USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 855 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 72 THR OG1 : rot -91:sc= 0.0405 USER MOD Set 1.2: A 73 ASN : amide:sc= -0.637 K(o=-0.6,f=-1.3) USER MOD Single : A 1 MET CE :methyl -94:sc= -2.84! (180deg=-4.44!) USER MOD Single : A 1 MET N :NH3+ -105:sc= -2.6! (180deg=-4.07!) USER MOD Single : A 7 SER OG : rot 113:sc= 0.991 USER MOD Single : A 23 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.034) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.609 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -43:sc= 1.17 USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.607 USER MOD Single : A 47 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.0062) USER MOD Single : A 48 ASN : amide:sc= -12! C(o=-12!,f=-9.7!) USER MOD Single : A 51 THR OG1 : rot 40:sc= -0.612 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= -0.048 (180deg=-2.92!) USER MOD Single : A 57 GLN : amide:sc= -6.52! C(o=-6.5!,f=-3.7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 62 SER OG : rot -33:sc= -0.677 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= -0.162 (180deg=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.26 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -78:sc= 0.115 USER MOD Single : A 92 MET CE :methyl -167:sc= -0.158 (180deg=-0.594) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 81:sc= 1.29 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.2) USER MOD Single : A 104 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.786 -1.013 -0.870 1.00 71.24 N ATOM 2 CA MET A 1 -1.179 -1.131 -2.191 1.00 51.11 C ATOM 3 C MET A 1 -0.255 0.050 -2.472 1.00 22.42 C ATOM 4 O MET A 1 -0.195 0.551 -3.595 1.00 33.03 O ATOM 5 CB MET A 1 -2.262 -1.213 -3.268 1.00 54.33 C ATOM 6 CG MET A 1 -3.470 -2.039 -2.855 1.00 4.34 C ATOM 7 SD MET A 1 -3.030 -3.721 -2.377 1.00 4.33 S ATOM 8 CE MET A 1 -3.379 -3.676 -0.621 1.00 34.14 C ATOM 0 H1 MET A 1 -1.329 -1.681 -0.217 1.00 71.24 H new ATOM 0 H2 MET A 1 -1.661 -0.043 -0.516 1.00 71.24 H new ATOM 0 H3 MET A 1 -2.801 -1.231 -0.934 1.00 71.24 H new ATOM 0 HA MET A 1 -0.587 -2.046 -2.211 1.00 51.11 H new ATOM 0 HB2 MET A 1 -2.591 -0.204 -3.519 1.00 54.33 H new ATOM 0 HB3 MET A 1 -1.831 -1.642 -4.173 1.00 54.33 H new ATOM 0 HG2 MET A 1 -3.973 -1.548 -2.022 1.00 4.34 H new ATOM 0 HG3 MET A 1 -4.181 -2.074 -3.681 1.00 4.34 H new ATOM 0 HE1 MET A 1 -2.468 -3.432 -0.075 1.00 34.14 H new ATOM 0 HE2 MET A 1 -4.137 -2.919 -0.420 1.00 34.14 H new ATOM 0 HE3 MET A 1 -3.745 -4.650 -0.298 1.00 34.14 H new ATOM 18 N PHE A 2 0.465 0.489 -1.445 1.00 13.34 N ATOM 19 CA PHE A 2 1.385 1.612 -1.581 1.00 3.01 C ATOM 20 C PHE A 2 2.806 1.199 -1.209 1.00 21.52 C ATOM 21 O PHE A 2 3.755 1.466 -1.946 1.00 2.53 O ATOM 22 CB PHE A 2 0.934 2.779 -0.700 1.00 22.23 C ATOM 23 CG PHE A 2 -0.433 2.589 -0.107 1.00 61.03 C ATOM 24 CD1 PHE A 2 -1.542 2.444 -0.925 1.00 34.44 C ATOM 25 CD2 PHE A 2 -0.609 2.555 1.267 1.00 45.44 C ATOM 26 CE1 PHE A 2 -2.801 2.270 -0.382 1.00 35.41 C ATOM 27 CE2 PHE A 2 -1.865 2.381 1.815 1.00 13.31 C ATOM 28 CZ PHE A 2 -2.963 2.237 0.989 1.00 10.25 C ATOM 0 H PHE A 2 0.429 0.084 -0.509 1.00 13.34 H new ATOM 0 HA PHE A 2 1.379 1.930 -2.624 1.00 3.01 H new ATOM 0 HB2 PHE A 2 1.655 2.915 0.106 1.00 22.23 H new ATOM 0 HB3 PHE A 2 0.941 3.694 -1.292 1.00 22.23 H new ATOM 0 HD1 PHE A 2 -1.421 2.467 -1.998 1.00 34.44 H new ATOM 0 HD2 PHE A 2 0.246 2.666 1.917 1.00 45.44 H new ATOM 0 HE1 PHE A 2 -3.658 2.160 -1.030 1.00 35.41 H new ATOM 0 HE2 PHE A 2 -1.988 2.358 2.888 1.00 13.31 H new ATOM 0 HZ PHE A 2 -3.946 2.099 1.415 1.00 10.25 H new ATOM 38 N ASP A 3 2.944 0.545 -0.060 1.00 51.14 N ATOM 39 CA ASP A 3 4.248 0.094 0.411 1.00 61.43 C ATOM 40 C ASP A 3 4.141 -0.516 1.805 1.00 70.53 C ATOM 41 O ASP A 3 4.533 -1.663 2.023 1.00 63.22 O ATOM 42 CB ASP A 3 5.240 1.258 0.425 1.00 61.33 C ATOM 43 CG ASP A 3 6.398 1.043 -0.530 1.00 52.43 C ATOM 44 OD1 ASP A 3 6.180 0.436 -1.599 1.00 71.12 O ATOM 45 OD2 ASP A 3 7.522 1.482 -0.208 1.00 50.44 O ATOM 0 H ASP A 3 2.169 0.316 0.562 1.00 51.14 H new ATOM 0 HA ASP A 3 4.609 -0.672 -0.275 1.00 61.43 H new ATOM 0 HB2 ASP A 3 4.720 2.178 0.159 1.00 61.33 H new ATOM 0 HB3 ASP A 3 5.626 1.391 1.436 1.00 61.33 H new ATOM 50 N ILE A 4 3.609 0.258 2.744 1.00 34.54 N ATOM 51 CA ILE A 4 3.450 -0.207 4.117 1.00 63.01 C ATOM 52 C ILE A 4 4.804 -0.408 4.789 1.00 43.31 C ATOM 53 O ILE A 4 5.302 0.478 5.482 1.00 23.05 O ATOM 54 CB ILE A 4 2.659 -1.527 4.177 1.00 64.23 C ATOM 55 CG1 ILE A 4 1.344 -1.394 3.407 1.00 70.34 C ATOM 56 CG2 ILE A 4 2.396 -1.922 5.622 1.00 12.32 C ATOM 57 CD1 ILE A 4 0.499 -2.649 3.433 1.00 42.25 C ATOM 0 H ILE A 4 3.281 1.210 2.580 1.00 34.54 H new ATOM 0 HA ILE A 4 2.893 0.565 4.649 1.00 63.01 H new ATOM 0 HB ILE A 4 3.254 -2.312 3.710 1.00 64.23 H new ATOM 0 HG12 ILE A 4 0.768 -0.569 3.827 1.00 70.34 H new ATOM 0 HG13 ILE A 4 1.563 -1.135 2.371 1.00 70.34 H new ATOM 0 HG21 ILE A 4 1.836 -2.857 5.648 1.00 12.32 H new ATOM 0 HG22 ILE A 4 3.345 -2.053 6.142 1.00 12.32 H new ATOM 0 HG23 ILE A 4 1.818 -1.139 6.114 1.00 12.32 H new ATOM 0 HD11 ILE A 4 -0.418 -2.482 2.867 1.00 42.25 H new ATOM 0 HD12 ILE A 4 1.056 -3.472 2.986 1.00 42.25 H new ATOM 0 HD13 ILE A 4 0.249 -2.898 4.464 1.00 42.25 H new ATOM 69 N GLY A 5 5.397 -1.579 4.577 1.00 74.23 N ATOM 70 CA GLY A 5 6.689 -1.875 5.167 1.00 11.22 C ATOM 71 C GLY A 5 6.568 -2.500 6.543 1.00 62.43 C ATOM 72 O GLY A 5 7.352 -3.378 6.905 1.00 43.05 O ATOM 0 H GLY A 5 5.005 -2.328 4.007 1.00 74.23 H new ATOM 0 HA2 GLY A 5 7.238 -2.551 4.511 1.00 11.22 H new ATOM 0 HA3 GLY A 5 7.272 -0.956 5.238 1.00 11.22 H new ATOM 76 N PHE A 6 5.584 -2.047 7.313 1.00 65.52 N ATOM 77 CA PHE A 6 5.366 -2.567 8.658 1.00 55.33 C ATOM 78 C PHE A 6 4.211 -1.839 9.340 1.00 20.14 C ATOM 79 O PHE A 6 3.533 -2.399 10.201 1.00 34.14 O ATOM 80 CB PHE A 6 6.638 -2.426 9.495 1.00 3.12 C ATOM 81 CG PHE A 6 6.930 -1.012 9.909 1.00 45.24 C ATOM 82 CD1 PHE A 6 7.117 -0.022 8.957 1.00 74.22 C ATOM 83 CD2 PHE A 6 7.019 -0.672 11.249 1.00 75.01 C ATOM 84 CE1 PHE A 6 7.386 1.280 9.335 1.00 63.43 C ATOM 85 CE2 PHE A 6 7.288 0.628 11.633 1.00 54.31 C ATOM 86 CZ PHE A 6 7.471 1.605 10.674 1.00 13.53 C ATOM 0 H PHE A 6 4.926 -1.322 7.029 1.00 65.52 H new ATOM 0 HA PHE A 6 5.110 -3.623 8.576 1.00 55.33 H new ATOM 0 HB2 PHE A 6 6.547 -3.046 10.387 1.00 3.12 H new ATOM 0 HB3 PHE A 6 7.483 -2.811 8.924 1.00 3.12 H new ATOM 0 HD1 PHE A 6 7.052 -0.271 7.908 1.00 74.22 H new ATOM 0 HD2 PHE A 6 6.876 -1.432 12.003 1.00 75.01 H new ATOM 0 HE1 PHE A 6 7.530 2.042 8.584 1.00 63.43 H new ATOM 0 HE2 PHE A 6 7.355 0.880 12.681 1.00 54.31 H new ATOM 0 HZ PHE A 6 7.680 2.622 10.971 1.00 13.53 H new ATOM 96 N SER A 7 3.995 -0.587 8.950 1.00 72.13 N ATOM 97 CA SER A 7 2.926 0.220 9.526 1.00 32.23 C ATOM 98 C SER A 7 1.692 -0.633 9.807 1.00 63.13 C ATOM 99 O SER A 7 1.266 -0.768 10.953 1.00 12.31 O ATOM 100 CB SER A 7 2.562 1.370 8.585 1.00 35.50 C ATOM 101 OG SER A 7 2.356 0.901 7.264 1.00 54.14 O ATOM 0 H SER A 7 4.546 -0.109 8.237 1.00 72.13 H new ATOM 0 HA SER A 7 3.284 0.632 10.470 1.00 32.23 H new ATOM 0 HB2 SER A 7 1.660 1.866 8.943 1.00 35.50 H new ATOM 0 HB3 SER A 7 3.358 2.114 8.590 1.00 35.50 H new ATOM 0 HG SER A 7 1.412 1.006 7.023 1.00 54.14 H new ATOM 107 N GLU A 8 1.124 -1.207 8.750 1.00 5.34 N ATOM 108 CA GLU A 8 -0.061 -2.046 8.883 1.00 44.04 C ATOM 109 C GLU A 8 0.266 -3.335 9.632 1.00 41.34 C ATOM 110 O GLU A 8 -0.451 -3.731 10.551 1.00 12.24 O ATOM 111 CB GLU A 8 -0.635 -2.376 7.504 1.00 73.34 C ATOM 112 CG GLU A 8 -1.576 -1.311 6.965 1.00 65.21 C ATOM 113 CD GLU A 8 -0.921 -0.431 5.918 1.00 10.31 C ATOM 114 OE1 GLU A 8 0.012 0.320 6.272 1.00 30.33 O ATOM 115 OE2 GLU A 8 -1.342 -0.493 4.744 1.00 54.20 O ATOM 0 H GLU A 8 1.465 -1.106 7.794 1.00 5.34 H new ATOM 0 HA GLU A 8 -0.805 -1.493 9.456 1.00 44.04 H new ATOM 0 HB2 GLU A 8 0.187 -2.512 6.801 1.00 73.34 H new ATOM 0 HB3 GLU A 8 -1.168 -3.325 7.559 1.00 73.34 H new ATOM 0 HG2 GLU A 8 -2.454 -1.792 6.533 1.00 65.21 H new ATOM 0 HG3 GLU A 8 -1.926 -0.690 7.789 1.00 65.21 H new ATOM 122 N LEU A 9 1.353 -3.985 9.231 1.00 30.22 N ATOM 123 CA LEU A 9 1.776 -5.230 9.863 1.00 30.13 C ATOM 124 C LEU A 9 1.756 -5.103 11.383 1.00 31.32 C ATOM 125 O LEU A 9 1.003 -5.800 12.065 1.00 11.22 O ATOM 126 CB LEU A 9 3.179 -5.614 9.391 1.00 43.14 C ATOM 127 CG LEU A 9 3.484 -7.111 9.340 1.00 24.44 C ATOM 128 CD1 LEU A 9 2.489 -7.829 8.443 1.00 72.25 C ATOM 129 CD2 LEU A 9 4.908 -7.350 8.859 1.00 41.34 C ATOM 0 H LEU A 9 1.957 -3.671 8.472 1.00 30.22 H new ATOM 0 HA LEU A 9 1.075 -6.012 9.572 1.00 30.13 H new ATOM 0 HB2 LEU A 9 3.332 -5.198 8.395 1.00 43.14 H new ATOM 0 HB3 LEU A 9 3.905 -5.138 10.050 1.00 43.14 H new ATOM 0 HG LEU A 9 3.390 -7.515 10.348 1.00 24.44 H new ATOM 0 HD11 LEU A 9 2.723 -8.893 8.419 1.00 72.25 H new ATOM 0 HD12 LEU A 9 1.481 -7.687 8.832 1.00 72.25 H new ATOM 0 HD13 LEU A 9 2.549 -7.422 7.434 1.00 72.25 H new ATOM 0 HD21 LEU A 9 5.107 -8.421 8.829 1.00 41.34 H new ATOM 0 HD22 LEU A 9 5.030 -6.930 7.860 1.00 41.34 H new ATOM 0 HD23 LEU A 9 5.608 -6.870 9.542 1.00 41.34 H new ATOM 141 N LEU A 10 2.586 -4.209 11.908 1.00 41.20 N ATOM 142 CA LEU A 10 2.662 -3.988 13.348 1.00 25.30 C ATOM 143 C LEU A 10 1.297 -3.614 13.915 1.00 73.32 C ATOM 144 O LEU A 10 0.819 -4.229 14.870 1.00 44.32 O ATOM 145 CB LEU A 10 3.677 -2.887 13.662 1.00 34.11 C ATOM 146 CG LEU A 10 5.127 -3.340 13.836 1.00 52.25 C ATOM 147 CD1 LEU A 10 5.293 -4.114 15.134 1.00 53.01 C ATOM 148 CD2 LEU A 10 5.567 -4.184 12.649 1.00 64.32 C ATOM 0 H LEU A 10 3.216 -3.625 11.358 1.00 41.20 H new ATOM 0 HA LEU A 10 2.986 -4.917 13.816 1.00 25.30 H new ATOM 0 HB2 LEU A 10 3.642 -2.149 12.861 1.00 34.11 H new ATOM 0 HB3 LEU A 10 3.363 -2.381 14.575 1.00 34.11 H new ATOM 0 HG LEU A 10 5.761 -2.455 13.882 1.00 52.25 H new ATOM 0 HD11 LEU A 10 6.331 -4.428 15.240 1.00 53.01 H new ATOM 0 HD12 LEU A 10 5.019 -3.477 15.975 1.00 53.01 H new ATOM 0 HD13 LEU A 10 4.648 -4.993 15.119 1.00 53.01 H new ATOM 0 HD21 LEU A 10 6.601 -4.498 12.789 1.00 64.32 H new ATOM 0 HD22 LEU A 10 4.928 -5.064 12.571 1.00 64.32 H new ATOM 0 HD23 LEU A 10 5.487 -3.596 11.735 1.00 64.32 H new ATOM 160 N LEU A 11 0.671 -2.605 13.320 1.00 43.35 N ATOM 161 CA LEU A 11 -0.642 -2.150 13.763 1.00 2.34 C ATOM 162 C LEU A 11 -1.593 -3.328 13.948 1.00 4.03 C ATOM 163 O LEU A 11 -2.052 -3.601 15.058 1.00 43.34 O ATOM 164 CB LEU A 11 -1.228 -1.160 12.755 1.00 30.00 C ATOM 165 CG LEU A 11 -2.673 -0.725 13.003 1.00 21.43 C ATOM 166 CD1 LEU A 11 -2.742 0.769 13.274 1.00 4.42 C ATOM 167 CD2 LEU A 11 -3.552 -1.096 11.818 1.00 54.51 C ATOM 0 H LEU A 11 1.052 -2.086 12.529 1.00 43.35 H new ATOM 0 HA LEU A 11 -0.520 -1.651 14.724 1.00 2.34 H new ATOM 0 HB2 LEU A 11 -0.599 -0.270 12.743 1.00 30.00 H new ATOM 0 HB3 LEU A 11 -1.169 -1.606 11.762 1.00 30.00 H new ATOM 0 HG LEU A 11 -3.044 -1.250 13.883 1.00 21.43 H new ATOM 0 HD11 LEU A 11 -3.778 1.060 13.448 1.00 4.42 H new ATOM 0 HD12 LEU A 11 -2.145 1.007 14.155 1.00 4.42 H new ATOM 0 HD13 LEU A 11 -2.352 1.313 12.414 1.00 4.42 H new ATOM 0 HD21 LEU A 11 -4.577 -0.779 12.012 1.00 54.51 H new ATOM 0 HD22 LEU A 11 -3.182 -0.599 10.921 1.00 54.51 H new ATOM 0 HD23 LEU A 11 -3.528 -2.176 11.671 1.00 54.51 H new ATOM 179 N VAL A 12 -1.883 -4.025 12.854 1.00 23.13 N ATOM 180 CA VAL A 12 -2.776 -5.177 12.896 1.00 10.40 C ATOM 181 C VAL A 12 -2.392 -6.129 14.023 1.00 73.44 C ATOM 182 O VAL A 12 -3.245 -6.574 14.792 1.00 43.31 O ATOM 183 CB VAL A 12 -2.763 -5.946 11.562 1.00 52.45 C ATOM 184 CG1 VAL A 12 -3.670 -7.165 11.639 1.00 42.43 C ATOM 185 CG2 VAL A 12 -3.179 -5.033 10.417 1.00 30.34 C ATOM 0 H VAL A 12 -1.513 -3.812 11.928 1.00 23.13 H new ATOM 0 HA VAL A 12 -3.780 -4.793 13.075 1.00 10.40 H new ATOM 0 HB VAL A 12 -1.747 -6.291 11.371 1.00 52.45 H new ATOM 0 HG11 VAL A 12 -3.648 -7.696 10.687 1.00 42.43 H new ATOM 0 HG12 VAL A 12 -3.323 -7.827 12.432 1.00 42.43 H new ATOM 0 HG13 VAL A 12 -4.690 -6.846 11.853 1.00 42.43 H new ATOM 0 HG21 VAL A 12 -3.164 -5.593 9.482 1.00 30.34 