM 740 OG SER A 48 62.298 2.949 20.133 1.00 0.00 O ATOM 0 H SER A 48 61.224 0.908 16.987 1.00 0.00 H new ATOM 0 HA SER A 48 61.937 3.645 17.839 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.460 1.076 19.271 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.863 2.108 19.074 1.00 0.00 H new ATOM 0 HG SER A 48 62.647 2.636 20.993 1.00 0.00 H new ATOM 746 N VAL A 49 63.933 3.601 16.345 1.00 0.00 N ATOM 747 CA VAL A 49 64.997 3.602 15.344 1.00 0.00 C ATOM 748 C VAL A 49 66.291 3.130 15.981 1.00 0.00 C ATOM 749 O VAL A 49 67.076 2.411 15.363 1.00 0.00 O ATOM 750 CB VAL A 49 65.186 5.004 14.763 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.853 4.905 13.389 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.821 5.681 14.618 1.00 0.00 C ATOM 0 H VAL A 49 63.729 4.515 16.750 1.00 0.00 H new ATOM 0 HA VAL A 49 64.720 2.927 14.535 1.00 0.00 H new ATOM 0 HB VAL A 49 65.817 5.591 15.430 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.987 5.905 12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.825 4.421 13.490 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.223 4.318 12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.953 6.681 14.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.192 5.092 13.951 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.345 5.753 15.596 1.00 0.00 H new ATOM 762 N ILE A 50 66.489 3.506 17.239 1.00 0.00 N ATOM 763 CA ILE A 50 67.652 3.089 17.968 1.00 0.00 C ATOM 764 C ILE A 50 67.707 1.579 17.890 1.00 0.00 C ATOM 765 O ILE A 50 68.768 0.971 17.754 1.00 0.00 O ATOM 766 CB ILE A 50 67.482 3.579 19.408 1.00 0.00 C ATOM 767 CG1 ILE A 50 68.696 4.410 19.828 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.286 2.411 20.364 1.00 0.00 C ATOM 769 CD1 ILE A 50 69.984 3.592 19.661 1.00 0.00 C ATOM 0 H ILE A 50 65.849 4.101 17.766 1.00 0.00 H new ATOM 0 HA ILE A 50 68.581 3.495 17.568 1.00 0.00 H new ATOM 0 HB ILE A 50 66.590 4.205 19.452 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.752 5.316 19.225 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.589 4.724 20.866 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.168 2.788 21.380 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.395 1.853 20.078 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.155 1.755 20.319 1.00 0.00 H new ATOM 0 HD11 ILE A 50 70.840 4.195 19.963 1.00 0.00 H new ATOM 0 HD12 ILE A 50 69.931 2.699 20.284 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.097 3.300 18.617 1.00 0.00 H new ATOM 781 N ALA A 51 66.519 1.000 17.951 1.00 0.00 N ATOM 782 CA ALA A 51 66.359 -0.426 17.862 1.00 0.00 C ATOM 783 C ALA A 51 66.954 -0.918 16.550 1.00 0.00 C ATOM 784 O ALA A 51 67.885 -1.719 16.542 1.00 0.00 O ATOM 785 CB ALA A 51 64.860 -0.755 17.924 1.00 0.00 C ATOM 0 H ALA A 51 65.644 1.513 18.064 1.00 0.00 H new ATOM 0 HA ALA A 51 66.873 -0.919 18.687 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.721 -1.834 17.858 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.447 -0.393 18.866 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.347 -0.271 17.093 1.00 0.00 H new ATOM 791 N LEU A 52 66.415 -0.418 15.446 1.00 0.00 N ATOM 792 CA LEU A 52 66.895 -0.798 14.131 1.00 0.00 C ATOM 793 C LEU A 52 68.408 -0.616 14.043 1.00 0.00 C ATOM 794 O LEU A 52 69.121 -1.487 13.544 1.00 0.00 O ATOM 795 CB LEU A 52 66.221 0.069 13.062 1.00 0.00 C ATOM 796 CG LEU A 52 64.693 0.106 13.242 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.114 1.165 12.300 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.064 -1.254 12.899 1.00 0.00 C ATOM 0 H LEU A 52 65.645 0.251 15.439 1.00 0.00 H new ATOM 0 HA LEU A 52 66.651 -1.847 13.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.618 1.083 13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.462 -0.320 12.073 1.00 0.00 H new ATOM 0 HG LEU A 52 64.469 0.342 14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.031 1.203 12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.539 2.139 12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.359 0.908 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.984 -1.200 13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.287 -1.507 11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.474 -2.021 13.556 1.00 0.00 H new ATOM 810 N LEU A 53 68.886 0.525 14.523 1.00 0.00 N ATOM 811 CA LEU A 53 70.314 0.823 14.488 1.00 0.00 C ATOM 812 C LEU A 53 71.114 -0.230 15.257 1.00 0.00 C ATOM 813 O LEU A 53 72.171 -0.672 14.808 1.00 0.00 O ATOM 814 CB LEU A 53 70.558 2.209 15.101 1.00 0.00 C ATOM 815 CG LEU A 53 71.758 2.897 14.429 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.979 1.973 14.473 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.421 3.239 12.968 1.00 0.00 C ATOM 0 H LEU A 53 68.310 1.257 14.939 1.00 0.00 H new ATOM 0 HA LEU A 53 70.647 0.811 13.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.667 2.826 14.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.741 2.112 16.171 1.00 0.00 H new ATOM 0 HG LEU A 53 71.983 3.818 14.967 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.826 2.466 13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.228 1.748 15.510 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.753 1.047 13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.277 3.726 12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.184 2.324 12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.563 3.910 12.940 1.00 0.00 H new ATOM 829 N MET A 54 70.609 -0.615 16.423 1.00 0.00 N ATOM 830 CA MET A 54 71.290 -1.602 17.259 1.00 0.00 C ATOM 831 C MET A 54 71.526 -2.914 16.509 1.00 0.00 C ATOM 832 O MET A 54 72.532 -3.588 16.731 1.00 0.00 O ATOM 833 CB MET A 54 70.459 -1.880 18.516 1.00 0.00 C ATOM 834 CG MET A 54 71.116 -2.998 19.332 1.00 0.00 C ATOM 835 SD MET A 54 70.555 -2.897 21.050 1.00 0.00 S ATOM 836 CE MET A 54 72.103 -3.417 21.830 1.00 0.00 C ATOM 0 H MET A 54 69.735 -0.262 16.812 1.00 0.00 H new ATOM 0 HA MET A 54 72.260 -1.188 17.534 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.379 -0.975 19.119 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.445 -2.167 18.237 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.859 -3.970 18.911 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.201 -2.907 19.286 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.888 -3.881 22.793 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.611 -4.135 21.187 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.744 -2.548 21.981 1.00 0.00 H new ATOM 846 N LEU A 55 70.592 -3.283 15.637 1.00 0.00 N ATOM 847 CA LEU A 55 70.717 -4.534 14.884 1.00 0.00 C ATOM 848 C LEU A 55 71.520 -4.323 13.606 1.00 0.00 C ATOM 849 O LEU A 55 71.918 -5.280 12.948 1.00 0.00 O ATOM 850 CB LEU A 55 69.330 -5.118 14.570 1.00 0.00 C ATOM 851 CG LEU A 55 68.257 -4.418 15.409 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.879 -4.994 15.062 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.549 -4.638 16.902 1.00 0.00 C ATOM 0 H LEU A 55 69.750 -2.744 15.434 1.00 0.00 H new ATOM 0 HA LEU A 55 71.256 -5.251 15.503 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.108 -4.997 13.510 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.323 -6.188 14.777 1.00 0.00 H new ATOM 0 HG LEU A 55 68.266 -3.350 15.193 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.115 -4.496 15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.674 -4.834 14.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.867 -6.063 15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.785 -4.140 17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.541 -5.706 17.121 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.528 -4.225 17.146 1.00 0.00 H new ATOM 865 N ASP A 56 71.776 -3.067 13.276 1.00 0.00 N ATOM 866 CA ASP A 56 72.558 -2.749 12.094 1.00 0.00 C ATOM 867 C ASP A 56 73.870 -3.503 12.174 1.00 0.00 C ATOM 868 O ASP A 56 74.416 -3.946 11.164 1.00 0.00 O ATOM 869 CB ASP A 56 72.824 -1.244 12.019 1.00 0.00 C ATOM 870 CG ASP A 56 73.531 -0.903 10.712 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.886 -1.826 9.995 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.706 0.275 10.446 1.00 0.00 O ATOM 0 H ASP A 56 71.456 -2.257 13.806 1.00 0.00 H new ATOM 0 HA ASP A 56 72.009 -3.041 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.884 -0.697 12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.436 -0.932 12.865 1.00 0.00 H new ATOM 877 N SER A 57 74.352 -3.670 13.402 1.00 0.00 N ATOM 878 CA SER A 57 75.581 -4.402 13.629 1.00 0.00 C ATOM 879 C SER A 57 75.382 -5.838 13.175 1.00 