H new ATOM 0 HG22 VAL A 12 -4.186 -4.657 10.599 1.00 30.34 H new ATOM 0 HG23 VAL A 12 -2.485 -4.195 10.349 1.00 30.34 H new ATOM 195 N PHE A 13 -1.103 -6.439 14.115 1.00 73.23 N ATOM 196 CA PHE A 13 -0.605 -7.340 15.148 1.00 75.23 C ATOM 197 C PHE A 13 -0.979 -6.834 16.538 1.00 54.44 C ATOM 198 O PHE A 13 -1.243 -7.621 17.447 1.00 62.33 O ATOM 199 CB PHE A 13 0.914 -7.487 15.038 1.00 54.15 C ATOM 200 CG PHE A 13 1.501 -8.421 16.056 1.00 20.14 C ATOM 201 CD1 PHE A 13 1.040 -9.723 16.169 1.00 2.11 C ATOM 202 CD2 PHE A 13 2.514 -7.998 16.901 1.00 4.31 C ATOM 203 CE1 PHE A 13 1.579 -10.584 17.106 1.00 35.24 C ATOM 204 CE2 PHE A 13 3.057 -8.855 17.840 1.00 0.41 C ATOM 205 CZ PHE A 13 2.589 -10.150 17.942 1.00 0.00 C ATOM 0 H PHE A 13 -0.384 -6.080 13.487 1.00 73.23 H new ATOM 0 HA PHE A 13 -1.069 -8.315 14.999 1.00 75.23 H new ATOM 0 HB2 PHE A 13 1.165 -7.846 14.040 1.00 54.15 H new ATOM 0 HB3 PHE A 13 1.375 -6.505 15.149 1.00 54.15 H new ATOM 0 HD1 PHE A 13 0.251 -10.069 15.518 1.00 2.11 H new ATOM 0 HD2 PHE A 13 2.884 -6.986 16.825 1.00 4.31 H new ATOM 0 HE1 PHE A 13 1.210 -11.596 17.185 1.00 35.24 H new ATOM 0 HE2 PHE A 13 3.846 -8.512 18.493 1.00 0.41 H new ATOM 0 HZ PHE A 13 3.012 -10.822 18.674 1.00 0.00 H new ATOM 215 N ILE A 14 -1.000 -5.514 16.694 1.00 24.31 N ATOM 216 CA ILE A 14 -1.341 -4.902 17.972 1.00 33.31 C ATOM 217 C ILE A 14 -2.850 -4.896 18.192 1.00 12.44 C ATOM 218 O ILE A 14 -3.341 -5.388 19.209 1.00 55.34 O ATOM 219 CB ILE A 14 -0.814 -3.458 18.064 1.00 70.23 C ATOM 220 CG1 ILE A 14 0.715 -3.445 17.997 1.00 35.15 C ATOM 221 CG2 ILE A 14 -1.300 -2.797 19.345 1.00 22.20 C ATOM 222 CD1 ILE A 14 1.377 -4.099 19.190 1.00 33.00 C ATOM 0 H ILE A 14 -0.785 -4.849 15.951 1.00 24.31 H new ATOM 0 HA ILE A 14 -0.865 -5.503 18.747 1.00 33.31 H new ATOM 0 HB ILE A 14 -1.201 -2.891 17.217 1.00 70.23 H new ATOM 0 HG12 ILE A 14 1.035 -3.955 17.089 1.00 35.15 H new ATOM 0 HG13 ILE A 14 1.059 -2.413 17.921 1.00 35.15 H new ATOM 0 HG21 ILE A 14 -0.919 -1.777 19.395 1.00 22.20 H new ATOM 0 HG22 ILE A 14 -2.390 -2.778 19.354 1.00 22.20 H new ATOM 0 HG23 ILE A 14 -0.940 -3.362 20.205 1.00 22.20 H new ATOM 0 HD11 ILE A 14 2.460 -4.054 19.075 1.00 33.00 H new ATOM 0 HD12 ILE A 14 1.086 -3.575 20.100 1.00 33.00 H new ATOM 0 HD13 ILE A 14 1.062 -5.141 19.255 1.00 33.00 H new ATOM 234 N ILE A 15 -3.580 -4.336 17.233 1.00 31.41 N ATOM 235 CA ILE A 15 -5.033 -4.269 17.321 1.00 54.40 C ATOM 236 C ILE A 15 -5.631 -5.641 17.613 1.00 11.35 C ATOM 237 O ILE A 15 -6.678 -5.750 18.251 1.00 62.44 O ATOM 238 CB ILE A 15 -5.651 -3.718 16.022 1.00 61.53 C ATOM 239 CG1 ILE A 15 -5.021 -2.371 15.663 1.00 53.03 C ATOM 240 CG2 ILE A 15 -7.159 -3.582 16.168 1.00 31.33 C ATOM 241 CD1 ILE A 15 -5.049 -1.370 16.796 1.00 13.23 C ATOM 0 H ILE A 15 -3.189 -3.922 16.387 1.00 31.41 H new ATOM 0 HA ILE A 15 -5.268 -3.591 18.142 1.00 54.40 H new ATOM 0 HB ILE A 15 -5.446 -4.420 15.214 1.00 61.53 H new ATOM 0 HG12 ILE A 15 -3.987 -2.533 15.357 1.00 53.03 H new ATOM 0 HG13 ILE A 15 -5.545 -1.951 14.805 1.00 53.03 H new ATOM 0 HG21 ILE A 15 -7.580 -3.191 15.242 1.00 31.33 H new ATOM 0 HG22 ILE A 15 -7.593 -4.559 16.381 1.00 31.33 H new ATOM 0 HG23 ILE A 15 -7.385 -2.898 16.986 1.00 31.33 H new ATOM 0 HD11 ILE A 15 -4.586 -0.439 16.470 1.00 13.23 H new ATOM 0 HD12 ILE A 15 -6.082 -1.179 17.087 1.00 13.23 H new ATOM 0 HD13 ILE A 15 -4.499 -1.770 17.648 1.00 13.23 H new ATOM 253 N GLY A 16 -4.957 -6.686 17.144 1.00 21.33 N ATOM 254 CA GLY A 16 -5.435 -8.038 17.367 1.00 74.10 C ATOM 255 C GLY A 16 -5.459 -8.410 18.836 1.00 20.22 C ATOM 256 O GLY A 16 -6.358 -9.119 19.291 1.00 60.14 O ATOM 0 H GLY A 16 -4.088 -6.621 16.613 1.00 21.33 H new ATOM 0 HA2 GLY A 16 -6.439 -8.138 16.954 1.00 74.10 H new ATOM 0 HA3 GLY A 16 -4.797 -8.739 16.828 1.00 74.10 H new ATOM 260 N LEU A 17 -4.468 -7.933 19.581 1.00 32.15 N ATOM 261 CA LEU A 17 -4.377 -8.221 21.009 1.00 74.03 C ATOM 262 C LEU A 17 -5.258 -7.271 21.813 1.00 14.41 C ATOM 263 O LEU A 17 -5.908 -7.676 22.777 1.00 55.31 O ATOM 264 CB LEU A 17 -2.926 -8.111 21.480 1.00 72.31 C ATOM 265 CG LEU A 17 -1.864 -8.622 20.506 1.00 62.02 C ATOM 266 CD1 LEU A 17 -0.472 -8.444 21.092 1.00 11.43 C ATOM 267 CD2 LEU A 17 -2.116 -10.082 20.160 1.00 64.32 C ATOM 0 H LEU A 17 -3.716 -7.345 19.221 1.00 32.15 H new ATOM 0 HA LEU A 17 -4.729 -9.240 21.172 1.00 74.03 H new ATOM 0 HB2 LEU A 17 -2.715 -7.065 21.700 1.00 72.31 H new ATOM 0 HB3 LEU A 17 -2.826 -8.660 22.416 1.00 72.31 H new ATOM 0 HG LEU A 17 -1.928 -8.036 19.589 1.00 62.02 H new ATOM 0 HD11 LEU A 17 0.271 -8.813 20.385 1.00 11.43 H new ATOM 0 HD12 LEU A 17 -0.292 -7.387 21.288 1.00 11.43 H new ATOM 0 HD13 LEU A 17 -0.395 -9.004 22.024 1.00 11.43 H new ATOM 0 HD21 LEU A 17 -1.351 -10.429 19.466 1.00 64.32 H new ATOM 0 HD22 LEU A 17 -2.081 -10.683 21.069 1.00 64.32 H new ATOM 0 HD23 LEU A 17 -3.098 -10.182 19.697 1.00 64.32 H new ATOM 279 N VAL A 18 -5.277 -6.004 21.409 1.00 22.33 N ATOM 280 CA VAL A 18 -6.081 -4.996 22.090 1.00 23.31 C ATOM 281 C VAL A 18 -7.568 -5.216 21.837 1.00 62.41 C ATOM 282 O VAL A 18 -8.413 -4.773 22.614 1.00 53.20 O ATOM 283 CB VAL A 18 -5.699 -3.574 21.638 1.00 70.45 C ATOM 284 CG1 VAL A 18 -4.194 -3.459 21.450 1.00 21.40 C ATOM 285 CG2 VAL A 18 -6.434 -3.208 20.357 1.00 64.22 C ATOM 0 H VAL A 18 -4.745 -5.652 20.613 1.00 22.33 H new ATOM 0 HA VAL A 18 -5.878 -5.097 23.156 1.00 23.31 H new ATOM 0 HB VAL A 18 -5.998 -2.871 22.416 1.00 70.45 H new ATOM 0 HG11 VAL A 18 -3.943 -2.447 21.131 1.00 21.40 H new ATOM 0 HG12 VAL A 18 -3.692 -3.677 22.393 1.00 21.40 H new ATOM 0 HG13 VAL A 18 -3.867 -4.170 20.692 1.00 21.40 H new ATOM 0 HG21 VAL A 18 -6.153 -2.200 20.051 1.00 64.22 H new ATOM 0 HG22 VAL A 18 -6.167 -3.914 19.570 1.00 64.22 H new ATOM 0 HG23 VAL A 18 -7.509 -3.248 20.531 1.00 64.22 H new ATOM 295 N VAL A 19 -7.881 -5.905 20.744 1.00 61.30 N ATOM 296 CA VAL A 19 -9.267 -6.186 20.388 1.00 24.52 C ATOM 297 C VAL A 19 -9.684 -7.575 20.858 1.00 23.43 C ATOM 298 O VAL A 19 -10.691 -7.732 21.550 1.00 23.51 O ATOM 299 CB VAL A 19 -9.488 -6.083 18.867 1.00 24.34 C ATOM 300 CG1 VAL A 19 -10.866 -6.605 18.491 1.00 20.34 C ATOM 301 CG2 VAL A 19 -9.306 -4.647 18.399 1.00 32.33 C ATOM 0 H VAL A 19 -7.193 -6.279 20.090 1.00 61.30 H new ATOM 0 HA VAL A 19 -9.880 -5.437 20.888 1.00 24.52 H new ATOM 0 HB VAL A 19 -8.743 -6.701 18.366 1.00 24.34 H new ATOM 0 HG11 VAL A 19 -11.004 -6.524 17.413 1.00 20.34 H new ATOM 0 HG12 VAL A 19 -10.954 -7.649 18.791 1.00 20.34 H new ATOM 0 HG13 VAL A 19 -11.629 -6.016 19.000 1.00 20.34 H new ATOM 0 HG21 VAL A 19 -9.466 -4.592 17.322 1.00 32.33 H new ATOM 0 HG22 VAL A 19 -10.027 -4.005 18.906 1.00 32.33 H new ATOM 0 HG23 VAL A 19 -8.295 -4.313 18.633 1.00 32.33 H new ATOM 311 N LEU A 20 -8.903 -8.581 20.479 1.00 32.31 N ATOM 312 CA LEU A 20 -9.191 -9.959 20.862 1.00 24.23 C ATOM 313 C LEU A 20 -8.744 -10.231 22.295 1.00 5.52 C ATOM 314 O LEU A 20 -8.943 -11.324 22.822 1.00 60.21 O ATOM 315 CB LEU A 20 -8.496 -10.931 19.907 1.00 42.35 C ATOM 316 CG LEU A 20 -9.088 -12.339 19.833 1.00 3.40 C ATOM 317 CD1 LEU A 20 -10.607 -12.280 19.848 1.00 33.30 C ATOM 318 CD2 LEU A 20 -8.592 -13.061 18.589 1.00 72.21 C ATOM 0 H LEU A 20 -8.066 -8.468 19.907 1.00 32.31 H new ATOM 0 HA LEU A 20 -10.269 -10.108 20.802 1.00 24.23 H new ATOM 0 HB2 LEU A 20 -8.512 -10.499 18.906 1.00 42.35 H new ATOM 0 HB3 LEU A 20 -7.450 -11.014 20.202 1.00 42.35 H new ATOM 0 HG LEU A 20 -8.758 -12.898 20.709 1.00 3.40 H new ATOM 0 HD11 LEU A 20 -11.011 -13.291 19.795 1.00 33.30 H new ATOM 0 HD12 LEU A 20 -10.944 -11.803 20.768 1.00 33.30 H new ATOM 0 HD13 LEU A 20 -10.957 -11.704 18.992 1.00 33.30 H new ATOM 0 HD21 LEU A 20 -9.023 -14.061 18.553 1.00 72.21 H new ATOM 0 HD22 LEU A 20 -8.892 -12.504 17.701 1.00 72.21 H new ATOM 0 HD23 LEU A 20 -7.505 -13.136 18.621 1.00 72.21 H new ATOM 330 N GLY A 21 -8.139 -9.225 22.922 1.00 71.44 N ATOM 331 CA GLY A 21 -7.675 -9.375 24.289 1.00 53.04 C ATOM 332 C GLY A 21 -6.546 -10.379 24.411 1.00 35.21 C ATOM 333 O GLY A 21 -6.602 -11.479 23.860 1.00 54.43 O ATOM 0 H GLY A 21 -7.962 -8.310 22.507 1.00 71.44 H new ATOM 0 HA2 GLY A 21 -7.339 -8.408 24.664 1.00 53.04 H new ATOM 0 HA3 GLY A 21 -8.507 -9.690 24.919 1.00 53.04 H new ATOM 337 N PRO A 22 -5.491 -10.002 25.148 1.00 32.12 N ATOM 338 CA PRO A 22 -4.324 -10.863 25.358 1.00 65.35 C ATOM 339 C PRO A 22 -4.639 -12.062 26.245 1.00 32.33 C ATOM 340 O PRO A 22 -3.778 -12.906 26.492 1.00 73.41 O ATOM 341 CB PRO A 22 -3.319 -9.937 26.047 1.00 22.12 C ATOM 342 CG PRO A 22 -4.155 -8.902 26.717 1.00 33.30 C ATOM 343 CD PRO A 22 -5.357 -8.706 25.834 1.00 21.24 C ATOM 0 HA PRO A 22 -3.960 -11.290 24.424 1.00 65.35 H new ATOM 0 HB2 PRO A 22 -2.709 -10.481 26.768 1.00 22.12 H new ATOM 0 HB3 PRO A 22 -2.636 -9.488 25.326 1.00 22.12 H new ATOM 0 HG2 PRO A 22 -4.452 -9.226 27.714 1.00 33.30 H new ATOM 0 HG3 PRO A 22 -3.602 -7.970 26.836 1.00 33.30 H new ATOM 0 HD2 PRO A 22 -6.247 -8.465 26.415 1.00 21.24 H new ATOM 0 HD3 PRO A 22 -5.207 -7.890 25.127 1.00 21.24 H new ATOM 351 N GLN A 23 -5.878 -12.130 26.722 1.00 72.24 N ATOM 352 CA GLN A 23 -6.306 -13.227 27.582 1.00 11.44 C ATOM 353 C GLN A 23 -6.273 -14.553 26.831 1.00 72.31 C ATOM 354 O GLN A 23 -5.887 -15.582 27.385 1.00 21.43 O ATOM 355 CB GLN A 23 -7.715 -12.964 28.116 1.00 54.11 C ATOM 356 CG GLN A 23 -7.910 -11.555 28.654 1.00 25.50 C ATOM 357 CD GLN A 23 -8.467 -11.541 30.064 1.00 41.03 C ATOM 358 OE1 GLN A 23 -7.984 -10.808 30.927 1.00 10.21 O ATOM 359 NE2 GLN A 23 -9.490 -12.353 30.305 1.00 65.14 N ATOM 0 H GLN A 23 -6.602 -11.439 26.528 1.00 72.24 H new ATOM 0 HA GLN A 23 -5.613 -13.289 28.421 1.00 11.44 H new ATOM 0 HB2 GLN A 23 -8.436 -13.142 27.318 1.00 54.11 H new ATOM 0 HB3 GLN A 23 -7.933 -13.680 28.908 1.00 54.11 H new ATOM 0 HG2 GLN A 23 -6.955 -11.029 28.639 1.00 25.50 H new ATOM 0 HG3 GLN A 23 -8.585 -11.009 27.995 1.00 25.50 H new ATOM 0 HE21 GLN A 23 -9.859 -12.944 29.560 1.00 65.14 H new ATOM 0 HE22 GLN A 23 -9.907 -12.386 31.235 1.00 65.14 H new ATOM 368 N ARG A 24 -6.681 -14.522 25.566 1.00 12.34 N ATOM 369 CA ARG A 24 -6.700 -15.722 24.739 1.00 22.35 C ATOM 370 C ARG A 24 -6.081 -15.450 23.371 1.00 12.25 C ATOM 371 O ARG A 24 -6.664 -15.780 22.338 1.00 62.53 O ATOM 372 CB ARG A 24 -8.133 -16.229 24.571 1.00 34.10 C ATOM 373 CG ARG A 24 -9.149 -15.120 24.350 1.00 34.43 C ATOM 374 CD ARG A 24 -9.222 -14.715 22.886 1.00 33.04 C ATOM 375 NE ARG A 24 -10.289 -13.749 22.638 1.00 34.25 N ATOM 376 CZ ARG A 24 -11.582 -14.050 22.698 1.00 23.43 C ATOM 377 NH1 ARG A 24 -11.965 -15.284 22.997 1.00 72.03 N ATOM 378 NH2 ARG A 24 -12.494 -13.116 22.460 1.00 64.41 N ATOM 0 H ARG A 24 -7.003 -13.678 25.092 1.00 12.34 H new ATOM 0 HA ARG A 24 -6.108 -16.487 25.240 1.00 22.35 H new ATOM 0 HB2 ARG A 24 -8.169 -16.917 23.727 1.00 34.10 H new ATOM 0 HB3 ARG A 24 -8.415 -16.797 25.458 1.00 34.10 H new ATOM 0 HG2 ARG A 24 -10.131 -15.453 24.686 1.00 34.43 H new ATOM 0 HG3 ARG A 24 -8.881 -14.254 24.955 1.00 34.43 H new ATOM 0 HD2 ARG A 24 -8.267 -14.287 22.580 1.00 33.04 H new ATOM 0 HD3 ARG A 24 -9.385 -15.601 22.272 1.00 33.04 H new ATOM 0 HE ARG A 24 -10.027 -12.791 22.406 1.00 34.25 H new ATOM 0 HH11 ARG A 24 -11.267 -16.004 23.181 1.00 72.03 H new ATOM 0 HH12 ARG A 24 -12.958 -15.513 23.043 1.00 72.03 H new ATOM 0 HH21 ARG A 24 -12.203 -12.166 22.231 1.00 64.41 H new ATOM 0 HH22 ARG A 24 -13.486 -13.348 22.506 1.00 64.41 H new ATOM 392 N LEU A 25 -4.899 -14.845 23.373 1.00 44.22 N ATOM 393 CA LEU A 25 -4.200 -14.527 22.132 1.00 74.01 C ATOM 394 C LEU A 25 -3.650 -15.790 21.478 1.00 61.30 C ATOM 395 O LEU A 25 -3.911 -16.079 20.310 1.00 51.51 O ATOM 396 CB LEU A 25 -3.062 -13.541 22.402 1.00 33.41 C ATOM 397 CG LEU A 25 -2.057 -13.350 21.266 1.00 3.53 C ATOM 398 CD1 LEU A 25 -0.945 -14.384 21.357 1.00 55.22 C ATOM 399 CD2 LEU A 25 -2.755 -13.431 19.917 1.00 42.35 C ATOM 0 H LEU A 25 -4.404 -14.565 24.220 1.00 44.22 H new ATOM 0 HA LEU A 25 -4.915 -14.068 21.449 1.00 74.01 H new ATOM 0 HB2 LEU A 25 -3.498 -12.571 22.642 1.00 33.41 H new ATOM 0 HB3 LEU