0.00 C ATOM 880 O SER A 57 76.339 -6.604 13.067 1.00 0.00 O ATOM 881 CB SER A 57 75.951 -4.371 15.112 1.00 0.00 C ATOM 882 OG SER A 57 75.815 -3.044 15.602 1.00 0.00 O ATOM 0 H SER A 57 73.909 -3.309 14.247 1.00 0.00 H new ATOM 0 HA SER A 57 76.391 -3.941 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.306 -5.046 15.674 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.975 -4.719 15.251 1.00 0.00 H new ATOM 0 HG SER A 57 76.050 -3.021 16.553 1.00 0.00 H new ATOM 888 N ALA A 58 74.119 -6.183 12.899 1.00 0.00 N ATOM 889 CA ALA A 58 73.772 -7.534 12.431 1.00 0.00 C ATOM 890 C ALA A 58 74.958 -8.172 11.712 1.00 0.00 C ATOM 891 O ALA A 58 75.861 -8.726 12.339 1.00 0.00 O ATOM 892 CB ALA A 58 72.601 -7.449 11.448 1.00 0.00 C ATOM 0 H ALA A 58 73.323 -5.551 12.990 1.00 0.00 H new ATOM 0 HA ALA A 58 73.502 -8.139 13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.344 -8.450 11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.739 -7.005 11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.885 -6.832 10.596 1.00 0.00 H new ATOM 898 N LYS A 59 74.943 -8.073 10.388 1.00 0.00 N ATOM 899 CA LYS A 59 76.015 -8.621 9.568 1.00 0.00 C ATOM 900 C LYS A 59 76.412 -10.014 10.043 1.00 0.00 C ATOM 901 O LYS A 59 77.436 -10.192 10.703 1.00 0.00 O ATOM 902 CB LYS A 59 77.230 -7.675 9.609 1.00 0.00 C ATOM 903 CG LYS A 59 77.940 -7.640 8.245 1.00 0.00 C ATOM 904 CD LYS A 59 78.880 -8.846 8.102 1.00 0.00 C ATOM 905 CE LYS A 59 80.202 -8.578 8.832 1.00 0.00 C ATOM 906 NZ LYS A 59 80.737 -7.245 8.433 1.00 0.00 N ATOM 0 H LYS A 59 74.199 -7.618 9.859 1.00 0.00 H new ATOM 0 HA LYS A 59 75.658 -8.708 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.906 -6.671 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.928 -8.005 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.202 -7.649 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.507 -6.714 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.404 -9.737 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.072 -9.043 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.046 -8.610 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.925 -9.357 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.776 -7.264 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.425 -7.021 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.383 -6.519 9.088 1.00 0.00 H new ATOM 920 N GLY A 60 75.592 -11.000 9.702 1.00 0.00 N ATOM 921 CA GLY A 60 75.869 -12.377 10.101 1.00 0.00 C ATOM 922 C GLY A 60 75.241 -12.655 11.452 1.00 0.00 C ATOM 923 O GLY A 60 75.922 -13.008 12.415 1.00 0.00 O ATOM 0 H GLY A 60 74.739 -10.876 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.473 -13.068 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.945 -12.542 10.149 1.00 0.00 H new ATOM 927 N ARG A 61 73.936 -12.466 11.509 1.00 0.00 N ATOM 928 CA ARG A 61 73.184 -12.662 12.735 1.00 0.00 C ATOM 929 C ARG A 61 71.809 -13.226 12.407 1.00 0.00 C ATOM 930 O ARG A 61 71.398 -13.236 11.246 1.00 0.00 O ATOM 931 CB ARG A 61 73.024 -11.298 13.430 1.00 0.00 C ATOM 932 CG ARG A 61 71.932 -10.485 12.721 1.00 0.00 C ATOM 933 CD ARG A 61 70.548 -10.783 13.313 1.00 0.00 C ATOM 934 NE ARG A 61 69.640 -9.675 13.041 1.00 0.00 N ATOM 935 CZ ARG A 61 69.951 -8.421 13.329 1.00 0.00 C ATOM 936 NH1 ARG A 61 69.193 -7.460 12.897 1.00 0.00 N ATOM 937 NH2 ARG A 61 70.990 -8.148 14.069 1.00 0.00 N ATOM 0 H ARG A 61 73.370 -12.174 10.712 1.00 0.00 H new ATOM 0 HA ARG A 61 73.709 -13.360 13.388 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.762 -11.441 14.478 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.968 -10.754 13.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 72.149 -9.421 12.814 1.00 0.00 H new ATOM 0 HG3 ARG A 61 71.934 -10.719 11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 61 70.151 -11.703 12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 61 70.630 -10.941 14.388 1.00 0.00 H new ATOM 0 HE ARG A 61 68.735 -9.873 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 68.365 -7.674 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 61 69.425 -6.491 13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 61 71.571 -8.904 14.431 1.00 0.00 H new ATOM 0 HH22 ARG A 61 71.221 -7.178 14.285 1.00 0.00 H new ATOM 951 N GLN A 62 