A 25 -2.521 -13.875 23.287 1.00 33.41 H new ATOM 0 HG LEU A 25 -1.612 -12.360 21.363 1.00 3.53 H new ATOM 0 HD11 LEU A 25 -0.239 -14.232 20.540 1.00 55.22 H new ATOM 0 HD12 LEU A 25 -0.426 -14.277 22.310 1.00 55.22 H new ATOM 0 HD13 LEU A 25 -1.372 -15.384 21.287 1.00 55.22 H new ATOM 0 HD21 LEU A 25 -2.024 -13.293 19.120 1.00 42.35 H new ATOM 0 HD22 LEU A 25 -3.228 -14.407 19.810 1.00 42.35 H new ATOM 0 HD23 LEU A 25 -3.514 -12.651 19.853 1.00 42.35 H new ATOM 411 N PRO A 26 -2.871 -16.564 22.248 1.00 22.21 N ATOM 412 CA PRO A 26 -2.269 -17.811 21.766 1.00 75.04 C ATOM 413 C PRO A 26 -3.306 -18.907 21.543 1.00 14.34 C ATOM 414 O PRO A 26 -2.990 -19.979 21.029 1.00 74.45 O ATOM 415 CB PRO A 26 -1.311 -18.202 22.893 1.00 32.43 C ATOM 416 CG PRO A 26 -1.880 -17.563 24.113 1.00 41.23 C ATOM 417 CD PRO A 26 -2.517 -16.282 23.650 1.00 74.15 C ATOM 0 HA PRO A 26 -1.781 -17.681 20.800 1.00 75.04 H new ATOM 0 HB2 PRO A 26 -1.252 -19.285 23.004 1.00 32.43 H new ATOM 0 HB3 PRO A 26 -0.300 -17.846 22.695 1.00 32.43 H new ATOM 0 HG2 PRO A 26 -2.614 -18.214 24.589 1.00 41.23 H new ATOM 0 HG3 PRO A 26 -1.102 -17.368 24.850 1.00 41.23 H new ATOM 0 HD2 PRO A 26 -3.396 -16.033 24.244 1.00 74.15 H new ATOM 0 HD3 PRO A 26 -1.830 -15.440 23.729 1.00 74.15 H new ATOM 425 N VAL A 27 -4.546 -18.630 21.935 1.00 53.14 N ATOM 426 CA VAL A 27 -5.631 -19.592 21.777 1.00 44.24 C ATOM 427 C VAL A 27 -5.916 -19.861 20.303 1.00 20.14 C ATOM 428 O VAL A 27 -6.023 -21.012 19.882 1.00 63.23 O ATOM 429 CB VAL A 27 -6.922 -19.099 22.457 1.00 43.04 C ATOM 430 CG1 VAL A 27 -8.093 -19.998 22.094 1.00 74.35 C ATOM 431 CG2 VAL A 27 -6.737 -19.033 23.965 1.00 30.12 C ATOM 0 H VAL A 27 -4.824 -17.747 22.364 1.00 53.14 H new ATOM 0 HA VAL A 27 -5.307 -20.516 22.256 1.00 44.24 H new ATOM 0 HB VAL A 27 -7.142 -18.094 22.097 1.00 43.04 H new ATOM 0 HG11 VAL A 27 -8.996 -19.634 22.584 1.00 74.35 H new ATOM 0 HG12 VAL A 27 -8.237 -19.989 21.014 1.00 74.35 H new ATOM 0 HG13 VAL A 27 -7.886 -21.016 22.424 1.00 74.35 H new ATOM 0 HG21 VAL A 27 -7.659 -18.683 24.430 1.00 30.12 H new ATOM 0 HG22 VAL A 27 -6.493 -20.025 24.345 1.00 30.12 H new ATOM 0 HG23 VAL A 27 -5.926 -18.344 24.202 1.00 30.12 H new ATOM 441 N ALA A 28 -6.038 -18.791 19.525 1.00 51.11 N ATOM 442 CA ALA A 28 -6.309 -18.911 18.098 1.00 64.53 C ATOM 443 C ALA A 28 -5.161 -19.612 17.379 1.00 61.24 C ATOM 444 O ALA A 28 -5.369 -20.594 16.666 1.00 62.22 O ATOM 445 CB ALA A 28 -6.555 -17.539 17.489 1.00 13.25 C ATOM 0 H ALA A 28 -5.953 -17.831 19.859 1.00 51.11 H new ATOM 0 HA ALA A 28 -7.206 -19.517 17.974 1.00 64.53 H new ATOM 0 HB1 ALA A 28 -6.756 -17.645 16.423 1.00 13.25 H new ATOM 0 HB2 ALA A 28 -7.412 -17.073 17.975 1.00 13.25 H new ATOM 0 HB3 ALA A 28 -5.673 -16.914 17.632 1.00 13.25 H new ATOM 451 N VAL A 29 -3.949 -19.101 17.570 1.00 42.03 N ATOM 452 CA VAL A 29 -2.767 -19.678 16.940 1.00 75.25 C ATOM 453 C VAL A 29 -2.648 -21.165 17.254 1.00 72.22 C ATOM 454 O VAL A 29 -2.551 -21.997 16.351 1.00 53.52 O ATOM 455 CB VAL A 29 -1.482 -18.963 17.396 1.00 22.41 C ATOM 456 CG1 VAL A 29 -0.281 -19.473 16.614 1.00 1.00 C ATOM 457 CG2 VAL A 29 -1.628 -17.457 17.244 1.00 44.13 C ATOM 0 H VAL A 29 -3.760 -18.288 18.156 1.00 42.03 H new ATOM 0 HA VAL A 29 -2.885 -19.545 15.865 1.00 75.25 H new ATOM 0 HB VAL A 29 -1.318 -19.184 18.451 1.00 22.41 H new ATOM 0 HG11 VAL A 29 0.618 -18.956 16.950 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -0.167 -20.544 16.780 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -0.432 -19.284 15.551 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.711 -16.968 17.571 1.00 44.13 H new ATOM 0 HG22 VAL A 29 -1.816 -17.213 16.198 1.00 44.13 H new ATOM 0 HG23 VAL A 29 -2.462 -17.109 17.854 1.00 44.13 H new ATOM 467 N LYS A 30 -2.656 -21.495 18.541 1.00 12.30 N ATOM 468 CA LYS A 30 -2.551 -22.882 18.977 1.00 62.11 C ATOM 469 C LYS A 30 -3.633 -23.740 18.329 1.00 41.33 C ATOM 470 O LYS A 30 -3.354 -24.818 17.803 1.00 20.13 O ATOM 471 CB LYS A 30 -2.661 -22.969 20.501 1.00 62.22 C ATOM 472 CG LYS A 30 -1.447 -22.421 21.231 1.00 41.54 C ATOM 473 CD LYS A 30 -0.517 -23.534 21.682 1.00 33.43 C ATOM 474 CE LYS A 30 0.918 -23.047 21.804 1.00 24.02 C ATOM 475 NZ LYS A 30 1.896 -24.164 21.682 1.00 75.05 N ATOM 0 H LYS A 30 -2.734 -20.819 19.301 1.00 12.30 H new ATOM 0 HA LYS A 30 -1.577 -23.261 18.667 1.00 62.11 H new ATOM 0 HB2 LYS A 30 -3.547 -22.422 20.825 1.00 62.22 H new ATOM 0 HB3 LYS A 30 -2.807 -24.010 20.787 1.00 62.22 H new ATOM 0 HG2 LYS A 30 -0.906 -21.737 20.577 1.00 41.54 H new ATOM 0 HG3 LYS A 30 -1.772 -21.844 22.097 1.00 41.54 H new ATOM 0 HD2 LYS A 30 -0.853 -23.923 22.643 1.00 33.43 H new ATOM 0 HD3 LYS A 30 -0.563 -24.359 20.971 1.00 33.43 H new ATOM 0 HE2 LYS A 30 1.116 -22.305 21.031 1.00 24.02 H new ATOM 0 HE3 LYS A 30 1.052 -22.550 22.765 1.00 24.02 H new ATOM 0 HZ1 LYS A 30 2.863 -23.790 21.771 1.00 75.05 H new ATOM 0 HZ2 LYS A 30 1.724 -24.860 22.435 1.00 75.05 H new ATOM 0 HZ3 LYS A 30 1.786 -24.622 20.755 1.00 75.05 H new ATOM 489 N THR A 31 -4.870 -23.253 18.368 1.00 63.53 N ATOM 490 CA THR A 31 -5.993 -23.975 17.784 1.00 34.11 C ATOM 491 C THR A 31 -5.766 -24.240 16.300 1.00 24.34 C ATOM 492 O THR A 31 -5.680 -25.391 15.871 1.00 2.01 O ATOM 493 CB THR A 31 -7.312 -23.198 17.959 1.00 42.25 C ATOM 494 OG1 THR A 31 -7.730 -23.243 19.327 1.00 21.23 O ATOM 495 CG2 THR A 31 -8.403 -23.776 17.070 1.00 23.52 C ATOM 0 H THR A 31 -5.119 -22.362 18.798 1.00 63.53 H new ATOM 0 HA THR A 31 -6.066 -24.926 18.312 1.00 34.11 H new ATOM 0 HB THR A 31 -7.139 -22.162 17.667 1.00 42.25 H new ATOM 0 HG1 THR A 31 -7.277 -22.535 19.831 1.00 21.23 H new ATOM 0 HG21 THR A 31 -9.324 -23.211 17.211 1.00 23.52 H new ATOM 0 HG22 THR A 31 -8.094 -23.712 16.027 1.00 23.52 H new ATOM 0 HG23 THR A 31 -8.573 -24.820 17.335 1.00 23.52 H new ATOM 503 N VAL A 32 -5.668 -23.168 15.520 1.00 24.35 N ATOM 504 CA VAL A 32 -5.448 -23.286 14.084 1.00 44.41 C ATOM 505 C VAL A 32 -4.340 -24.287 13.778 1.00 61.34 C ATOM 506 O VAL A 32 -4.581 -25.326 13.163 1.00 41.21 O ATOM 507 CB VAL A 32 -5.082 -21.926 13.459 1.00 12.13 C ATOM 508 CG1 VAL A 32 -5.002 -22.038 11.944 1.00 33.35 C ATOM 509 CG2 VAL A 32 -6.090 -20.863 13.871 1.00 63.11 C ATOM 0 H VAL A 32 -5.738 -22.208 15.859 1.00 24.35 H new ATOM 0 HA VAL A 32 -6.383 -23.639 13.649 1.00 44.41 H new ATOM 0 HB VAL A 32 -4.101 -21.628 13.829 1.00 12.13 H new ATOM 0 HG11 VAL A 32 -4.742 -21.068 11.521 1.00 33.35 H new ATOM 0 HG12 VAL A 32 -4.239 -22.768 11.673 1.00 33.35 H new ATOM 0 HG13 VAL A 32 -5.967 -22.359 11.551 1.00 33.35 H new ATOM 0 HG21 VAL A 32 -5.817 -19.909 13.421 1.00 63.11 H new ATOM 0 HG22 VAL A 32 -7.084 -21.153 13.531 1.00 63.11 H new ATOM 0 HG23 VAL A 32 -6.092 -20.765 14.957 1.00 63.11 H new ATOM 519 N ALA A 33 -3.125 -23.968 14.211 1.00 63.41 N ATOM 520 CA ALA A 33 -1.980 -24.842 13.985 1.00 3.43 C ATOM 521 C ALA A 33 -2.220 -26.226 14.577 1.00 31.23 C ATOM 522 O ALA A 33 -1.583 -27.201 14.181 1.00 43.22 O ATOM 523 CB ALA A 33 -0.721 -24.224 14.576 1.00 23.30 C ATOM 0 H ALA A 33 -2.908 -23.111 14.720 1.00 63.41 H new ATOM 0 HA ALA A 33 -1.847 -24.955 12.909 1.00 3.43 H new ATOM 0 HB1 ALA A 33 0.126 -24.887 14.400 1.00 23.30 H new ATOM 0 HB2 ALA A 33 -0.532 -23.260 14.103 1.00 23.30 H new ATOM 0 HB3 ALA A 33 -0.854 -24.082 15.648 1.00 23.30 H new ATOM 529 N GLY A 34 -3.144 -26.305 15.530 1.00 33.31 N ATOM 530 CA GLY A 34 -3.452 -27.575 16.162 1.00 64.11 C ATOM 531 C GLY A 34 -3.995 -28.594 15.181 1.00 75.34 C ATOM 532 O GLY A 34 -3.336 -29.589 14.879 1.00 45.32 O ATOM 0 H GLY A 34 -3.685 -25.512 15.876 1.00 33.31 H new ATOM 0 HA2 GLY A 34 -2.552 -27.971 16.632 1.00 64.11 H new ATOM 0 HA3 GLY A 34 -4.182 -27.415 16.956 1.00 64.11 H new ATOM 536 N TRP A 35 -5.202 -28.348 14.683 1.00 20.51 N ATOM 537 CA TRP A 35 -5.835 -29.254 13.731 1.00 31.32 C ATOM 538 C TRP A 35 -5.178 -29.148 12.359 1.00 33.23 C ATOM 539 O TRP A 35 -5.296 -30.054 11.533 1.00 10.23 O ATOM 540 CB TRP A 35 -7.329 -28.947 13.620 1.00 34.41 C ATOM 541 CG TRP A 35 -7.623 -27.494 13.401 1.00 5.13 C ATOM 542 CD1 TRP A 35 -7.780 -26.536 14.362 1.00 75.02 C ATOM 543 CD2 TRP A 35 -7.795 -26.835 12.142 1.00 4.51 C ATOM 544 NE1 TRP A 35 -8.040 -25.321 13.776 1.00 54.24 N ATOM 545 CE2 TRP A 35 -8.053 -25.477 12.415 1.00 55.12 C ATOM 546 CE3 TRP A 35 -7.753 -27.258 10.811 1.00 31.01 C ATOM 547 CZ2 TRP A 35 -8.271 -24.543 11.405 1.00 64.52 C ATOM 548 CZ3 TRP A 35 -7.969 -26.330 9.810 1.00 72.41 C ATOM 549 CH2 TRP A 35 -8.224 -24.986 10.111 1.00 54.13 C ATOM 0 H TRP A 35 -5.761 -27.529 14.922 1.00 20.51 H new ATOM 0 HA TRP A 35 -5.707 -30.273 14.096 1.00 31.32 H new ATOM 0 HB2 TRP A 35 -7.751 -29.524 12.797 1.00 34.41 H new ATOM 0 HB3 TRP A 35 -7.829 -29.278 14.530 1.00 34.41 H new ATOM 0 HD1 TRP A 35 -7.710 -26.708 15.426 1.00 75.02 H new ATOM 0 HE1 TRP A 35 -8.198 -24.445 14.274 1.00 54.24 H new ATOM 0 HE3 TRP A 35 -7.555 -28.292 10.569 1.00 31.01 H new ATOM 0 HZ2 TRP A 35 -8.470 -23.507 11.635 1.00 64.52 H new ATOM 0 HZ3 TRP A 35 -7.941 -26.647 8.778 1.00 72.41 H new ATOM 0 HH2 TRP A 35 -8.387 -24.285 9.306 1.00 54.13 H new ATOM 560 N ILE A 36 -4.487 -28.038 12.123 1.00 33.22 N ATOM 561 CA ILE A 36 -3.811 -27.816 10.851 1.00 11.12 C ATOM 562 C ILE A 36 -2.645 -28.782 10.672 1.00 31.22 C ATOM 563 O ILE A 36 -2.539 -29.460 9.650 1.00 45.21 O ATOM 564 CB ILE A 36 -3.289 -26.372 10.736 1.00 5.32 C ATOM 565 CG1 ILE A 36 -4.394 -25.446 10.225 1.00 43.55 C ATOM 566 CG2 ILE A 36 -2.077 -26.318 9.817 1.00 34.31 C ATOM 567 CD1 ILE A 36 -3.897 -24.071 9.833 1.00 73.42 C ATOM 0 H ILE A 36 -4.381 -27.279 12.796 1.00 33.22 H new ATOM 0 HA ILE A 36 -4.548 -27.991 10.067 1.00 11.12 H new ATOM 0 HB ILE A 36 -2.985 -26.032 11.726 1.00 5.32 H new ATOM 0 HG12 ILE A 36 -4.875 -25.909 9.363 1.00 43.55 H new ATOM 0 HG13 ILE A 36 -5.156 -25.342 10.998 1.00 43.55 H new ATOM 0 HG21 ILE A 36 -1.720 -25.291 9.746 1.00 34.31 H new ATOM 0 HG22 ILE A 36 -1.286 -26.950 10.220 1.00 34.31 H new ATOM 0 HG23 ILE A 36 -2.356 -26.674 8.825 1.00 34.31 H new ATOM 0 HD11 ILE A 36 -4.734 -23.468 9.480 1.00 73.42 H new ATOM 0 HD12 ILE A 36 -3.442 -23.589 10.698 1.00 73.42 H new ATOM 0 HD13 ILE A 36 -3.157 -24.165 9.038 1.00 73.42 H new ATOM 579 N ARG A 37 -1.774 -28.842 11.674 1.00 1.40 N ATOM 580 CA ARG A 37 -0.616 -29.726 11.628 1.00 44.22 C ATOM 581 C ARG A 37 -1.037 -31.183 11.795 1.00 42.24 C ATOM 582 O ARG A 37 -0.459 -32.080 11.182 1.00 75.23 O ATOM 583 CB ARG A 37 0.387 -29.345 12.719 1.00 70.41 C ATOM 584 CG ARG A 37 1.831 -29.638 12.348 1.00 65.53 C ATOM 585 CD ARG A 37 2.272 -28.826 11.141 1.00 44.54 C ATOM 586 NE ARG A 37 3.515 -28.101 11.393 1.00 11.31 N ATOM 587 CZ ARG A 37 3.572 -26.944 12.043 1.00 13.32 C ATOM 588 NH1 ARG A 37 2.462 -26.383 12.504 1.00 20.42 N ATOM 589 NH2 ARG A 37 4.740 -26.345 12.234 1.00 44.14 N ATOM 0 H ARG A 37 -1.849 -28.289 12.528 1.00 1.40 H new ATOM 0 HA ARG A 37 -0.142 -29.612 10.653 1.00 44.22 H new ATOM 0 HB2 ARG A 37 0.286 -28.282 12.939 1.00 70.41 H new ATOM 0 HB3 ARG A 37 0.139 -29.884 13.633 1.00 70.41 H new ATOM 0 HG2 ARG A 37 2.478 -29.413 13.196 1.00 65.53 H new ATOM 0 HG3 ARG A 37 1.944 -30.701 12.134 1.00 65.53 H new ATOM 0 HD2 ARG A 37 2.406 -29.490 10.287 1.00 44.54 H new ATOM 0 HD3 ARG A 37 1.487 -28.118 10.874 1.00 44.54 H new ATOM 0 HE ARG A 37 4.387 -28.505 11.051 1.00 11.31 H new ATOM 0 HH11 ARG A 37 1.562 -26.840 12.360 1.00 20.42 H new ATOM 0 HH12 ARG A 37 2.509 -25.495 13.003 1.00 20.42 H new ATOM 0 HH21 ARG A 37 5.596 -26.773 11.881 1.00 44.14 H new ATOM 0 HH22 ARG A 37 4.782 -25.457 12.733 1.00 44.14 H new ATOM 603 N ALA A 38 -2.046 -31.410 12.629 1.00 52.22 N ATOM 604 CA ALA A 38 -2.546 -32.757 12.875 1.00 4.21 C ATOM 605 C ALA A 38 -3.077 -33.388 11.593 1.00 71.31 C ATOM 606 O ALA A 38 -2.682 -34.495 11.224 1.00 74.31 O ATOM 607 CB ALA A 38 -3.630 -32.731 13.942 1.00 52.21 C ATOM 0 H ALA A 38 -2.534 -30.678 13.146 1.00 52.22 H new ATOM 0 HA ALA A 38 -1.716 -33.367 13.232 1.00 4.21 H new ATOM 0 HB1 ALA A 38 -3.994 -33.744 14.115 1.00 52.21 H new ATOM 0 HB2 ALA A 38 -3.219 -32.329 14.868 1.00 52.21 H new ATOM 0 HB3 ALA A 38 -4.454 -32.101 13.608 1.00 52.21 H new ATOM 613 N LEU A 39 -3.975 -32.679 10.918 1.00 64.13 N ATOM 614 CA LEU A 39 -4.561 -33.171 9.676 1.00 54.21 C ATOM 615 C LEU A 39 -3.518 -33.224 8.564 1.00 12.13 C ATOM 616 O LEU A 39 -3.510 -34.148 7.751 1.00 23.12 O ATOM 617 CB LEU A 39 -5.730 -32.279 9.252 1.00 5.44 C ATOM 618 CG LEU A 39 -5.355 -30.953 8.587 1.00 33.54 C ATOM 619 CD1 LEU A 39 -5.182 -31.139 7.088 1.00 64.00 C ATOM 620 CD2 LEU A 39 -6.409 -29.895 8.877 1.00 15.01 C ATOM 0 H LEU A 39 -4.313 -31.762 11.210 1.00 64.13 H new ATOM 0 HA LEU A 39 -4.928 -34.182 9.853 1.00 54.21 H new ATOM 0 HB2 LEU A 39 -6.360 -32.842 8.564 1.00 5.44 H new ATOM 0 HB3 LEU A 39 -6.334 -32.063 10.133 1.00 5.44 H new ATOM 0 HG LEU A 39 -4.406 -30.615 9.002 1.00 33.54 H new ATOM 0 HD11 LEU A 39 -4.915 -30.186 6.631 1.00 64.00 H new ATOM 0 HD12 LEU A 39 -4.391 -31.865 6.900 1.00 64.00 H new ATOM 0 HD13 LEU A 39 -6.115 -31.500 6.656 1.00 64.00 H new ATOM 0 HD21 LEU A 39 -6.126 -28.958 8.396 1.00 15.01 H new ATOM 0 HD22 LEU A 39 -7.373 -30.225 8.489 1.00 15.01 H new ATOM 0 HD23 LEU A 39 -6.484 -29.742 9.954 1.00 15.01 H new ATOM 632 N ARG A 40 -2.639 -32.228 8.537 1.00 2.31 N ATOM 633 CA ARG A 40 -1.590 -32.162 7.526 1.00 14.41 C ATOM 634 C ARG A 40 -0.659 -33.365 7.630 1.00 64.43 C ATOM 635 O ARG A 40 -0.500 -34.124 6.674 1.00 64.15 O ATOM 636 CB ARG A 40 -0.788 -30.868 7.677 1.00 52.33 C ATOM 637 CG ARG A 40 0.223 -30.645 6.564 1.00 72.01 C ATOM 638 CD ARG A 40 -0.198 -29.505 5.649 1.00 24.40 C ATOM 639 NE ARG A 40 -1.533 -29.712 5.096 1.00 73.03 N ATOM 640 CZ ARG A 40 -2.229 -28.762 4.481 1.00 70.23 C ATOM 641 NH1 ARG A 40 -1.718 -27.547 4.341 1.00 40.23 N ATOM 642 NH2 ARG A 40 -3.439 -29.027 4.004 1.00 65.43 N ATOM 0 H ARG A 40 -2.632 -31.456 9.203 1.00 2.31 H new ATOM 0 HA ARG A 40 -2.064 -32.175 6.545 1.00 14.41 H new ATOM 0 HB2 ARG A 40 -1.477 -30.024 7.705 1.00 52.33 H new ATOM 0 HB3 ARG A 40 -0.265 -30.884 8.633 1.00 52.33 H new ATOM 0 HG2 ARG A 40 1.199 -30.425 6.996 1.00 72.01 H new ATOM 0 HG3 ARG A 40 0.332 -31.560 5.981 1.00 72.01 H new ATOM 0 HD2 ARG A 40 -0.177 -28.568 6.205 1.00 24.40 H new ATOM 0 HD3 ARG A 40 0.521 -29.409 4.835 1.00 24.40 H new ATOM 0 HE ARG A 40 -1.954 -30.636 5.187 1.00 73.03 H new ATOM 0 HH11 ARG A 40 -0.788 -27.340 4.706 1.00 40.23 H new ATOM 0 HH12 ARG A 40 -2.254 -26.819 3.868 1.00 40.23 H new ATOM 0 HH21 ARG A 40 -3.835 -29.961 4.109 1.00 65.43 H new ATOM 0 HH22 ARG A 40 -3.972 -28.297 3.532 1.00 65.43 H new ATOM 656 N SER A 41 -0.045 -33.533 8.797 1.00 64.44 N ATOM 657 CA SER A 41 0.875 -34.642 9.024 1.00 32.10 C ATOM 658 C SER A 41 0.171 -35.981 8.824 1.00 23.01 C ATOM 659 O SER A 41 0.748 -36.924 8.280 1.00 51.42 O ATOM 660 CB SER A 41 1.460 -34.566 10.436 1.00 74.13 C ATOM 661 OG SER A 41 2.221 -35.723 10.735 1.00 35.35 O ATOM 0 H SER A 41 -0.168 -32.916 9.600 1.00 64.44 H new ATOM 0 HA SER A 41 1.685 -34.565 8.298 1.00 32.10 H new ATOM 0 HB2 SER A 41 2.089 -33.680 10.525 1.00 74.13 H new ATOM 0 HB3 SER A 41 0.654 -34.459 11.162 1.00 74.13 H new ATOM 0 HG SER A 41 2.585 -35.650 11.642 1.00 35.35 H new ATOM 667 N LEU A 42 -1.078 -36.057 9.268 1.00 33.43 N ATOM 668 CA LEU A 42 -1.863 -37.281 9.139 1.00 2.40 C ATOM 669 C LEU A 42 -2.035 -37.665 7.673 1.00 41.31 C ATOM 670 O LEU A 42 -1.849 -38.822 7.298 1.00 31.14 O ATOM 671 CB LEU A 42 -3.233 -37.103 9.796 1.00 41.13 C ATOM 672 CG LEU A 42 -4.242 -38.227 9.559 1.00 24.50 C ATOM 673 CD1 LEU A 42 -3.835 -39.478 10.323 1.00 72.45 C ATOM 674 CD2 LEU A 42 -5.640 -37.784 9.964 1.00 3.20 C ATOM 0 H LEU A 42 -1.570 -35.286 9.721 1.00 33.43 H new ATOM 0 HA LEU A 42 -1.326 -38.083 9.645 1.00 2.40 H new ATOM 0 HB2 LEU A 42 -3.087 -36.994 10.871 1.00 41.13 H new ATOM 0 HB3 LEU A 42 -3.667 -36.170 9.437 1.00 41.13 H new ATOM 0 HG LEU A 42 -4.252 -38.462 8.495 1.00 24.50 H new ATOM 0 HD11 LEU A 42 -4.564 -40.268 10.143 1.00 72.45 H new ATOM 0 HD12 LEU A 42 -2.853 -39.807 9.985 1.00 72.45 H new ATOM 0 HD13 LEU A 42 -3.796 -39.256 11.390 1.00 72.45 H new ATOM 0 HD21 LEU A 42 -6.345 -38.597 9.788 1.00 3.20 H new ATOM 0 HD22 LEU A 42 -5.646 -37.521 11.022 1.00 3.20 H new ATOM 0 HD23 LEU A 42 -5.932 -36.916 9.373 1.00 3.20 H new ATOM 686 N ALA A 43 -2.389 -36.685 6.848 1.00 70.25 N ATOM 687 CA ALA A 43 -2.582 -36.920 5.422 1.00 42.31 C ATOM 688 C ALA A 43 -1.283 -37.364 4.758 1.00 21.32 C ATOM 689 O ALA A 43 -1.263 -38.328 3.991 1.00 1.50 O ATOM 690 CB ALA A 43 -3.118 -35.665 4.748 1.00 34.35 C ATOM 0 H ALA A 43 -2.548 -35.721 7.142 1.00 70.25 H new ATOM 0 HA ALA A 43 -3.312 -37.722 5.307 1.00 42.31 H new ATOM 0 HB1 ALA A 43 -3.257 -35.855 3.684 1.00 34.35 H new ATOM 0 HB2 ALA A 43 -4.073 -35.391 5.196 1.00 34.35 H new ATOM 0 HB3 ALA A 43 -2.408 -34.849 4.881 1.00 34.35 H new ATOM 696 N THR A 44 -0.198 -36.656 5.057 1.00 31.22 N ATOM 697 CA THR A 44 1.105 -36.977 4.488 1.00 13.32 C ATOM 698 C THR A 44 1.535 -38.391 4.861 1.00 75.04 C ATOM 699 O THR A 44 2.160 -39.092 4.064 1.00 3.51 O ATOM 700 CB THR A 44 2.184 -35.984 4.960 1.00 55.51 C ATOM 701 OG1 THR A 44 2.476 -36.200 6.345 1.00 45.22 O ATOM 702 CG2 THR A 44 1.726 -34.548 4.751 1.00 13.14 C ATOM 0 H THR A 44 -0.196 -35.856 5.690 1.00 31.22 H new ATOM 0 HA THR A 44 1.003 -36.905 3.405 1.00 13.32 H new ATOM 0 HB THR A 44 3.084 -36.151 4.369 1.00 55.51 H new ATOM 0 HG1 THR A 44 1.641 -36.344 6.837 1.00 45.22 H new ATOM 0 HG21 THR A 44 2.504 -33.865 5.092 1.00 13.14 H new ATOM 0 HG22 THR A 44 1.532 -34.378 3.692 1.00 13.14 H new ATOM 0 HG23 THR A 44 0.813 -34.371 5.320 1.00 13.14 H new ATOM 710 N THR A 45 1.195 -38.807 6.077 1.00 75.24 N ATOM 711 CA THR A 45 1.546 -40.138 6.555 1.00 73.31 C ATOM 712 C THR A 45 0.706 -41.209 5.867 1.00 44.11 C ATOM 713 O THR A 45 1.180 -42.317 5.617 1.00 72.53 O ATOM 714 CB THR A 45 1.357 -40.255 8.079 1.00 23.42 C ATOM 715 OG1 THR A 45 2.261 -39.373 8.754 1.00 41.03 O ATOM 716 CG2 THR A 45 1.593 -41.684 8.545 1.00 31.24 C ATOM 0 H THR A 45 0.677 -38.241 6.749 1.00 75.24 H new ATOM 0 HA THR A 45 2.597 -40.293 6.313 1.00 73.31 H new ATOM 0 HB THR A 45 0.331 -39.976 8.318 1.00 23.42 H new ATOM 0 HG1 THR A 45 1.920 -38.456 8.706 1.00 41.03 H new ATOM 0 HG21 THR A 45 1.454 -41.742 9.625 1.00 31.24 H new ATOM 0 HG22 THR A 45 0.885 -42.349 8.051 1.00 31.24 H new ATOM 0 HG23 THR A 45 2.610 -41.986 8.293 1.00 31.24 H new ATOM 724 N VAL A 46 -0.542 -40.870 5.562 1.00 34.32 N ATOM 725 CA VAL A 46 -1.448 -41.802 4.901 1.00 65.52 C ATOM 726 C VAL A 46 -1.429 -41.608 3.389 1.00 44.31 C ATOM 727 O VAL A 46 -2.166 -42.270 2.659 1.00 12.43 O ATOM 728 CB VAL A 46 -2.892 -41.639 5.410 1.00 21.44 C ATOM 729 CG1 VAL A 46 -3.672 -40.693 4.511 1.00 41.21 C ATOM 730 CG2 VAL A 46 -3.581 -42.993 5.499 1.00 10.33 C ATOM 0 H VAL A 46 -0.949 -39.956 5.762 1.00 34.32 H new ATOM 0 HA VAL A 46 -1.098 -42.806 5.140 1.00 65.52 H new ATOM 0 HB VAL A 46 -2.860 -41.207 6.410 1.00 21.44 H new ATOM 0 HG11 VAL A 46 -4.690 -40.591 4.887 1.00 41.21 H new ATOM 0 HG12 VAL A 46 -3.188 -39.716 4.503 1.00 41.21 H new ATOM 0 HG13 VAL A 46 -3.698 -41.093 3.497 1.00 41.21 H new ATOM 0 HG21 VAL A 46 -4.601 -42.859 5.860 1.00 10.33 H new ATOM 0 HG22 VAL A 46 -3.603 -43.455 4.512 1.00 10.33 H new ATOM 0 HG23 VAL A 46 -3.033 -43.635 6.188 1.00 10.33 H new ATOM 740 N GLN A 47 -0.580 -40.695 2.926 1.00 71.51 N ATOM 741 CA GLN A 47 -0.466 -40.414 1.500 1.00 45.41 C ATOM 742 C GLN A 47 0.997 -40.349 1.074 1.00 44.33 C ATOM 743 O GLN A 47 1.420 -41.058 0.162 1.00 23.20 O ATOM 744 CB GLN A 47 -1.167 -39.097 1.161 1.00 63.12 C ATOM 745 CG GLN A 47 -2.675 -39.146 1.344 1.00 20.32 C ATOM 746 CD GLN A 47 -3.358 -37.865 0.908 1.00 71.45 C ATOM 747 OE1 GLN A 47 -4.193 -37.317 1.627 1.00 32.04 O ATOM 748 NE2 GLN A 47 -3.006 -37.381 -0.278 1.00 11.34 N ATOM 0 H GLN A 47 0.038 -40.139 3.517 1.00 71.51 H new ATOM 0 HA GLN A 47 -0.949 -41.225 0.955 1.00 45.41 H new ATOM 0 HB2 GLN A 47 -0.759 -38.305 1.789 1.00 63.12 H new ATOM 0 HB3 GLN A 47 -0.943 -38.831 0.128 1.00 63.12 H new ATOM 0 HG2 GLN A 47 -3.079 -39.981 0.773 1.00 20.32 H new ATOM 0 HG3 GLN A 47 -2.904 -39.336 2.393 1.00 20.32 H new ATOM 0 HE21 GLN A 47 -2.309 -37.868 -0.841 1.00 11.34 H new ATOM 0 HE22 GLN A 47 -3.433 -36.522 -0.625 1.00 11.34 H new ATOM 757 N ASN A 48 1.765 -39.492 1.740 1.00 62.34 N ATOM 758 CA ASN A 48 3.181 -39.334 1.429 1.00 43.02 C ATOM 759 C ASN A 48 3.996 -40.493 1.996 1.00 54.20 C ATOM 760 O ASN A 48 4.980 -40.284 2.703 1.00 4.05 O ATOM 761 CB ASN A 48 3.702 -38.008 1.987 1.00 24.35 C ATOM 762 CG ASN A 48 2.709 -36.876 1.810 1.00 3.01 C ATOM 763 OD1 ASN A 48 2.944 -35.754 2.259 1.00 13.12 O ATOM 764 ND2 ASN A 48 1.593 -37.166 1.153 1.00 74.14 N ATOM 0 H ASN A 48 1.431 -38.897 2.498 1.00 62.34 H new ATOM 0 HA ASN A 48 3.291 -39.333 0.345 1.00 43.02 H new ATOM 0 HB2 ASN A 48 3.928 -38.127 3.047 1.00 24.35 H new ATOM 0 HB3 ASN A 48 4.636 -37.749 1.489 1.00 24.35 H new ATOM 0 HD21 ASN A 48 0.888 -36.445 1.003 1.00 74.14 H new ATOM 0 HD22 ASN A 48 1.441 -38.110 0.798 1.00 74.14 H new ATOM 771 N GLU A 49 3.577 -41.714 1.679 1.00 33.23 N ATOM 772 CA GLU A 49 4.267 -42.906 2.158 1.00 45.12 C ATOM 773 C GLU A 49 4.035 -44.084 1.216 1.00 24.23 C ATOM 774 O GLU A 49 4.983 -44.730 0.766 1.00 51.53 O ATOM 775 CB GLU A 49 3.795 -43.265 3.568 1.00 15.10 C ATOM 776 CG GLU A 49 4.589 -42.583 4.669 1.00 44.23 C ATOM 777 CD GLU A 49 4.188 -43.051 6.054 1.00 0.10 C ATOM 778 OE1 GLU A 49 3.244 -43.861 6.157 1.00 74.13 O ATOM 779 OE2 GLU A 49 4.819 -42.606 7.036 1.00 64.52 O ATOM 0 H GLU A 49 2.764 -41.904 1.093 1.00 33.23 H new ATOM 0 HA GLU A 49 5.335 -42.690 2.185 1.00 45.12 H new ATOM 0 HB2 GLU A 49 2.744 -42.995 3.670 1.00 15.10 H new ATOM 0 HB3 GLU A 49 3.861 -44.345 3.700 1.00 15.10 H new ATOM 0 HG2 GLU A 49 5.651 -42.775 4.518 1.00 44.23 H new ATOM 0 HG3 GLU A 49 4.447 -41.505 4.599 1.00 44.23 H new ATOM 786 N LEU A 50 2.769 -44.359 0.924 1.00 62.41 N ATOM 787 CA LEU A 50 2.411 -45.460 0.036 1.00 31.43 C ATOM 788 C LEU A 50 2.080 -44.947 -1.361 1.00 75.34 C ATOM 789 O LEU A 50 1.995 -45.721 -2.315 1.00 62.45 O ATOM 790 CB LEU A 50 1.219 -46.232 0.605 1.00 73.24 C ATOM 791 CG LEU A 50 0.197 -45.407 1.388 1.00 30.42 C ATOM 792 CD1 LEU A 50 -1.191 -46.016 1.261 1.00 23.54 C ATOM 793 CD2 LEU A 50 0.604 -45.304 2.851 1.00 43.43 C ATOM 0 H LEU A 50 1.973 -43.835 1.289 1.00 62.41 H new ATOM 0 HA LEU A 50 3.268 -46.129 -0.037 1.00 31.43 H new ATOM 0 HB2 LEU A 50 0.704 -46.724 -0.220 1.00 73.24 H new ATOM 0 HB3 LEU A 50 1.599 -47.018 1.258 1.00 73.24 H new ATOM 0 HG LEU A 50 0.170 -44.402 0.967 1.00 30.42 H new ATOM 0 HD11 LEU A 50 -1.905 -45.415 1.825 1.00 23.54 H new ATOM 0 HD12 LEU A 50 -1.484 -46.038 0.211 1.00 23.54 H new ATOM 0 HD13 LEU A 50 -1.180 -47.032 1.656 1.00 23.54 H new ATOM 0 HD21 LEU A 50 -0.134 -44.714 3.393 1.00 43.43 H new ATOM 0 HD22 LEU A 50 0.660 -46.303 3.284 1.00 43.43 H new ATOM 0 HD23 LEU A 50 1.579 -44.822 2.924 1.00 43.43 H new ATOM 805 N THR A 51 1.894 -43.636 -1.476 1.00 43.24 N ATOM 806 CA THR A 51 1.573 -43.019 -2.757 1.00 45.31 C ATOM 807 C THR A 51 2.641 -43.329 -3.800 1.00 21.41 C ATOM 808 O THR A 51 2.410 -43.184 -5.000 1.00 34.12 O ATOM 809 CB THR A 51 1.431 -41.491 -2.624 1.00 50.34 C ATOM 810 OG1 THR A 51 0.048 -41.135 -2.516 1.00 21.22 O ATOM 811 CG2 THR A 51 2.049 -40.784 -3.821 1.00 41.42 C ATOM 0 H THR A 51 1.960 -42.981 -0.697 1.00 43.24 H new ATOM 0 HA THR A 51 0.621 -43.439 -3.080 1.00 45.31 H new ATOM 0 HB THR A 51 1.958 -41.176 -1.724 1.00 50.34 H new ATOM 0 HG1 THR A 51 -0.414 -41.788 -1.950 1.00 21.22 H new ATOM 0 HG21 THR A 51 1.937 -39.706 -3.705 1.00 41.42 H new ATOM 0 HG22 THR A 51 3.108 -41.034 -3.884 1.00 41.42 H new ATOM 0 HG23 THR A 51 1.546 -41.105 -4.733 1.00 41.42 H new ATOM 819 N GLN A 52 3.810 -43.758 -3.334 1.00 73.21 N ATOM 820 CA GLN A 52 4.913 -44.089 -4.228 1.00 72.42 C ATOM 821 C GLN A 52 5.624 -45.358 -3.769 1.00 32.02 C ATOM 822 O GLN A 52 6.738 -45.647 -4.203 1.00 22.41 O ATOM 823 CB GLN A 52 5.908 -42.929 -4.297 1.00 34.43 C ATOM 824 CG GLN A 52 6.724 -42.753 -3.027 1.00 5.31 