71.078 -13.640 13.433 1.00 0.00 N ATOM 952 CA GLN A 62 69.725 -14.137 13.241 1.00 0.00 C ATOM 953 C GLN A 62 68.812 -13.290 14.106 1.00 0.00 C ATOM 954 O GLN A 62 69.103 -13.055 15.279 1.00 0.00 O ATOM 955 CB GLN A 62 69.618 -15.611 13.633 1.00 0.00 C ATOM 956 CG GLN A 62 69.672 -15.725 15.149 1.00 0.00 C ATOM 957 CD GLN A 62 70.014 -17.153 15.562 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.474 -17.661 16.545 1.00 0.00 O ATOM 959 NE2 GLN A 62 70.884 -17.834 14.868 1.00 0.00 N ATOM 0 H GLN A 62 71.398 -13.641 14.401 1.00 0.00 H new ATOM 0 HA GLN A 62 69.442 -14.067 12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.687 -16.034 13.256 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.432 -16.180 13.183 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.418 -15.036 15.546 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.712 -15.436 15.576 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.330 -17.411 14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.118 -18.789 15.139 1.00 0.00 H new ATOM 968 N ILE A 63 67.737 -12.796 13.524 1.00 0.00 N ATOM 969 CA ILE A 63 66.833 -11.939 14.247 1.00 0.00 C ATOM 970 C ILE A 63 65.600 -12.685 14.664 1.00 0.00 C ATOM 971 O ILE A 63 65.122 -13.572 13.966 1.00 0.00 O ATOM 972 CB ILE A 63 66.444 -10.765 13.364 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.750 -9.696 14.204 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.501 -11.241 12.260 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.795 -8.733 14.759 1.00 0.00 C ATOM 0 H ILE A 63 67.473 -12.976 12.555 1.00 0.00 H new ATOM 0 HA ILE A 63 67.336 -11.582 15.146 1.00 0.00 H new ATOM 0 HB ILE A 63 67.342 -10.342 12.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 65.025 -9.154 13.597 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.197 -10.161 15.020 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.224 -10.397 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 63 66.001 -11.997 11.655 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.604 -11.669 12.707 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.302 -7.968 15.359 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.502 -9.282 15.380 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.328 -8.259 13.934 1.00 0.00 H new ATOM 987 N GLU A 64 65.090 -12.285 15.803 1.00 0.00 N ATOM 988 CA GLU A 64 63.890 -12.872 16.351 1.00 0.00 C ATOM 989 C GLU A 64 62.804 -11.822 16.307 1.00 0.00 C ATOM 990 O GLU A 64 62.799 -10.883 17.100 1.00 0.00 O ATOM 991 CB GLU A 64 64.151 -13.344 17.790 1.00 0.00 C ATOM 992 CG GLU A 64 63.622 -14.767 17.991 1.00 0.00 C ATOM 993 CD GLU A 64 62.099 -14.756 18.060 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.555 -13.776 18.542 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.499 -15.727 17.631 1.00 0.00 O ATOM 0 H GLU A 64 65.494 -11.544 16.376 1.00 0.00 H new ATOM 0 HA GLU A 64 63.581 -13.742 15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.220 -13.314 18.001 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.668 -12.667 18.495 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.952 -15.405 17.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.032 -15.189 18.908 1.00 0.00 H new ATOM 1002 N VAL A 65 61.901 -11.955 15.354 1.00 0.00 N ATOM 1003 CA VAL A 65 60.850 -10.984 15.215 1.00 0.00 C ATOM 1004 C VAL A 65 59.693 -11.342 16.107 1.00 0.00 C ATOM 1005 O VAL A 65 59.345 -12.510 16.215 1.00 0.00 O ATOM 1006 CB VAL A 65 60.376 -10.965 13.765 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.571 -12.233 13.458 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.501 -9.736 13.550 1.00 0.00 C ATOM 0 H VAL A 65 61.879 -12.717 14.677 1.00 0.00 H new ATOM 0 HA VAL A 65 61.230 -10.003 15.499 1.00 0.00 H new ATOM 0 HB VAL A 65 61.238 -10.929 13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.237 -12.210 12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.198 -13.110 13.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.704 -12.282 14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 65 59.156 -9.711 12.516 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.641 -9.780 14.219 1.00 0.00 H new ATOM 0 HG23 VAL A 65 60.079 -8.836 13.761 1.00 0.00 H new ATOM 1018 N GLU A 66 59.080 -10.349 16.730 1.00 0.00 N ATOM 1019 CA GLU A 66 57.930 -10.635 17.558 1.00 0.00 C ATOM 1020 C GLU A 66 56.899 -9.513 17.479 1.00 0.00 C ATOM 1021 O GLU A 66 57.165 -8.396 17.916 1.00 0.00 O ATOM 1022 CB GLU A 66 58.322 -10.843 19.016 1.00 0.00 C ATOM 1023 CG GLU A 66 57.043 -10.884 19.858 1.00 0.00 C ATOM 1024 CD GLU A 66 57.321 -11.541 21.206 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.807 -11.052 22.199 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.044 -12.524 21.226 1.00 0.00 O ATOM 0 H GLU A 66 59.352 -9.367 16.679 1.00 0.00 H new ATOM 0 HA GLU A 66 57.494 -11.557 17.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.881 -11.772 19.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.972 -10.036 19.353 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.666 -9.873 20.009 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.268 -11.438 19.328 1.00 0.00 H new ATOM 1033 N ALA A 67 55.708 -9.814 16.960 1.00 0.00 N ATOM 1034 CA ALA A 67 54.654 -8.805 16.885 1.00 0.00 C ATOM 1035 C ALA A 67 53.456 -9.248 17.709 1.00 0.00 C ATOM 1036 O ALA A 67 53.273 -10.441 17.948 1.00 0.00 O ATOM 1037 CB ALA A 67 54.254 -8.552 15.433 1.00 0.00 C ATOM 0 H ALA A 67 55.453 -10.730 16.592 1.00 0.00 H new ATOM 0 HA ALA A 67 55.031 -7.868 17.295 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.468 -7.798 15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.120 -8.200 14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.888 -9.478 14.990 1.00 0.00 H new ATOM 1043 N THR A 68 52.661 -8.288 18.180 1.00 0.00 N ATOM 1044 CA THR A 68 51.518 -8.628 19.012 1.00 0.00 C ATOM 1045 C THR A 68 50.397 -7.590 18.921 1.00 0.00 C ATOM 1046 O THR A 68 50.474 -6.522 19.528 1.00 0.00 O ATOM 1047 CB THR A 68 51.977 -8.728 20.463 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.989 -9.719 20.574 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.791 -9.101 21.342 1.00 0.00 C ATOM 0 H THR A 68 52.786 -7.291 18.003 1.00 0.00 H new ATOM 0 HA THR A 68 51.120 -9.577 18.653 1.00 0.00 H new ATOM 0 HB THR A 68 52.379 -7.768 20.787 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.285 -9.782 21.506 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.116 -9.173 22.380 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.019 -8.336 21.256 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.388 -10.061 21.020 1.00 0.00 H new ATOM 1057 N GLY A 69 49.346 -7.930 18.184 1.00 0.00 N ATOM 1058 CA GLY A 69 48.191 -7.049 18.038 1.00 0.00 C ATOM 1059 C GLY A 69 47.270 -7.533 16.922 1.00 0.00 C ATOM 1060 O GLY A 69 47.575 -8.489 16.218 1.00 0.00 O ATOM 0 H GLY A 69 49.269 -8.812 17.677 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.639 -7.008 18.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.528 -6.035 17.822 1.00 0.00 H new ATOM 1064 N PRO A 70 46.153 -6.898 16.749 1.00 0.00 N ATOM 1065 CA PRO A 70 45.173 -7.271 15.695 1.00 0.00 C ATOM 1066 C PRO A 70 45.827 -7.717 14.391 1.00 0.00 C ATOM 1067 O PRO A 70 45.483 -8.764 13.844 1.00 0.00 O ATOM 1068 CB PRO A 70 44.400 -5.976 15.500 1.00 0.00 C ATOM 1069 CG PRO A 70 44.352 -5.374 16.864 1.00 0.00 C ATOM 1070 CD PRO A 70 45.680 -5.746 17.538 1.00 0.00 C ATOM 0 HA PRO A 70 44.562 -8.126 15.984 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.899 -5.316 14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.399 -6.164 15.111 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.232 -4.292 16.809 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.505 -5.760 17.431 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.391 -4.920 17.509 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.539 -6.008 18.587 1.00 0.00 H new ATOM 1078 N GLN A 71 46.742 -6.900 13.882 1.00 0.00 N ATOM 1079 CA GLN A 71 47.407 -7.214 12.609 1.00 0.00 C ATOM 1080 C GLN A 71 48.930 -7.363 12.749 1.00 0.00 C ATOM 1081 O GLN A 71 49.685 -6.909 11.890 1.00 0.00 O ATOM 1082 CB GLN A 71 47.086 -6.114 11.592 1.00 0.00 C ATOM 1083 CG GLN A 71 45.660 -6.300 11.062 1.00 0.00 C ATOM 1084 CD GLN A 71 45.124 -4.975 10.528 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.901 -4.834 9.326 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.903 -3.991 11.356 1.00 0.00 N ATOM 0 H GLN A 71 47.041 -6.028 14.317 1.00 0.00 H new ATOM 0 HA GLN A 71 47.027 -8.178 