C ATOM 825 CD GLN A 52 6.728 -41.321 -2.529 1.00 53.34 C ATOM 826 OE1 GLN A 52 7.234 -40.420 -3.199 1.00 55.23 O ATOM 827 NE2 GLN A 52 6.161 -41.103 -1.348 1.00 42.34 N ATOM 0 H GLN A 52 4.017 -43.884 -2.343 1.00 73.21 H new ATOM 0 HA GLN A 52 4.501 -44.264 -5.222 1.00 72.42 H new ATOM 0 HB2 GLN A 52 6.586 -43.092 -5.135 1.00 34.43 H new ATOM 0 HB3 GLN A 52 5.365 -42.006 -4.501 1.00 34.43 H new ATOM 0 HG2 GLN A 52 6.323 -43.403 -2.249 1.00 5.31 H new ATOM 0 HG3 GLN A 52 7.750 -43.072 -3.212 1.00 5.31 H new ATOM 0 HE21 GLN A 52 5.754 -41.879 -0.827 1.00 42.34 H new ATOM 0 HE22 GLN A 52 6.133 -40.159 -0.962 1.00 42.34 H new ATOM 836 N GLU A 53 4.971 -46.110 -2.888 1.00 65.31 N ATOM 837 CA GLU A 53 5.543 -47.347 -2.369 1.00 61.54 C ATOM 838 C GLU A 53 4.565 -48.508 -2.528 1.00 55.54 C ATOM 839 O GLU A 53 4.964 -49.636 -2.819 1.00 33.13 O ATOM 840 CB GLU A 53 5.920 -47.183 -0.896 1.00 4.53 C ATOM 841 CG GLU A 53 6.827 -48.284 -0.373 1.00 1.13 C ATOM 842 CD GLU A 53 7.340 -48.002 1.026 1.00 31.13 C ATOM 843 OE1 GLU A 53 6.506 -47.824 1.939 1.00 74.44 O ATOM 844 OE2 GLU A 53 8.574 -47.959 1.209 1.00 64.11 O ATOM 0 H GLU A 53 4.047 -45.885 -2.519 1.00 65.31 H new ATOM 0 HA GLU A 53 6.442 -47.570 -2.944 1.00 61.54 H new ATOM 0 HB2 GLU A 53 6.415 -46.221 -0.761 1.00 4.53 H new ATOM 0 HB3 GLU A 53 5.009 -47.159 -0.297 1.00 4.53 H new ATOM 0 HG2 GLU A 53 6.283 -49.228 -0.373 1.00 1.13 H new ATOM 0 HG3 GLU A 53 7.674 -48.404 -1.049 1.00 1.13 H new ATOM 851 N LEU A 54 3.282 -48.222 -2.336 1.00 14.02 N ATOM 852 CA LEU A 54 2.244 -49.241 -2.457 1.00 4.30 C ATOM 853 C LEU A 54 0.977 -48.657 -3.073 1.00 11.24 C ATOM 854 O LEU A 54 0.374 -49.255 -3.964 1.00 41.22 O ATOM 855 CB LEU A 54 1.929 -49.841 -1.086 1.00 22.41 C ATOM 856 CG LEU A 54 0.717 -50.772 -1.023 1.00 43.32 C ATOM 857 CD1 LEU A 54 -0.574 -49.968 -1.039 1.00 62.20 C ATOM 858 CD2 LEU A 54 0.745 -51.762 -2.178 1.00 23.51 C ATOM 0 H LEU A 54 2.935 -47.293 -2.096 1.00 14.02 H new ATOM 0 HA LEU A 54 2.616 -50.027 -3.114 1.00 4.30 H new ATOM 0 HB2 LEU A 54 2.804 -50.393 -0.743 1.00 22.41 H new ATOM 0 HB3 LEU A 54 1.772 -49.024 -0.382 1.00 22.41 H new ATOM 0 HG LEU A 54 0.761 -51.332 -0.089 1.00 43.32 H new ATOM 0 HD11 LEU A 54 -1.426 -50.647 -0.994 1.00 62.20 H new ATOM 0 HD12 LEU A 54 -0.597 -49.299 -0.179 1.00 62.20 H new ATOM 0 HD13 LEU A 54 -0.626 -49.381 -1.956 1.00 62.20 H new ATOM 0 HD21 LEU A 54 -0.125 -52.416 -2.117 1.00 23.51 H new ATOM 0 HD22 LEU A 54 0.725 -51.219 -3.123 1.00 23.51 H new ATOM 0 HD23 LEU A 54 1.654 -52.361 -2.122 1.00 23.51 H new ATOM 870 N LYS A 55 0.578 -47.484 -2.592 1.00 44.35 N ATOM 871 CA LYS A 55 -0.615 -46.816 -3.097 1.00 14.40 C ATOM 872 C LYS A 55 -0.296 -46.000 -4.346 1.00 23.22 C ATOM 873 O LYS A 55 -1.005 -45.049 -4.677 1.00 72.43 O ATOM 874 CB LYS A 55 -1.210 -45.906 -2.019 1.00 44.13 C ATOM 875 CG LYS A 55 -2.294 -44.977 -2.538 1.00 3.14 C ATOM 876 CD LYS A 55 -3.259 -44.577 -1.435 1.00 13.33 C ATOM 877 CE LYS A 55 -4.100 -45.758 -0.974 1.00 4.31 C ATOM 878 NZ LYS A 55 -4.284 -45.765 0.504 1.00 45.41 N ATOM 0 H LYS A 55 1.064 -46.977 -1.853 1.00 44.35 H new ATOM 0 HA LYS A 55 -1.344 -47.582 -3.362 1.00 14.40 H new ATOM 0 HB2 LYS A 55 -1.624 -46.524 -1.222 1.00 44.13 H new ATOM 0 HB3 LYS A 55 -0.412 -45.309 -1.578 1.00 44.13 H new ATOM 0 HG2 LYS A 55 -1.836 -44.084 -2.964 1.00 3.14 H new ATOM 0 HG3 LYS A 55 -2.842 -45.469 -3.342 1.00 3.14 H new ATOM 0 HD2 LYS A 55 -2.700 -44.175 -0.590 1.00 13.33 H new ATOM 0 HD3 LYS A 55 -3.912 -43.781 -1.793 1.00 13.33 H new ATOM 0 HE2 LYS A 55 -5.074 -45.722 -1.461 1.00 4.31 H new ATOM 0 HE3 LYS A 55 -3.622 -46.687 -1.285 1.00 4.31 H new ATOM 0 HZ1 LYS A 55 -3.803 -46.593 0.910 1.00 45.41 H new ATOM 0 HZ2 LYS A 55 -3.880 -44.896 0.908 1.00 45.41 H new ATOM 0 HZ3 LYS A 55 -5.299 -45.811 0.727 1.00 45.41 H new ATOM 892 N LEU A 56 0.775 -46.378 -5.036 1.00 34.43 N ATOM 893 CA LEU A 56 1.187 -45.683 -6.250 1.00 3.11 C ATOM 894 C LEU A 56 0.228 -45.977 -7.399 1.00 20.03 C ATOM 895 O LEU A 56 0.415 -45.493 -8.515 1.00 23.43 O ATOM 896 CB LEU A 56 2.608 -46.094 -6.639 1.00 24.41 C ATOM 897 CG LEU A 56 2.982 -47.553 -6.370 1.00 42.53 C ATOM 898 CD1 LEU A 56 1.815 -48.472 -6.697 1.00 2.55 C ATOM 899 CD2 LEU A 56 4.213 -47.944 -7.175 1.00 21.43 C ATOM 0 H LEU A 56 1.373 -47.162 -4.775 1.00 34.43 H new ATOM 0 HA LEU A 56 1.167 -44.612 -6.050 1.00 3.11 H new ATOM 0 HB2 LEU A 56 2.744 -45.895 -7.702 1.00 24.41 H new ATOM 0 HB3 LEU A 56 3.309 -45.455 -6.102 1.00 24.41 H new ATOM 0 HG LEU A 56 3.216 -47.659 -5.311 1.00 42.53 H new ATOM 0 HD11 LEU A 56 2.099 -49.506 -6.500 1.00 2.55 H new ATOM 0 HD12 LEU A 56 0.958 -48.207 -6.078 1.00 2.55 H new ATOM 0 HD13 LEU A 56 1.550 -48.363 -7.749 1.00 2.55 H new ATOM 0 HD21 LEU A 56 4.465 -48.985 -6.972 1.00 21.43 H new ATOM 0 HD22 LEU A 56 4.006 -47.822 -8.238 1.00 21.43 H new ATOM 0 HD23 LEU A 56 5.050 -47.306 -6.892 1.00 21.43 H new ATOM 911 N GLN A 57 -0.800 -46.771 -7.116 1.00 42.11 N ATOM 912 CA GLN A 57 -1.789 -47.128 -8.126 1.00 51.30 C ATOM 913 C GLN A 57 -3.182 -46.663 -7.712 1.00 24.41 C ATOM 914 O GLN A 57 -3.899 -46.047 -8.498 1.00 54.14 O ATOM 915 CB GLN A 57 -1.790 -48.640 -8.357 1.00 55.32 C ATOM 916 CG GLN A 57 -1.421 -49.038 -9.777 1.00 31.41 C ATOM 917 CD GLN A 57 0.060 -49.316 -9.938 1.00 64.24 C ATOM 918 OE1 GLN A 57 0.455 -50.368 -10.442 1.00 63.21 O ATOM 919 NE2 GLN A 57 0.890 -48.372 -9.511 1.00 1.32 N ATOM 0 H GLN A 57 -0.969 -47.179 -6.197 1.00 42.11 H new ATOM 0 HA GLN A 57 -1.520 -46.626 -9.056 1.00 51.30 H new ATOM 0 HB2 GLN A 57 -1.089 -49.106 -7.664 1.00 55.32 H new ATOM 0 HB3 GLN A 57 -2.779 -49.034 -8.123 1.00 55.32 H new ATOM 0 HG2 GLN A 57 -1.986 -49.926 -10.060 1.00 31.41 H new ATOM 0 HG3 GLN A 57 -1.714 -48.242 -10.461 1.00 31.41 H new ATOM 0 HE21 GLN A 57 0.520 -47.515 -9.100 1.00 1.32 H new ATOM 0 HE22 GLN A 57 1.898 -48.503 -9.594 1.00 1.32 H new ATOM 928 N GLU A 58 -3.556 -46.965 -6.472 1.00 52.44 N ATOM 929 CA GLU A 58 -4.864 -46.579 -5.955 1.00 42.42 C ATOM 930 C GLU A 58 -5.144 -45.104 -6.231 1.00 74.21 C ATOM 931 O GLU A 58 -6.182 -44.753 -6.794 1.00 5.32 O ATOM 932 CB GLU A 58 -4.943 -46.852 -4.452 1.00 12.52 C ATOM 933 CG GLU A 58 -6.239 -47.519 -4.022 1.00 25.40 C ATOM 934 CD GLU A 58 -6.140 -49.033 -4.013 1.00 42.53 C ATOM 935 OE1 GLU A 58 -5.164 -49.559 -3.439 1.00 63.41 O ATOM 936 OE2 GLU A 58 -7.037 -49.690 -4.580 1.00 55.54 O ATOM 0 H GLU A 58 -2.973 -47.475 -5.808 1.00 52.44 H new ATOM 0 HA GLU A 58 -5.619 -47.176 -6.466 1.00 42.42 H new ATOM 0 HB2 GLU A 58 -4.105 -47.485 -4.162 1.00 12.52 H new ATOM 0 HB3 GLU A 58 -4.833 -45.911 -3.914 1.00 12.52 H new ATOM 0 HG2 GLU A 58 -6.510 -47.170 -3.025 1.00 25.40 H new ATOM 0 HG3 GLU A 58 -7.041 -47.215 -4.695 1.00 25.40 H new ATOM 943 N PHE A 59 -4.213 -44.246 -5.830 1.00 43.41 N ATOM 944 CA PHE A 59 -4.359 -42.809 -6.032 1.00 53.11 C ATOM 945 C PHE A 59 -4.349 -42.465 -7.519 1.00 5.33 C ATOM 946 O PHE A 59 -5.020 -41.530 -7.954 1.00 44.50 O ATOM 947 CB PHE A 59 -3.238 -42.054 -5.314 1.00 72.43 C ATOM 948 CG PHE A 59 -3.621 -41.574 -3.944 1.00 21.24 C ATOM 949 CD1 PHE A 59 -4.832 -40.936 -3.732 1.00 12.22 C ATOM 950 CD2 PHE A 59 -2.769 -41.761 -2.867 1.00 1.31 C ATOM 951 CE1 PHE A 59 -5.188 -40.493 -2.472 1.00 4.04 C ATOM 952 CE2 PHE A 59 -3.119 -41.320 -1.605 1.00 31.55 C ATOM 953 CZ PHE A 59 -4.329 -40.685 -1.407 1.00 13.32 C ATOM 0 H PHE A 59 -3.349 -44.520 -5.363 1.00 43.41 H new ATOM 0 HA PHE A 59 -5.318 -42.504 -5.613 1.00 53.11 H new ATOM 0 HB2 PHE A 59 -2.367 -42.704 -5.232 1.00 72.43 H new ATOM 0 HB3 PHE A 59 -2.941 -41.198 -5.920 1.00 72.43 H new ATOM 0 HD1 PHE A 59 -5.506 -40.783 -4.561 1.00 12.22 H new ATOM 0 HD2 PHE A 59 -1.821 -42.257 -3.016 1.00 1.31 H new ATOM 0 HE1 PHE A 59 -6.136 -39.998 -2.320 1.00 4.04 H new ATOM 0 HE2 PHE A 59 -2.446 -41.472 -0.774 1.00 31.55 H new ATOM 0 HZ PHE A 59 -4.603 -40.339 -0.421 1.00 13.32 H new ATOM 963 N GLN A 60 -3.581 -43.227 -8.291 1.00 35.41 N ATOM 964 CA GLN A 60 -3.482 -43.003 -9.728 1.00 51.52 C ATOM 965 C GLN A 60 -4.813 -43.287 -10.417 1.00 3.10 C ATOM 966 O GLN A 60 -5.290 -42.487 -11.222 1.00 1.44 O ATOM 967 CB GLN A 60 -2.385 -43.883 -10.329 1.00 21.02 C ATOM 968 CG GLN A 60 -1.477 -43.146 -11.300 1.00 41.00 C ATOM 969 CD GLN A 60 -0.382 -44.031 -11.862 1.00 22.35 C ATOM 970 OE1 GLN A 60 -0.648 -45.119 -12.373 1.00 73.12 O ATOM 971 NE2 GLN A 60 0.859 -43.569 -11.769 1.00 4.30 N ATOM 0 H GLN A 60 -3.019 -44.005 -7.945 1.00 35.41 H new ATOM 0 HA GLN A 60 -3.227 -41.956 -9.890 1.00 51.52 H new ATOM 0 HB2 GLN A 60 -1.780 -44.297 -9.522 1.00 21.02 H new ATOM 0 HB3 GLN A 60 -2.848 -44.724 -10.845 1.00 21.02 H new ATOM 0 HG2 GLN A 60 -2.075 -42.749 -12.120 1.00 41.00 H new ATOM 0 HG3 GLN A 60 -1.025 -42.293 -10.793 1.00 41.00 H new ATOM 0 HE21 GLN A 60 1.034 -42.661 -11.338 1.00 4.30 H new ATOM 0 HE22 GLN A 60 1.637 -44.122 -12.129 1.00 4.30 H new ATOM 980 N ASP A 61 -5.407 -44.431 -10.096 1.00 65.11 N ATOM 981 CA ASP A 61 -6.683 -44.821 -10.684 1.00 30.14 C ATOM 982 C ASP A 61 -7.792 -43.865 -10.257 1.00 53.53 C ATOM 983 O ASP A 61 -8.667 -43.519 -11.051 1.00 60.25 O ATOM 984 CB ASP A 61 -7.041 -46.251 -10.275 1.00 61.05 C ATOM 985 CG ASP A 61 -8.382 -46.692 -10.828 1.00 61.40 C ATOM 986 OD1 ASP A 61 -8.551 -46.669 -12.065 1.00 61.14 O ATOM 987 OD2 ASP A 61 -9.262 -47.062 -10.023 1.00 51.13 O ATOM 0 H ASP A 61 -5.025 -45.104 -9.432 1.00 65.11 H new ATOM 0 HA ASP A 61 -6.585 -44.775 -11.769 1.00 30.14 H new ATOM 0 HB2 ASP A 61 -6.265 -46.931 -10.626 1.00 61.05 H new ATOM 0 HB3 ASP A 61 -7.059 -46.321 -9.187 1.00 61.05 H new ATOM 992 N SER A 62 -7.750 -43.441 -8.998 1.00 40.01 N ATOM 993 CA SER A 62 -8.754 -42.528 -8.464 1.00 72.25 C ATOM 994 C SER A 62 -8.725 -41.195 -9.206 1.00 74.20 C ATOM 995 O SER A 62 -9.727 -40.771 -9.785 1.00 22.25 O ATOM 996 CB SER A 62 -8.522 -42.298 -6.970 1.00 33.42 C ATOM 997 OG SER A 62 -7.261 -41.697 -6.736 1.00 42.41 O ATOM 0 H SER A 62 -7.031 -43.715 -8.328 1.00 40.01 H new ATOM 0 HA SER A 62 -9.735 -42.982 -8.606 1.00 72.25 H new ATOM 0 HB2 SER A 62 -9.311 -41.662 -6.570 1.00 33.42 H new ATOM 0 HB3 SER A 62 -8.579 -43.248 -6.439 1.00 33.42 H new ATOM 0 HG SER A 62 -6.617 -42.017 -7.402 1.00 42.41 H new ATOM 1003 N LEU A 63 -7.571 -40.538 -9.185 1.00 22.55 N ATOM 1004 CA LEU A 63 -7.409 -39.253 -9.855 1.00 13.35 C ATOM 1005 C LEU A 63 -7.723 -39.371 -11.343 1.00 4.03 C ATOM 1006 O LEU A 63 -8.276 -38.452 -11.947 1.00 30.01 O ATOM 1007 CB LEU A 63 -5.985 -38.730 -9.662 1.00 23.15 C ATOM 1008 CG LEU A 63 -5.589 -38.373 -8.228 1.00 71.13 C ATOM 1009 CD1 LEU A 63 -4.177 -37.810 -8.189 1.00 10.21 C ATOM 1010 CD2 LEU A 63 -6.578 -37.381 -7.634 1.00 1.23 C ATOM 0 H LEU A 63 -6.733 -40.874 -8.711 1.00 22.55 H new ATOM 0 HA LEU A 63 -8.111 -38.548 -9.409 1.00 13.35 H new ATOM 0 HB2 LEU A 63 -5.290 -39.483 -10.033 1.00 23.15 H new ATOM 0 HB3 LEU A 63 -5.857 -37.844 -10.284 1.00 23.15 H new ATOM 0 HG LEU A 63 -5.612 -39.282 -7.627 1.00 71.13 H new ATOM 0 HD11 LEU A 63 -3.913 -37.562 -7.161 1.00 10.21 H new ATOM 0 HD12 LEU A 63 -3.478 -38.553 -8.574 1.00 10.21 H new ATOM 0 HD13 LEU A 63 -4.127 -36.911 -8.804 1.00 10.21 H new ATOM 0 HD21 LEU A 63 -6.281 -37.138 -6.614 1.00 1.23 H new ATOM 0 HD22 LEU A 63 -6.587 -36.472 -8.235 1.00 1.23 H new ATOM 0 HD23 LEU A 63 -7.575 -37.821 -7.627 1.00 1.23 H new ATOM 1022 N LYS A 64 -7.367 -40.509 -11.928 1.00 62.42 N ATOM 1023 CA LYS A 64 -7.612 -40.751 -13.345 1.00 34.11 C ATOM 1024 C LYS A 64 -9.104 -40.919 -13.618 1.00 2.42 C ATOM 1025 O LYS A 64 -9.648 -40.314 -14.541 1.00 55.44 O ATOM 1026 CB LYS A 64 -6.855 -41.997 -13.810 1.00 31.03 C ATOM 1027 CG LYS A 64 -6.959 -42.250 -15.304 1.00 4.32 C ATOM 1028 CD LYS A 64 -6.424 -43.622 -15.676 1.00 23.54 C ATOM 1029 CE LYS A 64 -7.425 -44.403 -16.513 1.00 34.03 C ATOM 1030 NZ LYS A 64 -6.776 -45.070 -17.675 1.00 75.02 N ATOM 0 H LYS A 64 -6.907 -41.279 -11.442 1.00 62.42 H new ATOM 0 HA LYS A 64 -7.253 -39.886 -13.903 1.00 34.11 H new ATOM 0 HB2 LYS A 64 -5.804 -41.895 -13.540 1.00 31.03 H new ATOM 0 HB3 LYS A 64 -7.239 -42.866 -13.275 