12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.186 -5.134 12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.798 -6.149 10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.652 -7.050 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.013 -6.669 11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.089 -4.111 12.352 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.544 -3.102 11.007 1.00 0.00 H new ATOM 1095 N GLU A 72 49.374 -8.020 13.814 1.00 0.00 N ATOM 1096 CA GLU A 72 50.805 -8.240 14.036 1.00 0.00 C ATOM 1097 C GLU A 72 51.408 -9.073 12.925 1.00 0.00 C ATOM 1098 O GLU A 72 52.535 -8.833 12.498 1.00 0.00 O ATOM 1099 CB GLU A 72 51.011 -8.961 15.376 1.00 0.00 C ATOM 1100 CG GLU A 72 49.791 -9.823 15.680 1.00 0.00 C ATOM 1101 CD GLU A 72 50.141 -10.910 16.687 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.230 -11.561 17.170 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.315 -11.074 16.960 1.00 0.00 O ATOM 0 H GLU A 72 48.769 -8.410 14.537 1.00 0.00 H new ATOM 0 HA GLU A 72 51.301 -7.270 14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.907 -9.581 15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.164 -8.234 16.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.988 -9.200 16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.421 -10.277 14.761 1.00 0.00 H new ATOM 1110 N GLU A 73 50.660 -10.050 12.466 1.00 0.00 N ATOM 1111 CA GLU A 73 51.148 -10.914 11.412 1.00 0.00 C ATOM 1112 C GLU A 73 51.494 -10.092 10.181 1.00 0.00 C ATOM 1113 O GLU A 73 52.645 -10.040 9.769 1.00 0.00 O ATOM 1114 CB GLU A 73 50.088 -11.961 11.056 1.00 0.00 C ATOM 1115 CG GLU A 73 49.899 -12.935 12.232 1.00 0.00 C ATOM 1116 CD GLU A 73 50.149 -14.371 11.776 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.363 -15.232 12.136 1.00 0.00 O ATOM 1118 OE2 GLU A 73 51.123 -14.587 11.073 1.00 0.00 O ATOM 0 H GLU A 73 49.721 -10.266 12.800 1.00 0.00 H new ATOM 0 HA GLU A 73 52.046 -11.423 11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 49.143 -11.470 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.391 -12.509 10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.584 -12.678 13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.889 -12.843 12.630 1.00 0.00 H new ATOM 1125 N GLU A 74 50.497 -9.431 9.614 1.00 0.00 N ATOM 1126 CA GLU A 74 50.718 -8.606 8.433 1.00 0.00 C ATOM 1127 C GLU A 74 51.935 -7.712 8.632 1.00 0.00 C ATOM 1128 O GLU A 74 52.718 -7.482 7.712 1.00 0.00 O ATOM 1129 CB GLU A 74 49.488 -7.733 8.184 1.00 0.00 C ATOM 1130 CG GLU A 74 48.226 -8.490 8.594 1.00 0.00 C ATOM 1131 CD GLU A 74 46.994 -7.804 8.013 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.831 -6.619 8.255 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.232 -8.473 7.335 1.00 0.00 O ATOM 0 H GLU A 74 49.533 -9.448 9.948 1.00 0.00 H new ATOM 0 HA GLU A 74 50.891 -9.258 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.568 -6.806 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.433 -7.458 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.279 -9.520 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.152 -8.529 9.681 1.00 0.00 H new ATOM 1140 N ALA A 75 52.060 -7.201 9.843 1.00 0.00 N ATOM 1141 CA ALA A 75 53.156 -6.305 10.199 1.00 0.00 C ATOM 1142 C ALA A 75 54.486 -7.034 10.260 1.00 0.00 C ATOM 1143 O ALA A 75 55.412 -6.694 9.534 1.00 0.00 O ATOM 1144 CB ALA A 75 52.842 -5.656 11.560 1.00 0.00 C ATOM 0 H ALA A 75 51.411 -7.391 10.607 1.00 0.00 H new ATOM 0 HA ALA A 75 53.245 -5.541 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.653 -4.984 11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.912 -5.092 11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.738 -6.432 12.318 1.00 0.00 H new ATOM 1150 N LEU A 76 54.565 -8.031 11.114 1.00 0.00 N ATOM 1151 CA LEU A 76 55.778 -8.817 11.271 1.00 0.00 C ATOM 1152 C LEU A 76 55.995 -9.682 10.038 1.00 0.00 C ATOM 1153 O LEU A 76 57.126 -9.963 9.646 1.00 0.00 O ATOM 1154 CB LEU A 76 55.598 -9.661 12.536 1.00 0.00 C ATOM 1155 CG LEU A 76 56.219 -11.054 12.410 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.315 -11.650 13.816 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.337 -11.962 11.531 1.00 0.00 C ATOM 0 H LEU A 76 53.796 -8.322 11.718 1.00 0.00 H new ATOM 0 HA LEU A 76 56.661 -8.185 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.049 -9.142 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.535 -9.760 12.753 1.00 0.00 H new ATOM 0 HG LEU A 76 57.203 -10.980 11.947 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.755 -12.646 13.760 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.941 -11.012 14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.318 -11.718 14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.795 -12.948 11.453 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.349 -12.055 11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.243 -11.526 10.537 1.00 0.00 H new ATOM 1169 N ALA A 77 54.892 -10.087 9.431 1.00 0.00 N ATOM 1170 CA ALA A 77 54.932 -10.913 8.232 1.00 0.00 C ATOM 1171 C ALA A 77 55.326 -10.078 7.017 1.00 0.00 C ATOM 1172 O ALA A 77 55.801 -10.612 6.014 1.00 0.00 O ATOM 1173 CB ALA A 77 53.550 -11.521 7.993 1.00 0.00 C ATOM 0 H ALA A 77 53.951 -9.856 9.750 1.00 0.00 H new ATOM 0 HA ALA A 77 55.672 -11.701 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.575 -12.140 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 77 53.269 -12.134 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.819 -10.723 7.863 1.00 0.00 H new ATOM 1179 N ALA A 78 55.128 -8.766 7.112 1.00 0.00 N ATOM 1180 CA ALA A 78 55.470 -7.875 6.009 1.00 0.00 C ATOM 1181 C ALA A 78 56.963 -7.578 6.042 1.00 0.00 C ATOM 1182 O ALA A 78 57.622 -7.486 5.001 1.00 0.00 O ATOM 1183 CB ALA A 78 54.660 -6.575 6.110 1.00 0.00 C ATOM 0 H ALA A 78 54.737 -8.301 7.931 1.00 0.00 H new ATOM 0 HA ALA A 78 55.225 -8.358 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.923 -5.917 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.595 -6.805 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.885 -6.078 7.054 1.00 0.00 H new ATOM 1189 N VAL A 79 57.499 -7.472 7.250 1.00 0.00 N ATOM 1190 CA VAL A 79 58.919 -7.227 7.418 1.00 0.00 C ATOM 1191 C VAL A 79 59.665 -8.470 6.985 1.00 0.00 C ATOM 1192 O VAL A 79 60.637 -8.407 6.244 1.00 0.00 O ATOM 1193 CB VAL A 79 59.233 -6.923 8.892 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.945 -6.625 9.639 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.908 -8.134 9.535 1.00 0.00 C ATOM 0 H VAL A 79 56.974 -7.552 8.121 1.00 0.00 H new ATOM 0 HA VAL A 79 59.223 -6.370 6.816 1.00 0.00 H new ATOM 0 HB VAL A 79 59.897 -6.060 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.171 -6.410 10.683 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.455 -5.762 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.283 -7.489 9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.129 -7.915 10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.242 -8.995 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.835 -8.357 9.007 1.00 0.00 H new ATOM 1205 N ILE A 80 59.181 -9.601 7.475 1.00 0.00 N ATOM 1206 CA ILE A 80 59.769 -10.881 7.168 1.00 0.00 C ATOM 1207 C ILE A 80 59.972 -10.994 5.693 1.00 0.00 C ATOM 1208 O ILE A 80 61.095 -11.135 5.224 1.00 0.00 O ATOM 1209 CB ILE A 80 58.847 -11.963 7.696 1.00 0.00 C ATOM 1210 CG1 ILE A 80 59.044 -12.000 9.216 1.00 0.00 C ATOM 1211 CG2 ILE A 80 59.171 -13.319 7.049 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.825 -13.241 9.625 1.00 0.00 C ATOM 0 H ILE A 80 58.372 -9.650 8.094 1.00 0.00 H new ATOM 0 HA ILE A 80 60.745 -10.990 7.641 1.00 0.00 H new ATOM 0 HB ILE A 80 57.806 -11.751 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.576 -11.106 9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 80 58.074 -11.993 9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.497 -14.080 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 80 59.045 -13.246 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 80 60.201 -13.594 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.955 -13.249 10.707 1.00 0.00 H new ATOM 0 HD12 ILE A 80 59.278 -14.133 9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.802 -13.231 9.143 1.00 0.00 H new ATOM 1224 N ALA A 81 58.897 -10.875 4.952 1.00 0.00 N ATOM 1225 CA ALA A 81 59.028 -10.914 3.520 1.00 0.00 C ATOM 1226 C ALA A 81 60.170 -10.001 3.147 1.00 0.00 C ATOM 1227 O ALA A 81 60.813 -10.173 2.112 1.00 0.00 O ATOM 1228 CB ALA A 81 57.757 -10.432 2.850 1.00 0.00 C ATOM 0 H ALA A 81 57.948 -10.754 5.306 1.00 0.00 H new ATOM 0 HA ALA A 81 59.214 -11.936 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.879 -10.470 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.925 -11.072 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.551 -9.406 3.156 1.00 0.00 H new ATOM 1234 N LEU A 82 60.448 -9.040 4.034 1.00 0.00 N ATOM 1235 CA LEU A 82 61.547 -8.138 3.806 1.00 0.00 C ATOM 1236 C LEU A 82 62.789 -8.710 4.465 1.00 0.00 C ATOM 1237 O LEU A 82 63.863 -8.741 3.866 1.00 0.00 O ATOM 1238 CB LEU A 82 61.221 -6.751 4.355 1.00 0.00 C ATOM 1239 CG LEU A 82 61.649 -5.690 3.335 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.124 -5.899 2.960 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.769 -5.801 2.075 1.00 0.00 C ATOM 0 H LEU A 82 59.929 -8.880 4.897 1.00 0.00 H new ATOM 0 HA LEU A 82 61.725 -8.031 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.153 -6.669 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.737 -6.591 5.302 1.00 0.00 H new ATOM 0 HG LEU A 82 61.528 -4.699 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.426 -5.143 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.742 -5.812 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.252 -6.890 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.074 -5.046 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.884 -6.792 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.725 -5.643 2.345 1.00 0.00 H new ATOM 1253 N PHE A 83 62.629 -9.201 5.692 1.00 0.00 N ATOM 1254 CA PHE A 83 63.746 -9.804 6.381 1.00 0.00 C ATOM 1255 C PHE A 83 64.196 -10.996 5.564 1.00 0.00 C ATOM 1256 O PHE A 83 65.385 -11.291 5.450 1.00 0.00 O ATOM 1257 CB PHE A 83 63.368 -10.247 7.788 1.00 0.00 C ATOM 1258 CG PHE A 83 63.335 -9.077 8.743 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.169 -7.759 8.283 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.479 -9.323 10.111 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.149 -6.704 9.199 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.456 -8.270 11.018 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.293 -6.964 10.566 1.00 0.00 C ATOM 0 H PHE A 83 61.752 -9.190 6.213 1.00 0.00 H new ATOM 0 HA PHE A 83 64.548 -9.073 6.484 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.391 -10.731 7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 83 64.084 -10.988 8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.057 -7.563 7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.609 -10.335 10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.023 -5.689 8.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.565 -8.466 12.075 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.278 -6.148 11.273 1.00 0.00 H new ATOM 1273 N ASN A 84 63.210 -11.647 4.962 1.00 0.00 N ATOM 1274 CA ASN A 84 63.451 -12.782 4.103 1.00 0.00 C ATOM 1275 C ASN A 84 63.823 -12.255 2.742 1.00 0.00 C ATOM 1276 O ASN A 84 64.336 -12.965 1.877 1.00 0.00 O ATOM 1277 CB ASN A 84 62.173 -13.617 4.011 1.00 0.00 C ATOM 1278 CG ASN A 84 62.483 -15.103 4.161 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.299 -15.648 3.418 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.874 -15.792 5.087 1.00 0.00 N ATOM 0 H ASN A 84 62.226 -11.399 5.059 1.00 0.00 H new ATOM 0 HA ASN A 84 64.253 -13.408 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.474 -13.307 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.685 -13.438 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 84 62.074 -16.786 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 84 61.199 -15.336 5.701 1.00 0.00 H new ATOM 1287 N SER A 85 63.543 -10.982 2.593 1.00 0.00 N ATOM 1288 CA SER A 85 63.822 -10.270 1.350 1.00 0.00 C ATOM 1289 C SER A 85 63.150 -10.965 0.171 1.00 0.00 C ATOM 1290 O SER A 85 63.028 -10.340 -0.870 1.00 0.00 O ATOM 1291 CB SER A 85 65.331 -10.205 1.114 1.00 0.00 C ATOM 1292 OG SER A 85 65.579 -9.782 -0.220 1.00 0.00 O ATOM 1293 OXT SER A 85 62.766 -12.113 0.325 1.00 0.00 O ATOM 0 H SER A 85 63.118 -10.406 3.320 1.00 0.00 H new ATOM 0 HA SER A 85 63.424 -9.259 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.792 -9.513 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.780 -11.183 1.287 1.00 0.00 H new ATOM 0 HG SER A 85 64.734 -9.526 -0.644 1.00 0.00 H new