1.00 31.03 H new ATOM 0 HG2 LYS A 64 -8.000 -42.168 -15.616 1.00 4.32 H new ATOM 0 HG3 LYS A 64 -6.403 -41.483 -15.843 1.00 4.32 H new ATOM 0 HD2 LYS A 64 -5.492 -43.512 -16.230 1.00 23.54 H new ATOM 0 HD3 LYS A 64 -6.192 -44.181 -14.770 1.00 23.54 H new ATOM 0 HE2 LYS A 64 -7.913 -45.153 -15.890 1.00 34.03 H new ATOM 0 HE3 LYS A 64 -8.204 -43.729 -16.870 1.00 34.03 H new ATOM 0 HZ1 LYS A 64 -7.492 -45.592 -18.220 1.00 75.02 H new ATOM 0 HZ2 LYS A 64 -6.332 -44.353 -18.284 1.00 75.02 H new ATOM 0 HZ3 LYS A 64 -6.050 -45.732 -17.334 1.00 75.02 H new ATOM 1044 N LYS A 65 -9.760 -41.742 -12.808 1.00 20.34 N ATOM 1045 CA LYS A 65 -11.189 -41.988 -12.959 1.00 52.21 C ATOM 1046 C LYS A 65 -11.973 -40.680 -12.916 1.00 34.24 C ATOM 1047 O LYS A 65 -12.794 -40.407 -13.792 1.00 21.21 O ATOM 1048 CB LYS A 65 -11.685 -42.929 -11.859 1.00 74.23 C ATOM 1049 CG LYS A 65 -13.044 -43.542 -12.151 1.00 32.14 C ATOM 1050 CD LYS A 65 -13.019 -44.376 -13.421 1.00 13.51 C ATOM 1051 CE LYS A 65 -13.572 -43.600 -14.607 1.00 60.31 C ATOM 1052 NZ LYS A 65 -15.025 -43.857 -14.809 1.00 61.02 N ATOM 0 H LYS A 65 -9.324 -42.251 -12.039 1.00 20.34 H new ATOM 0 HA LYS A 65 -11.351 -42.457 -13.929 1.00 52.21 H new ATOM 0 HB2 LYS A 65 -10.957 -43.728 -11.721 1.00 74.23 H new ATOM 0 HB3 LYS A 65 -11.738 -42.380 -10.919 1.00 74.23 H new ATOM 0 HG2 LYS A 65 -13.351 -44.166 -11.311 1.00 32.14 H new ATOM 0 HG3 LYS A 65 -13.787 -42.751 -12.249 1.00 32.14 H new ATOM 0 HD2 LYS A 65 -11.996 -44.687 -13.633 1.00 13.51 H new ATOM 0 HD3 LYS A 65 -13.604 -45.284 -13.273 1.00 13.51 H new ATOM 0 HE2 LYS A 65 -13.410 -42.534 -14.451 1.00 60.31 H new ATOM 0 HE3 LYS A 65 -13.025 -43.876 -15.509 1.00 60.31 H new ATOM 0 HZ1 LYS A 65 -15.162 -44.415 -15.676 1.00 61.02 H new ATOM 0 HZ2 LYS A 65 -15.401 -44.384 -13.995 1.00 61.02 H new ATOM 0 HZ3 LYS A 65 -15.529 -42.951 -14.898 1.00 61.02 H new ATOM 1066 N VAL A 66 -11.715 -39.874 -11.891 1.00 3.01 N ATOM 1067 CA VAL A 66 -12.395 -38.594 -11.735 1.00 5.42 C ATOM 1068 C VAL A 66 -12.047 -37.644 -12.876 1.00 21.21 C ATOM 1069 O VAL A 66 -12.920 -36.975 -13.427 1.00 32.20 O ATOM 1070 CB VAL A 66 -12.031 -37.925 -10.396 1.00 42.50 C ATOM 1071 CG1 VAL A 66 -10.525 -37.743 -10.281 1.00 60.50 C ATOM 1072 CG2 VAL A 66 -12.749 -36.591 -10.255 1.00 42.20 C ATOM 0 H VAL A 66 -11.040 -40.085 -11.156 1.00 3.01 H new ATOM 0 HA VAL A 66 -13.465 -38.800 -11.751 1.00 5.42 H new ATOM 0 HB VAL A 66 -12.357 -38.576 -9.585 1.00 42.50 H new ATOM 0 HG11 VAL A 66 -10.287 -37.269 -9.329 1.00 60.50 H new ATOM 0 HG12 VAL A 66 -10.036 -38.716 -10.334 1.00 60.50 H new ATOM 0 HG13 VAL A 66 -10.171 -37.114 -11.098 1.00 60.50 H new ATOM 0 HG21 VAL A 66 -12.481 -36.132 -9.303 1.00 42.20 H new ATOM 0 HG22 VAL A 66 -12.455 -35.932 -11.072 1.00 42.20 H new ATOM 0 HG23 VAL A 66 -13.826 -36.752 -10.289 1.00 42.20 H new ATOM 1082 N GLU A 67 -10.765 -37.592 -13.225 1.00 53.32 N ATOM 1083 CA GLU A 67 -10.302 -36.723 -14.301 1.00 75.22 C ATOM 1084 C GLU A 67 -11.139 -36.926 -15.562 1.00 3.35 C ATOM 1085 O GLU A 67 -11.746 -35.986 -16.075 1.00 73.12 O ATOM 1086 CB GLU A 67 -8.827 -36.993 -14.606 1.00 35.12 C ATOM 1087 CG GLU A 67 -7.870 -36.220 -13.714 1.00 55.22 C ATOM 1088 CD GLU A 67 -6.454 -36.757 -13.775 1.00 44.42 C ATOM 1089 OE1 GLU A 67 -5.784 -36.546 -14.808 1.00 72.25 O ATOM 1090 OE2 GLU A 67 -6.014 -37.387 -12.791 1.00 14.21 O ATOM 0 H GLU A 67 -10.030 -38.140 -12.779 1.00 53.32 H new ATOM 0 HA GLU A 67 -10.414 -35.690 -13.973 1.00 75.22 H new ATOM 0 HB2 GLU A 67 -8.631 -38.060 -14.496 1.00 35.12 H new ATOM 0 HB3 GLU A 67 -8.627 -36.738 -15.647 1.00 35.12 H new ATOM 0 HG2 GLU A 67 -7.870 -35.171 -14.010 1.00 55.22 H new ATOM 0 HG3 GLU A 67 -8.226 -36.260 -12.685 1.00 55.22 H new ATOM 1097 N LYS A 68 -11.164 -38.159 -16.055 1.00 55.15 N ATOM 1098 CA LYS A 68 -11.926 -38.487 -17.255 1.00 24.51 C ATOM 1099 C LYS A 68 -13.413 -38.219 -17.046 1.00 64.03 C ATOM 1100 O LYS A 68 -14.098 -37.735 -17.946 1.00 44.54 O ATOM 1101 CB LYS A 68 -11.710 -39.954 -17.635 1.00 63.10 C ATOM 1102 CG LYS A 68 -12.772 -40.888 -17.082 1.00 71.44 C ATOM 1103 CD LYS A 68 -13.994 -40.939 -17.984 1.00 61.04 C ATOM 1104 CE LYS A 68 -14.555 -42.349 -18.084 1.00 62.35 C ATOM 1105 NZ LYS A 68 -15.663 -42.437 -19.076 1.00 2.44 N ATOM 0 H LYS A 68 -10.666 -38.948 -15.643 1.00 55.15 H new ATOM 0 HA LYS A 68 -11.571 -37.851 -18.066 1.00 24.51 H new ATOM 0 HB2 LYS A 68 -11.692 -40.040 -18.721 1.00 63.10 H new ATOM 0 HB3 LYS A 68 -10.733 -40.274 -17.274 1.00 63.10 H new ATOM 0 HG2 LYS A 68 -12.356 -41.890 -16.974 1.00 71.44 H new ATOM 0 HG3 LYS A 68 -13.067 -40.556 -16.086 1.00 71.44 H new ATOM 0 HD2 LYS A 68 -14.761 -40.268 -17.598 1.00 61.04 H new ATOM 0 HD3 LYS A 68 -13.729 -40.581 -18.979 1.00 61.04 H new ATOM 0 HE2 LYS A 68 -13.759 -43.037 -18.367 1.00 62.35 H new ATOM 0 HE3 LYS A 68 -14.917 -42.666 -17.106 1.00 62.35 H new ATOM 0 HZ1 LYS A 68 -16.018 -43.414 -19.114 1.00 2.44 H new ATOM 0 HZ2 LYS A 68 -16.434 -41.799 -18.793 1.00 2.44 H new ATOM 0 HZ3 LYS A 68 -15.311 -42.159 -20.015 1.00 2.44 H new ATOM 1119 N ALA A 69 -13.905 -38.536 -15.853 1.00 43.21 N ATOM 1120 CA ALA A 69 -15.309 -38.325 -15.526 1.00 34.33 C ATOM 1121 C ALA A 69 -15.708 -36.867 -15.728 1.00 62.44 C ATOM 1122 O ALA A 69 -16.877 -36.560 -15.962 1.00 64.12 O ATOM 1123 CB ALA A 69 -15.588 -38.756 -14.093 1.00 62.33 C ATOM 0 H ALA A 69 -13.352 -38.940 -15.097 1.00 43.21 H new ATOM 0 HA ALA A 69 -15.908 -38.935 -16.201 1.00 34.33 H new ATOM 0 HB1 ALA A 69 -16.641 -38.593 -13.862 1.00 62.33 H new ATOM 0 HB2 ALA A 69 -15.351 -39.814 -13.979 1.00 62.33 H new ATOM 0 HB3 ALA A 69 -14.972 -38.170 -13.410 1.00 62.33 H new ATOM 1129 N SER A 70 -14.729 -35.973 -15.637 1.00 2.15 N ATOM 1130 CA SER A 70 -14.979 -34.546 -15.805 1.00 64.24 C ATOM 1131 C SER A 70 -14.275 -34.015 -17.050 1.00 62.15 C ATOM 1132 O SER A 70 -14.380 -32.833 -17.381 1.00 23.12 O ATOM 1133 CB SER A 70 -14.507 -33.775 -14.571 1.00 54.21 C ATOM 1134 OG SER A 70 -15.490 -33.796 -13.550 1.00 60.53 O ATOM 0 H SER A 70 -13.755 -36.211 -15.448 1.00 2.15 H new ATOM 0 HA SER A 70 -16.053 -34.402 -15.926 1.00 64.24 H new ATOM 0 HB2 SER A 70 -13.581 -34.212 -14.198 1.00 54.21 H new ATOM 0 HB3 SER A 70 -14.285 -32.744 -14.845 1.00 54.21 H new ATOM 0 HG SER A 70 -15.164 -33.298 -12.772 1.00 60.53 H new ATOM 1140 N LEU A 71 -13.557 -34.897 -17.738 1.00 10.33 N ATOM 1141 CA LEU A 71 -12.835 -34.518 -18.947 1.00 64.44 C ATOM 1142 C LEU A 71 -13.341 -35.305 -20.152 1.00 41.23 C ATOM 1143 O LEU A 71 -12.799 -35.193 -21.253 1.00 35.31 O ATOM 1144 CB LEU A 71 -11.334 -34.754 -18.764 1.00 34.11 C ATOM 1145 CG LEU A 71 -10.534 -33.579 -18.201 1.00 33.13 C ATOM 1146 CD1 LEU A 71 -10.813 -33.406 -16.716 1.00 30.54 C ATOM 1147 CD2 LEU A 71 -9.046 -33.781 -18.446 1.00 11.11 C ATOM 0 H LEU A 71 -13.460 -35.879 -17.479 1.00 10.33 H new ATOM 0 HA LEU A 71 -13.011 -33.458 -19.128 1.00 64.44 H new ATOM 0 HB2 LEU A 71 -11.199 -35.610 -18.103 1.00 34.11 H new ATOM 0 HB3 LEU A 71 -10.909 -35.027 -19.730 1.00 34.11 H new ATOM 0 HG LEU A 71 -10.847 -32.671 -18.717 1.00 33.13 H new ATOM 0 HD11 LEU A 71 -10.235 -32.565 -16.333 1.00 30.54 H new ATOM 0 HD12 LEU A 71 -11.875 -33.215 -16.565 1.00 30.54 H new ATOM 0 HD13 LEU A 71 -10.529 -34.314 -16.184 1.00 30.54 H new ATOM 0 HD21 LEU A 71 -8.492 -32.935 -18.039 1.00 11.11 H new ATOM 0 HD22 LEU A 71 -8.718 -34.699 -17.958 1.00 11.11 H new ATOM 0 HD23 LEU A 71 -8.860 -33.854 -19.518 1.00 11.11 H new ATOM 1159 N THR A 72 -14.385 -36.099 -19.938 1.00 30.41 N ATOM 1160 CA THR A 72 -14.966 -36.904 -21.006 1.00 4.53 C ATOM 1161 C THR A 72 -15.415 -36.029 -22.170 1.00 52.24 C ATOM 1162 O THR A 72 -15.422 -36.466 -23.320 1.00 44.54 O ATOM 1163 CB THR A 72 -16.167 -37.724 -20.501 1.00 74.20 C ATOM 1164 OG1 THR A 72 -16.906 -36.968 -19.535 1.00 22.12 O ATOM 1165 CG2 THR A 72 -15.706 -39.035 -19.882 1.00 0.11 C ATOM 0 H THR A 72 -14.846 -36.202 -19.034 1.00 30.41 H new ATOM 0 HA THR A 72 -14.188 -37.587 -21.347 1.00 4.53 H new ATOM 0 HB THR A 72 -16.808 -37.949 -21.353 1.00 74.20 H new ATOM 0 HG1 THR A 72 -16.563 -37.160 -18.637 1.00 22.12 H new ATOM 0 HG21 THR A 72 -16.572 -39.597 -19.533 1.00 0.11 H new ATOM 0 HG22 THR A 72 -15.170 -39.621 -20.629 1.00 0.11 H new ATOM 0 HG23 THR A 72 -15.045 -38.827 -19.041 1.00 0.11 H new ATOM 1173 N ASN A 73 -15.790 -34.791 -21.864 1.00 52.14 N ATOM 1174 CA ASN A 73 -16.241 -33.854 -22.887 1.00 74.21 C ATOM 1175 C ASN A 73 -16.023 -32.412 -22.439 1.00 25.42 C ATOM 1176 O ASN A 73 -16.721 -31.500 -22.882 1.00 14.12 O ATOM 1177 CB ASN A 73 -17.721 -34.083 -23.201 1.00 33.51 C ATOM 1178 CG ASN A 73 -18.331 -35.178 -22.346 1.00 42.21 C ATOM 1179 OD1 ASN A 73 -18.292 -36.355 -22.704 1.00 44.03 O ATOM 1180 ND2 ASN A 73 -18.899 -34.793 -21.209 1.00 43.01 N ATOM 0 H ASN A 73 -15.791 -34.413 -20.916 1.00 52.14 H new ATOM 0 HA ASN A 73 -15.653 -34.029 -23.788 1.00 74.21 H new ATOM 0 HB2 ASN A 73 -18.271 -33.155 -23.044 1.00 33.51 H new ATOM 0 HB3 ASN A 73 -17.830 -34.344 -24.254 1.00 33.51 H new ATOM 0 HD21 ASN A 73 -19.326 -35.484 -20.593 1.00 43.01 H new ATOM 0 HD22 ASN A 73 -18.908 -33.806 -20.952 1.00 43.01 H new ATOM 1187 N LEU A 74 -15.048 -32.214 -21.558 1.00 61.13 N ATOM 1188 CA LEU A 74 -14.735 -30.883 -21.050 1.00 14.13 C ATOM 1189 C LEU A 74 -13.300 -30.494 -21.388 1.00 23.13 C ATOM 1190 O LEU A 74 -12.642 -29.782 -20.628 1.00 52.53 O ATOM 1191 CB LEU A 74 -14.947 -30.831 -19.536 1.00 21.34 C ATOM 1192 CG LEU A 74 -16.262 -31.418 -19.021 1.00 51.42 C ATOM 1193 CD1 LEU A 74 -16.548 -30.930 -17.609 1.00 40.25 C ATOM 1194 CD2 LEU A 74 -17.408 -31.056 -19.955 1.00 33.13 C ATOM 0 H LEU A 74 -14.461 -32.958 -21.181 1.00 61.13 H new ATOM 0 HA LEU A 74 -15.407 -30.171 -21.530 1.00 14.13 H new ATOM 0 HB2 LEU A 74 -14.124 -31.360 -19.056 1.00 21.34 H new ATOM 0 HB3 LEU A 74 -14.887 -29.791 -19.217 1.00 21.34 H new ATOM 0 HG LEU A 74 -16.169 -32.504 -18.996 1.00 51.42 H new ATOM 0 HD11 LEU A 74 -17.488 -31.358 -17.259 1.00 40.25 H new ATOM 0 HD12 LEU A 74 -15.740 -31.239 -16.946 1.00 40.25 H new ATOM 0 HD13 LEU A 74 -16.622 -29.843 -17.608 1.00 40.25 H new ATOM 0 HD21 LEU A 74 -18.336 -31.482 -19.574 1.00 33.13 H new ATOM 0 HD22 LEU A 74 -17.502 -29.972 -20.012 1.00 33.13 H new ATOM 0 HD23 LEU A 74 -17.207 -31.455 -20.949 1.00 33.13 H new ATOM 1206 N THR A 75 -12.819 -30.965 -22.534 1.00 25.20 N ATOM 1207 CA THR A 75 -11.462 -30.666 -22.974 1.00 25.44 C ATOM 1208 C THR A 75 -11.144 -31.364 -24.291 1.00 71.50 C ATOM 1209 O THR A 75 -11.498 -32.524 -24.508 1.00 44.31 O ATOM 1210 CB THR A 75 -10.423 -31.090 -21.918 1.00 1.00 C ATOM 1211 OG1 THR A 75 -11.036 -31.936 -20.939 1.00 73.11 O ATOM 1212 CG2 THR A 75 -9.817 -29.873 -21.236 1.00 14.35 C ATOM 0 H THR A 75 -13.349 -31.555 -23.175 1.00 25.20 H new ATOM 0 HA THR A 75 -11.407 -29.587 -23.116 1.00 25.44 H new ATOM 0 HB THR A 75 -9.627 -31.638 -22.423 1.00 1.00 H new ATOM 0 HG1 THR A 75 -11.253 -32.801 -21.344 1.00 73.11 H new ATOM 0 HG21 THR A 75 -9.087 -30.197 -20.495 1.00 14.35 H new ATOM 0 HG22 THR A 75 -9.325 -29.246 -21.980 1.00 14.35 H new ATOM 0 HG23 THR A 75 -10.604 -29.302 -20.744 1.00 14.35 H new ATOM 1220 N PRO A 76 -10.460 -30.645 -25.193 1.00 55.12 N ATOM 1221 CA PRO A 76 -10.079 -31.176 -26.505 1.00 72.41 C ATOM 1222 C PRO A 76 -9.004 -32.253 -26.404 1.00 71.12 C ATOM 1223 O PRO A 76 -8.991 -33.204 -27.185 1.00 44.21 O ATOM 1224 CB PRO A 76 -9.539 -29.948 -27.242 1.00 24.31 C ATOM 1225 CG PRO A 76 -9.077 -29.032 -26.162 1.00 51.51 C ATOM 1226 CD PRO A 76 -10.007 -29.257 -25.002 1.00 24.11 C ATOM 0 HA PRO A 76 -10.917 -31.657 -27.009 1.00 72.41 H new ATOM 0 HB2 PRO A 76 -8.721 -30.216 -27.911 1.00 24.31 H new ATOM 0 HB3 PRO A 76 -10.311 -29.482 -27.853 1.00 24.31 H new ATOM 0 HG2 PRO A 76 -8.046 -29.247 -25.883 1.00 51.51 H new ATOM 0 HG3 PRO A 76 -9.108 -27.993 -26.491 1.00 51.51 H new ATOM 0 HD2 PRO A 76 -9.497 -29.128 -24.047 1.00 24.11 H new ATOM 0 HD3 PRO A 76 -10.842 -28.556 -25.014 1.00 24.11 H new ATOM 1234 N GLU A 77 -8.105 -32.097 -25.437 1.00 52.33 N ATOM 1235 CA GLU A 77 -7.026 -33.057 -25.236 1.00 12.42 C ATOM 1236 C GLU A 77 -7.562 -34.485 -25.236 1.00 70.55 C ATOM 1237 O GLU A 77 -7.127 -35.324 -26.027 1.00 45.42 O ATOM 1238 CB GLU A 77 -6.301 -32.773 -23.919 1.00 3.02 C ATOM 1239 CG GLU A 77 -5.211 -31.721 -24.039 1.00 22.24 C ATOM 1240 CD GLU A 77 -3.836 -32.327 -24.246 1.00 10.42 C ATOM 1241 OE1 GLU A 77 -3.456 -33.218 -23.458 1.00 33.21 O ATOM 1242 OE2 GLU A 77 -3.140 -31.909 -25.195 1.00 32.12 O ATOM 0 H GLU A 77 -8.103 -31.316 -24.781 1.00 52.33 H new ATOM 0 HA GLU A 77 -6.321 -32.952 -26.061 1.00 12.42 H new ATOM 0 HB2 GLU A 77 -7.029 -32.447 -23.176 1.00 3.02 H new ATOM 0 HB3 GLU A 77 -5.861 -33.699 -23.549 1.00 3.02 H new ATOM 0 HG2 GLU A 77 -5.441 -31.058 -24.873 1.00 22.24 H new ATOM 0 HG3 GLU A 77 -5.202 -31.108 -23.138 1.00 22.24 H new ATOM 1249 N LEU A 78 -8.509 -34.756 -24.345 1.00 22.31 N ATOM 1250 CA LEU A 78 -9.105 -36.084 -24.241 1.00 42.31 C ATOM 1251 C LEU A 78 -9.606 -36.563 -25.599 1.00 72.35 C ATOM 1252 O LEU A 78 -9.187 -37.610 -26.094 1.00 44.45 O ATOM 1253 CB LEU A 78 -10.257 -36.070 -23.235 1.00 53.43 C ATOM 1254 CG LEU A 78 -9.866 -36.212 -21.764 1.00 41.40 C ATOM 1255 CD1 LEU A 78 -9.179 -37.546 -21.521 1.00 30.42 C ATOM 1256 CD2 LEU A 78 -8.966 -35.061 -21.338 1.00 64.02 C ATOM 0 H LEU A 78 -8.881 -34.074 -23.684 1.00 22.31 H new ATOM 0 HA LEU A 78 -8.336 -36.775 -23.894 1.00 42.31 H new ATOM 0 HB2 LEU A 78 -10.807 -35.136 -23.355 1.00 53.43 H new ATOM 0 HB3 LEU A 78 -10.943 -36.879 -23.487 1.00 53.43 H new ATOM 0 HG LEU A 78 -10.774 -36.179 -21.162 1.00 41.40 H new ATOM 0 HD11 LEU A 78 -8.908 -37.629 -20.469 1.00 30.42 H new ATOM 0 HD12 LEU A 78 -9.856 -38.358 -21.787 1.00 30.42 H new ATOM 0 HD13 LEU A 78 -8.279 -37.609 -22.133 1.00 30.42 H new ATOM 0 HD21 LEU A 78 -8.698 -35.178 -20.288 1.00 64.02 H new ATOM 0 HD22 LEU A 78 -8.061 -35.062 -21.946 1.00 64.02 H new ATOM 0 HD23 LEU A 78 -9.494 -34.117 -21.474 1.00 64.02 H new ATOM 1268 N LYS A 79 -10.505 -35.790 -26.199 1.00 71.12 N ATOM 1269 CA LYS A 79 -11.062 -36.133 -27.502 1.00 41.34 C ATOM 1270 C LYS A 79 -9.966 -36.592 -28.459 1.00 1.41 C ATOM 1271 O LYS A 79 -10.169 -37.506 -29.257 1.00 42.24 O ATOM 1272 CB LYS A 79 -11.801 -34.931 -28.096 1.00 32.31 C ATOM 1273 CG LYS A 79 -13.208 -34.753 -27.551 1.00 62.12 C ATOM 1274 CD LYS A 79 -14.051 -33.875 -28.461 1.00 20.41 C ATOM 1275 CE LYS A 79 -13.979 -32.413 -28.048 1.00 31.31 C ATOM 1276 NZ LYS A 79 -15.329 -31.790 -27.978 1.00 55.51 N ATOM 0 H LYS A 79 -10.864 -34.921 -25.803 1.00 71.12 H new ATOM 0 HA LYS A 79 -11.766 -36.953 -27.363 1.00 41.34 H new ATOM 0 HB2 LYS A 79 -11.226 -34.027 -27.897 1.00 32.31 H new ATOM 0 HB3 LYS A 79 -11.851 -35.045 -29.179 1.00 32.31 H new ATOM 0 HG2 LYS A 79 -13.683 -35.728 -27.442 1.00 62.12 H new ATOM 0 HG3 LYS A 79 -13.161 -34.309 -26.557 1.00 62.12 H new ATOM 0 HD2 LYS A 79 -13.708 -33.981 -29.490 1.00 20.41 H new ATOM 0 HD3 LYS A 79 -15.088 -34.211 -28.434 1.00 20.41 H new ATOM 0 HE2 LYS A 79 -13.492 -32.334 -27.076 1.00 31.31 H new ATOM 0 HE3 LYS A 79 -13.362 -31.864 -28.760 1.00 31.31 H new ATOM 0 HZ1 LYS A 79 -15.237 -30.794 -27.693 1.00 55.51 H new ATOM 0 HZ2 LYS A 79 -15.785 -31.843 -28.911 1.00 55.51 H new ATOM 0 HZ3 LYS A 79 -15.910 -32.297 -27.280 1.00 55.51 H new ATOM 1290 N ALA A 80 -8.804 -35.952 -28.371 1.00 72.10 N ATOM 1291 CA ALA A 80 -7.675 -36.297 -29.226 1.00 75.52 C ATOM 1292 C ALA A 80 -7.112 -37.667 -28.864 1.00 64.33 C ATOM 1293 O ALA A 80 -6.878 -38.503 -29.737 1.00 74.41 O ATOM 1294 CB ALA A 80 -6.592 -35.235 -29.124 1.00 45.42 C ATOM 0 H ALA A 80 -8.620 -35.192 -27.716 1.00 72.10 H new ATOM 0 HA ALA A 80 -8.030 -36.339 -30.256 1.00 75.52 H new ATOM 0 HB1 ALA A 80 -5.755 -35.506 -29.768 1.00 45.42 H new ATOM 0 HB2 ALA A 80 -6.995 -34.273 -29.439 1.00 45.42 H new ATOM 0 HB3 ALA A 80 -6.248 -35.164 -28.092 1.00 45.42 H new ATOM 1300 N SER A 81 -6.894 -37.890 -27.572 1.00 42.01 N ATOM 1301 CA SER A 81 -6.353 -39.157 -27.095 1.00 64.44 C ATOM 1302 C SER A 81 -7.308 -40.306 -27.403 1.00 70.25 C ATOM 1303 O SER A 81 -6.900 -41.346 -27.921 1.00 2.52 O ATOM 1304 CB SER A 81 -6.088 -39.089 -25.590 1.00 64.12 C ATOM 1305 OG SER A 81 -4.906 -38.358 -25.313 1.00 43.11 O ATOM 0 H SER A 81 -7.084 -37.209 -26.837 1.00 42.01 H new ATOM 0 HA SER A 81 -5.412 -39.340 -27.614 1.00 64.44 H new ATOM 0 HB2 SER A 81 -6.935 -38.620 -25.089 1.00 64.12 H new ATOM 0 HB3 SER A 81 -5.998 -40.098 -25.187 1.00 64.12 H new ATOM 0 HG SER A 81 -4.760 -38.327 -24.344 1.00 43.11 H new ATOM 1311 N MET A 82 -8.582 -40.110 -27.081 1.00 74.23 N ATOM 1312 CA MET A 82 -9.597 -41.129 -27.324 1.00 71.03 C ATOM 1313 C MET A 82 -9.760 -41.389 -28.819 1.00 3.24 C ATOM 1314 O MET A 82 -9.912 -42.533 -29.246 1.00 73.12 O ATOM 1315 CB MET A 82 -10.936 -40.700 -26.721 1.00 21.23 C ATOM 1316 CG MET A 82 -10.814 -40.122 -25.320 1.00 23.50 C ATOM 1317 SD MET A 82 -11.998 -40.841 -24.166 1.00 75.44 S ATOM 1318 CE MET A 82 -11.063 -42.237 -23.545 1.00 45.54 C ATOM 0 H MET A 82 -8.936 -39.255 -26.651 1.00 74.23 H new ATOM 0 HA MET A 82 -9.270 -42.052 -26.846 1.00 71.03 H new ATOM 0 HB2 MET A 82 -11.397 -39.958 -27.372 1.00 21.23 H new ATOM 0 HB3 MET A 82 -11.605 -41.560 -26.693 1.00 21.23 H new ATOM 0 HG2 MET A 82 -9.803 -40.290 -24.949 1.00 23.50 H new ATOM 0 HG3 MET A 82 -10.963 -39.043 -25.362 1.00 23.50 H new ATOM 0 HE1 MET A 82 -11.664 -42.783 -22.818 1.00 45.54 H new ATOM 0 HE2 MET A 82 -10.804 -42.898 -24.372 1.00 45.54 H new ATOM 0 HE3 MET A 82 -10.151 -41.880 -23.067 1.00 45.54 H new ATOM 1328 N ASP A 83 -9.726 -40.320 -29.607 1.00 74.32 N ATOM 1329 CA ASP A 83 -9.869 -40.433 -31.054 1.00 74.21 C ATOM 1330 C ASP A 83 -8.744 -41.274 -31.647 1.00 65.44 C ATOM 1331 O ASP A 83 -8.973 -42.102 -32.528 1.00 72.14 O ATOM 1332 CB ASP A 83 -9.879 -39.045 -31.697 1.00 20.31 C ATOM 1333 CG ASP A 83 -11.257 -38.414 -31.691 1.00 74.34 C ATOM 1334 OD1 ASP A 83 -12.253 -39.164 -31.770 1.00 1.12 O ATOM 1335 OD2 ASP A 83 -11.341 -37.171 -31.610 1.00 2.34 O ATOM 0 H ASP A 83 -9.601 -39.366 -29.269 1.00 74.32 H new ATOM 0 HA ASP A 83 -10.817 -40.928 -31.263 1.00 74.21 H new ATOM 0 HB2 ASP A 83 -9.183 -38.396 -31.165 1.00 20.31 H new ATOM 0 HB3 ASP A 83 -9.522 -39.121 -32.724 1.00 20.31 H new ATOM 1340 N GLU A 84 -7.527 -41.055 -31.159 1.00 1.13 N ATOM 1341 CA GLU A 84 -6.366 -41.792 -31.643 1.00 24.02 C ATOM 1342 C GLU A 84 -6.411 -43.245 -31.178 1.00 41.12 C ATOM 1343 O GLU A 84 -6.005 -44.154 -31.904 1.00 3.32 O ATOM 1344 CB GLU A 84 -5.075 -41.130 -31.157 1.00 4.20 C ATOM 1345 CG GLU A 84 -4.534 -40.077 -32.110 1.00 73.24 C ATOM 1346 CD GLU A 84 -3.054 -40.250 -32.392 1.00 54.02 C ATOM 1347 OE1 GLU A 84 -2.709 -41.088 -33.251 1.00 44.25 O ATOM 1348 OE2 GLU A 84 -2.242 -39.548 -31.754 1.00 34.21 O ATOM 0 H GLU A 84 -7.320 -40.373 -30.429 1.00 1.13 H new ATOM 0 HA GLU A 84 -6.386 -41.776 -32.733 1.00 24.02 H new ATOM 0 HB2 GLU A 84 -5.256 -40.670 -30.186 1.00 4.20 H new ATOM 0 HB3 GLU A 84 -4.316 -41.898 -31.009 1.00 4.20 H new ATOM 0 HG2 GLU A 84 -5.087 -40.123 -33.048 1.00 73.24 H new ATOM 0 HG3 GLU A 84 -4.706 -39.087 -31.687 1.00 73.24 H new ATOM 1355 N LEU A 85 -6.907 -43.456 -29.964 1.00 71.22 N ATOM 1356 CA LEU A 85 -7.006 -44.798 -29.401 1.00 63.30 C ATOM 1357 C LEU A 85 -8.125 -45.589 -30.071 1.00 21.12 C ATOM 1358 O LEU A 85 -8.022 -46.803 -30.246 1.00 65.30 O ATOM 1359 CB LEU A 85 -7.251 -44.723 -27.893 1.00 23.10 C ATOM 1360 CG LEU A 85 -6.014 -44.862 -27.004 1.00 52.23 C ATOM 1361 CD1 LEU A 85 -5.379 -43.502 -26.758 1.00 24.40 C ATOM 1362 CD2 LEU A 85 -6.377 -45.530 -25.686 1.00 11.31 C ATOM 0 H LEU A 85 -7.247 -42.715 -29.351 1.00 71.22 H new ATOM 0 HA LEU A 85 -6.063 -45.312 -29.584 1.00 63.30 H new ATOM 0 HB2 LEU A 85 -7.729 -43.769 -27.670 1.00 23.10 H new ATOM 0 HB3 LEU A 85 -7.959 -45.506 -27.621 1.00 23.10 H new ATOM 0 HG LEU A 85 -5.288 -45.491 -27.519 1.00 52.23 H new ATOM 0 HD11 LEU A 85 -4.500 -43.620 -26.124 1.00 24.40 H new ATOM 0 HD12 LEU A 85 -5.083 -43.061 -27.710 1.00 24.40 H new ATOM 0 HD13 LEU A 85 -6.098 -42.849 -26.264 1.00 24.40 H new ATOM 0 HD21 LEU A 85 -5.485 -45.621 -25.066 1.00 11.31 H new ATOM 0 HD22 LEU A 85 -7.121 -44.927 -25.165 1.00 11.31 H new ATOM 0 HD23 LEU A 85 -6.786 -46.522 -25.881 1.00 11.31 H new ATOM 1374 N ARG A 86 -9.193 -44.892 -30.445 1.00 21.11 N ATOM 1375 CA ARG A 86 -10.331 -45.529 -31.097 1.00 20.05 C ATOM 1376 C ARG A 86 -9.987 -45.919 -32.531 1.00 75.41 C ATOM 1377 O ARG A 86 -10.195 -47.062 -32.939 1.00 45.34 O ATOM 1378 CB ARG A 86 -11.541 -44.593 -31.087 1.00 43.32 C ATOM 1379 CG ARG A 86 -12.869 -45.316 -30.935 1.00 11.51 C ATOM 1380 CD ARG A 86 -13.647 -44.805 -29.732 1.00 4.30 C ATOM 1381 NE ARG A 86 -15.072 -44.668 -30.019 1.00 41.14 N ATOM 1382 CZ ARG A 86 -15.925 -45.686 -30.006 1.00 53.22 C ATOM 1383 NH1 ARG A 86 -15.499 -46.909 -29.721 1.00 14.51 N ATOM 1384 NH2 ARG A 86 -17.208 -45.481 -30.278 1.00 62.54 N ATOM 0 H ARG A 86 -9.294 -43.886 -30.308 1.00 21.11 H new ATOM 0 HA ARG A 86 -10.576 -46.434 -30.542 1.00 20.05 H new ATOM 0 HB2 ARG A 86 -11.430 -43.879 -30.271 1.00 43.32 H new ATOM 0 HB3 ARG A 86 -11.553 -44.019 -32.014 1.00 43.32 H new ATOM 0 HG2 ARG A 86 -13.464 -45.181 -31.838 1.00 11.51 H new ATOM 0 HG3 ARG A 86 -12.692 -46.386 -30.827 1.00 11.51 H new ATOM 0 HD2 ARG A 86 -13.510 -45.489 -28.895 1.00 4.30 H new ATOM 0 HD3 ARG A 86 -13.245 -43.840 -29.424 1.00 4.30 H new ATOM 0 HE ARG A 86 -15.432 -43.740 -30.242 1.00 41.14 H new ATOM 0 HH11 ARG A 86 -14.514 -47.070 -29.511 1.00 14.51 H new ATOM 0 HH12 ARG A 86 -16.156 -47.689 -29.712 1.00 14.51 H new ATOM 0 HH21 ARG A 86 -17.539 -44.541 -30.497 1.00 62.54 H new ATOM 0 HH22 ARG A 86 -17.863 -46.263 -30.268 1.00 62.54 H new ATOM 1398 N GLN A 87 -9.463 -44.963 -33.290 1.00 4.32 N ATOM 1399 CA GLN A 87 -9.092 -45.207 -34.679 1.00 10.13 C ATOM 1400 C GLN A 87 -7.983 -46.250 -34.771 1.00 34.21 C ATOM 1401 O GLN A 87 -8.019 -47.134 -35.626 1.00 52.05 O ATOM 1402 CB GLN A 87 -8.641 -43.906 -35.345 1.00 2.35 C ATOM 1403 CG GLN A 87 -9.712 -42.827 -35.361 1.00 30.24 C ATOM 1404 CD GLN A 87 -10.120 -42.431 -36.766 1.00 33.12 C ATOM 1405 OE1 GLN A 87 -10.913 -43.118 -37.411 1.00 43.13 O ATOM 1406 NE2 GLN A 87 -9.580 -41.318 -37.248 1.00 12.01 N ATOM 0 H GLN A 87 -9.286 -44.012 -32.967 1.00 4.32 H new ATOM 0 HA GLN A 87 -9.969 -45.589 -35.201 1.00 10.13 H new ATOM 0 HB2 GLN A 87 -7.762 -43.526 -34.823 1.00 2.35 H new ATOM 0 HB3 GLN A 87 -8.336 -44.119 -36.370 1.00 2.35 H new ATOM 0 HG2 GLN A 87 -10.588 -43.182 -34.819 1.00 30.24 H new ATOM 0 HG3 GLN A 87 -9.344 -41.948 -34.832 1.00 30.24 H new ATOM 0 HE21 GLN A 87 -8.927 -40.780 -36.678 1.00 12.01 H new ATOM 0 HE22 GLN A 87 -9.818 -41.001 -38.188 1.00 12.01 H new ATOM 1415 N ALA A 88 -6.999 -46.141 -33.884 1.00 53.45 N ATOM 1416 CA ALA A 88 -5.881 -47.075 -33.865 1.00 72.50 C ATOM 1417 C ALA A 88 -6.341 -48.473 -33.464 1.00 60.12 C ATOM 1418 O ALA A 88 -5.957 -49.465 -34.084 1.00 0.43 O ATOM 1419 CB ALA A 88 -4.797 -46.582 -32.918 1.00 34.42 C ATOM 0 H ALA A 88 -6.954 -45.415 -33.169 1.00 53.45 H new ATOM 0 HA ALA A 88 -5.469 -47.131 -34.873 1.00 72.50 H new ATOM 0 HB1 ALA A 88 -3.968 -47.290 -32.914 1.00 34.42 H new ATOM 0 HB2 ALA A 88 -4.440 -45.607 -33.250 1.00 34.42 H new ATOM 0 HB3 ALA A 88 -5.205 -46.496 -31.911 1.00 34.42 H new ATOM 1425 N ALA A 89 -7.165 -48.544 -32.424 1.00 22.23 N ATOM 1426 CA ALA A 89 -7.678 -49.820 -31.941 1.00 63.53 C ATOM 1427 C ALA A 89 -8.626 -50.450 -32.956 1.00 14.31 C ATOM 1428 O ALA A 89 -8.570 -51.653 -33.208 1.00 52.30 O ATOM 1429 CB ALA A 89 -8.379 -49.636 -30.604 1.00 0.22 C ATOM 0 H ALA A 89 -7.492 -47.732 -31.900 1.00 22.23 H new ATOM 0 HA ALA A 89 -6.833 -50.495 -31.805 1.00 63.53 H new ATOM 0 HB1 ALA A 89 -8.757 -50.597 -30.256 1.00 0.22 H new ATOM 0 HB2 ALA A 89 -7.673 -49.238 -29.875 1.00 0.22 H new ATOM 0 HB3 ALA A 89 -9.210 -48.941 -30.722 1.00 0.22 H new ATOM 1435 N GLU A 90 -9.497 -49.628 -33.534 1.00 32.12 N ATOM 1436 CA GLU A 90 -10.459 -50.106 -34.520 1.00 31.31 C ATOM 1437 C GLU A 90 -9.756 -50.521 -35.809 1.00 51.43 C ATOM 1438 O GLU A 90 -9.993 -51.608 -36.336 1.00 42.54 O ATOM 1439 CB GLU A 90 -11.498 -49.024 -34.818 1.00 15.41 C ATOM 1440 CG GLU A 90 -12.643 -48.988 -33.820 1.00 13.45 C ATOM 1441 CD GLU A 90 -13.458 -47.712 -33.912 1.00 31.11 C ATOM 1442 OE1 GLU A 90 -12.858 -46.619 -33.859 1.00 4.32 O ATOM 1443 OE2 GLU A 90 -14.697 -47.808 -34.038 1.00 30.12 O ATOM 0 H GLU A 90 -9.556 -48.629 -33.336 1.00 32.12 H new ATOM 0 HA GLU A 90 -10.963 -50.978 -34.105 1.00 31.31 H new ATOM 0 HB2 GLU A 90 -11.005 -48.052 -34.828 1.00 15.41 H new ATOM 0 HB3 GLU A 90 -11.903 -49.186 -35.817 1.00 15.41 H new ATOM 0 HG2 GLU A 90 -13.295 -49.844 -33.990 1.00 13.45 H new ATOM 0 HG3 GLU A 90 -12.243 -49.087 -32.811 1.00 13.45 H new ATOM 1450 N SER A 91 -8.891 -49.646 -36.312 1.00 41.41 N ATOM 1451 CA SER A 91 -8.156 -49.918 -37.542 1.00 12.40 C ATOM 1452 C SER A 91 -7.361 -51.214 -37.424 1.00 70.33 C ATOM 1453 O SER A 91 -7.354 -52.036 -38.340 1.00 42.15 O ATOM 1454 CB SER A 91 -7.215 -48.756 -37.866 1.00 24.11 C ATOM 1455 OG SER A 91 -6.154 -48.683 -36.929 1.00 61.01 O ATOM 0 H SER A 91 -8.682 -48.743 -35.887 1.00 41.41 H new ATOM 0 HA SER A 91 -8.878 -50.028 -38.351 1.00 12.40 H new ATOM 0 HB2 SER A 91 -6.810 -48.881 -38.870 1.00 24.11 H new ATOM 0 HB3 SER A 91 -7.773 -47.820 -37.862 1.00 24.11 H new ATOM 0 HG SER A 91 -6.476 -48.268 -36.102 1.00 61.01 H new ATOM 1461 N MET A 92 -6.692 -51.390 -36.289 1.00 52.14 N ATOM 1462 CA MET A 92 -5.894 -52.587 -36.050 1.00 52.14 C ATOM 1463 C MET A 92 -6.782 -53.824 -35.965 1.00 73.23 C ATOM 1464 O MET A 92 -6.486 -54.857 -36.567 1.00 5.24 O ATOM 1465 CB MET A 92 -5.084 -52.437 -34.761 1.00 41.35 C ATOM 1466 CG MET A 92 -3.660 -51.956 -34.991 1.00 73.12 C ATOM 1467 SD MET A 92 -2.629 -52.112 -33.521 1.00 2.15 S ATOM 1468 CE MET A 92 -3.702 -51.397 -32.277 1.00 44.33 C ATOM 0 H MET A 92 -6.687 -50.719 -35.521 1.00 52.14 H new ATOM 0 HA MET A 92 -5.209 -52.710 -36.889 1.00 52.14 H new ATOM 0 HB2 MET A 92 -5.594 -51.735 -34.101 1.00 41.35 H new ATOM 0 HB3 MET A 92 -5.056 -53.397 -34.245 1.00 41.35 H new ATOM 0 HG2 MET A 92 -3.214 -52.528 -35.805 1.00 73.12 H new ATOM 0 HG3 MET A 92 -3.679 -50.913 -35.307 1.00 73.12 H new ATOM 0 HE1 MET A 92 -3.130 -51.208 -31.368 1.00 44.33 H new ATOM 0 HE2 MET A 92 -4.114 -50.458 -32.648 1.00 44.33 H new ATOM 0 HE3 MET A 92 -4.515 -52.089 -32.057 1.00 44.33 H new ATOM 1478 N LYS A 93 -7.873 -53.714 -35.215 1.00 0.35 N ATOM 1479 CA LYS A 93 -8.805 -54.823 -35.051 1.00 14.41 C ATOM 1480 C LYS A 93 -9.504 -55.145 -36.368 1.00 12.30 C ATOM 1481 O LYS A 93 -10.002 -56.254 -36.562 1.00 53.31 O ATOM 1482 CB LYS A 93 -9.845 -54.488 -33.979 1.00 23.05 C ATOM 1483 CG LYS A 93 -11.145 -53.940 -34.541 1.00 62.43 C ATOM 1484 CD LYS A 93 -12.144 -55.051 -34.819 1.00 20.02 C ATOM 1485 CE LYS A 93 -13.461 -54.809 -34.097 1.00 23.43 C ATOM 1486 NZ LYS A 93 -14.263 -53.739 -34.750 1.00 54.12 N ATOM 0 H LYS A 93 -8.134 -52.867 -34.710 1.00 0.35 H new ATOM 0 HA LYS A 93 -8.237 -55.699 -34.737 1.00 14.41 H new ATOM 0 HB2 LYS A 93 -10.060 -55.386 -33.400 1.00 23.05 H new ATOM 0 HB3 LYS A 93 -9.421 -53.758 -33.289 1.00 23.05 H new ATOM 0 HG2 LYS A 93 -11.576 -53.229 -33.836 1.00 62.43 H new ATOM 0 HG3 LYS A 93 -10.942 -53.393 -35.462 1.00 62.43 H new ATOM 0 HD2 LYS A 93 -12.323 -55.121 -35.892 1.00 20.02 H new ATOM 0 HD3 LYS A 93 -11.725 -56.006 -34.503 1.00 20.02 H new ATOM 0 HE2 LYS A 93 -14.038 -55.733 -34.075 1.00 23.43 H new ATOM 0 HE3 LYS A 93 -13.262 -54.533 -33.061 1.00 23.43 H new ATOM 0 HZ1 LYS A 93 -15.152 -53.604 -34.228 1.00 54.12 H new ATOM 0 HZ2 LYS A 93 -13.723 -52.850 -34.748 1.00 54.12 H new ATOM 0 HZ3 LYS A 93 -14.475 -54.013 -35.730 1.00 54.12 H new ATOM 1500 N ARG A 94 -9.536 -54.169 -37.270 1.00 22.11 N ATOM 1501 CA ARG A 94 -10.173 -54.350 -38.569 1.00 12.34 C ATOM 1502 C ARG A 94 -9.231 -55.049 -39.544 1.00 40.32 C ATOM 1503 O ARG A 94 -9.661 -55.860 -40.364 1.00 64.12 O ATOM 1504 CB ARG A 94 -10.606 -52.998 -39.140 1.00 61.34 C ATOM 1505 CG ARG A 94 -11.212 -53.091 -40.531 1.00 72.51 C ATOM 1506 CD ARG A 94 -12.184 -51.952 -40.792 1.00 53.45 C ATOM 1507 NE ARG A 94 -11.848 -51.213 -42.006 1.00 43.34 N ATOM 1508 CZ ARG A 94 -12.506 -50.135 -42.417 1.00 12.52 C ATOM 1509 NH1 ARG A 94 -13.531 -49.672 -41.714 1.00 3.11 N ATOM 1510 NH2 ARG A 94 -12.140 -49.517 -43.532 1.00 42.54 N ATOM 0 H ARG A 94 -9.128 -53.245 -37.125 1.00 22.11 H new ATOM 0 HA ARG A 94 -11.054 -54.977 -38.430 1.00 12.34 H new ATOM 0 HB2 ARG A 94 -11.332 -52.544 -38.466 1.00 61.34 H new ATOM 0 HB3 ARG A 94 -9.743 -52.333 -39.173 1.00 61.34 H new ATOM 0 HG2 ARG A 94 -10.418 -53.071 -41.277 1.00 72.51 H new ATOM 0 HG3 ARG A 94 -11.729 -54.044 -40.641 1.00 72.51 H new ATOM 0 HD2 ARG A 94 -13.195 -52.351 -40.878 1.00 53.45 H new ATOM 0 HD3 ARG A 94 -12.182 -51.271 -39.941 1.00 53.45 H new ATOM 0 HE ARG A 94 -11.064 -51.543 -42.570 1.00 43.34 H new ATOM 0 HH11 ARG A 94 -13.815 -50.144 -40.856 1.00 3.11 H new ATOM 0 HH12 ARG A 94 -14.035 -48.844 -42.032 1.00 3.11 H new ATOM 0 HH21 ARG A 94 -11.352 -49.870 -44.075 1.00 42.54 H new ATOM 0 HH22 ARG A 94 -12.647 -48.689 -43.846 1.00 42.54 H new ATOM 1524 N SER A 95 -7.945 -54.728 -39.449 1.00 44.45 N ATOM 1525 CA SER A 95 -6.942 -55.321 -40.326 1.00 60.23 C ATOM 1526 C SER A 95 -6.358 -56.587 -39.705 1.00 51.44 C ATOM 1527 O SER A 95 -5.567 -57.291 -40.333 1.00 22.24 O ATOM 1528 CB SER A 95 -5.824 -54.317 -40.611 1.00 40.42 C ATOM 1529 OG SER A 95 -6.295 -52.985 -40.501 1.00 40.41 O ATOM 0 H SER A 95 -7.573 -54.060 -38.774 1.00 44.45 H new ATOM 0 HA SER A 95 -7.428 -55.588 -41.264 1.00 60.23 H new ATOM 0 HB2 SER A 95 -5.003 -54.475 -39.912 1.00 40.42 H new ATOM 0 HB3 SER A 95 -5.427 -54.484 -41.612 1.00 40.42 H new ATOM 0 HG SER A 95 -6.311 -52.720 -39.558 1.00 40.41 H new ATOM 1535 N TYR A 96 -6.754 -56.868 -38.469 1.00 71.21 N ATOM 1536 CA TYR A 96 -6.269 -58.047 -37.761 1.00 10.20 C ATOM 1537 C TYR A 96 -7.391 -59.061 -37.559 1.00 2.24 C ATOM 1538 O TYR A 96 -7.310 -60.196 -38.029 1.00 12.31 O ATOM 1539 CB TYR A 96 -5.677 -57.647 -36.408 1.00 74.32 C ATOM 1540 CG TYR A 96 -5.379 -58.824 -35.506 1.00 54.34 C ATOM 1541 CD1 TYR A 96 -5.176 -60.093 -36.032 1.00 63.52 C ATOM 1542 CD2 TYR A 96 -5.300 -58.665 -34.128 1.00 74.12 C ATOM 1543 CE1 TYR A 96 -4.904 -61.171 -35.212 1.00 21.22 C ATOM 1544 CE2 TYR A 96 -5.028 -59.737 -33.300 1.00 43.22 C ATOM 1545 CZ TYR A 96 -4.831 -60.988 -33.847 1.00 3.23 C ATOM 1546 OH TYR A 96 -4.559 -62.059 -33.026 1.00 42.43 O ATOM 0 H TYR A 96 -7.409 -56.296 -37.936 1.00 71.21 H new ATOM 0 HA TYR A 96 -5.491 -58.510 -38.368 1.00 10.20 H new ATOM 0 HB2 TYR A 96 -4.758 -57.086 -36.575 1.00 74.32 H new ATOM 0 HB3 TYR A 96 -6.372 -56.978 -35.900 1.00 74.32 H new ATOM 0 HD1 TYR A 96 -5.232 -60.240 -37.101 1.00 63.52 H new ATOM 0 HD2 TYR A 96 -5.454 -57.687 -33.697 1.00 74.12 H new ATOM 0 HE1 TYR A 96 -4.749 -62.152 -35.637 1.00 21.22 H new ATOM 0 HE2 TYR A 96 -4.970 -59.596 -32.231 1.00 43.22 H new ATOM 0 HH TYR A 96 -4.542 -61.760 -32.093 1.00 42.43 H new ATOM 1556 N VAL A 97 -8.438 -58.642 -36.855 1.00 72.31 N ATOM 1557 CA VAL A 97 -9.578 -59.512 -36.591 1.00 14.32 C ATOM 1558 C VAL A 97 -10.391 -59.753 -37.858 1.00 63.11 C ATOM 1559 O VAL A 97 -11.334 -60.543 -37.862 1.00 31.34 O ATOM 1560 CB VAL A 97 -10.499 -58.916 -35.509 1.00 74.24 C ATOM 1561 CG1 VAL A 97 -11.461 -59.972 -34.987 1.00 34.14 C ATOM 1562 CG2 VAL A 97 -9.676 -58.325 -34.375 1.00 62.22 C ATOM 0 H VAL A 97 -8.520 -57.706 -36.458 1.00 72.31 H new ATOM 0 HA VAL A 97 -9.177 -60.461 -36.235 1.00 14.32 H new ATOM 0 HB VAL A 97 -11.086 -58.114 -35.957 1.00 74.24 H new ATOM 0 HG11 VAL A 97 -12.104 -59.533 -34.224 1.00 34.14 H new ATOM 0 HG12 VAL A 97 -12.074 -60.343 -35.808 1.00 34.14 H new ATOM 0 HG13 VAL A 97 -10.896 -60.797 -34.555 1.00 34.14 H new ATOM 0 HG21 VAL A 97 -10.343 -57.909 -33.620 1.00 62.22 H new ATOM 0 HG22 VAL A 97 -9.062 -59.106 -33.926 1.00 62.22 H new ATOM 0 HG23 VAL A 97 -9.032 -57.537 -34.765 1.00 62.22 H new ATOM 1572 N ALA A 98 -10.017 -59.067 -38.933 1.00 73.24 N ATOM 1573 CA ALA A 98 -10.710 -59.209 -40.208 1.00 44.22 C ATOM 1574 C ALA A 98 -9.725 -59.188 -41.373 1.00 13.23 C ATOM 1575 O ALA A 98 -10.082 -58.823 -42.492 1.00 63.23 O ATOM 1576 CB ALA A 98 -11.746 -58.107 -40.371 1.00 74.21 C ATOM 0 H ALA A 98 -9.239 -58.408 -38.947 1.00 73.24 H new ATOM 0 HA ALA A 98 -11.218 -60.174 -40.212 1.00 44.22 H new ATOM 0 HB1 ALA A 98 -12.256 -58.225 -41.327 1.00 74.21 H new ATOM 0 HB2 ALA A 98 -12.474 -58.169 -39.562 1.00 74.21 H new ATOM 0 HB3 ALA A 98 -11.252 -57.136 -40.341 1.00 74.21 H new ATOM 1582 N ASN A 99 -8.485 -59.581 -41.100 1.00 51.44 N ATOM 1583 CA ASN A 99 -7.449 -59.605 -42.126 1.00 64.41 C ATOM 1584 C ASN A 99 -6.188 -60.291 -41.609 1.00 22.51 C ATOM 1585 O ASN A 99 -5.114 -59.690 -41.567 1.00 72.44 O ATOM 1586 CB ASN A 99 -7.118 -58.183 -42.581 1.00 53.53 C ATOM 1587 CG ASN A 99 -7.883 -57.782 -43.828 1.00 33.10 C ATOM 1588 OD1 ASN A 99 -8.077 -58.590 -44.737 1.00 13.52 O ATOM 1589 ND2 ASN A 99 -8.322 -56.530 -43.876 1.00 43.51 N ATOM 0 H ASN A 99 -8.174 -59.887 -40.178 1.00 51.44 H new ATOM 0 HA ASN A 99 -7.828 -60.172 -42.976 1.00 64.41 H new ATOM 0 HB2 ASN A 99 -7.348 -57.484 -41.777 1.00 53.53 H new ATOM 0 HB3 ASN A 99 -6.048 -58.106 -42.774 1.00 53.53 H new ATOM 0 HD21 ASN A 99 -8.843 -56.203 -44.690 1.00 43.51 H new ATOM 0 HD22 ASN A 99 -8.138 -55.895 -43.099 1.00 43.51 H new ATOM 1596 N ASP A 100 -6.326 -61.553 -41.216 1.00 72.04 N ATOM 1597 CA ASP A 100 -5.198 -62.322 -40.703 1.00 74.25 C ATOM 1598 C ASP A 100 -5.601 -63.771 -40.447 1.00 63.21 C ATOM 1599 O ASP A 100 -5.186 -64.691 -41.153 1.00 51.53 O ATOM 1600 CB ASP A 100 -4.667 -61.692 -39.415 1.00 54.32 C ATOM 1601 CG ASP A 100 -3.405 -60.884 -39.644 1.00 1.15 C ATOM 1602 OD1 ASP A 100 -2.571 -61.307 -40.472 1.00 30.14 O ATOM 1603 OD2 ASP A 100 -3.251 -59.828 -38.995 1.00 32.21 O ATOM 0 H ASP A 100 -7.208 -62.065 -41.243 1.00 72.04 H new ATOM 0 HA ASP A 100 -4.409 -62.310 -41.455 1.00 74.25 H new ATOM 0 HB2 ASP A 100 -5.434 -61.048 -38.986 1.00 54.32 H new ATOM 0 HB3 ASP A 100 -4.465 -62.477 -38.686 1.00 54.32 H new ATOM 1608 N PRO A 101 -6.427 -63.982 -39.412 1.00 11.12 N ATOM 1609 CA PRO A 101 -6.903 -65.317 -39.038 1.00 20.12 C ATOM 1610 C PRO A 101 -7.878 -65.892 -40.060 1.00 21.24 C ATOM 1611 O PRO A 101 -8.339 -67.026 -39.923 1.00 31.20 O ATOM 1612 CB PRO A 101 -7.608 -65.080 -37.700 1.00 72.41 C ATOM 1613 CG PRO A 101 -8.021 -63.650 -37.738 1.00 13.45 C ATOM 1614 CD PRO A 101 -6.961 -62.933 -38.527 1.00 0.00 C ATOM 0 HA PRO A 101 -6.089 -66.040 -38.984 1.00 20.12 H new ATOM 0 HB2 PRO A 101 -8.469 -65.738 -37.584 1.00 72.41 H new ATOM 0 HB3 PRO A 101 -6.941 -65.277 -36.861 1.00 72.41 H new ATOM 0 HG2 PRO A 101 -8.999 -63.539 -38.207 1.00 13.45 H new ATOM 0 HG3 PRO A 101 -8.102 -63.240 -36.731 1.00 13.45 H new ATOM 0 HD2 PRO A 101 -7.377 -62.101 -39.095 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.187 -62.521 -37.879 1.00 0.00 H new ATOM 1622 N LEU A 102 -8.188 -65.104 -41.083 1.00 63.53 N ATOM 1623 CA LEU A 102 -9.108 -65.536 -42.130 1.00 11.04 C ATOM 1624 C LEU A 102 -8.347 -66.012 -43.363 1.00 4.43 C ATOM 1625 O LEU A 102 -8.899 -66.706 -44.215 1.00 53.21 O ATOM 1626 CB LEU A 102 -10.052 -64.394 -42.508 1.00 54.34 C ATOM 1627 CG LEU A 102 -9.922 -63.113 -41.683 1.00 33.45 C ATOM 1628 CD1 LEU A 102 -10.609 -61.953 -42.385 1.00 43.45 C ATOM 1629 CD2 LEU A 102 -10.503 -63.315 -40.291 1.00 33.33 C ATOM 0 H LEU A 102 -7.816 -64.163 -41.210 1.00 63.53 H new ATOM 0 HA LEU A 102 -9.693 -66.371 -41.744 1.00 11.04 H new ATOM 0 HB2 LEU A 102 -9.887 -64.145 -43.556 1.00 54.34 H new ATOM 0 HB3 LEU A 102 -11.077 -64.754 -42.423 1.00 54.34 H new ATOM 0 HG LEU A 102 -8.863 -62.874 -41.583 1.00 33.45 H new ATOM 0 HD11 LEU A 102 -10.506 -61.050 -41.783 1.00 43.45 H new ATOM 0 HD12 LEU A 102 -10.148 -61.793 -43.360 1.00 43.45 H new ATOM 0 HD13 LEU A 102 -11.666 -62.182 -42.517 1.00 43.45 H new ATOM 0 HD21 LEU A 102 -10.402 -62.394 -39.717 1.00 33.33 H new ATOM 0 HD22 LEU A 102 -11.558 -63.579 -40.372 1.00 33.33 H new ATOM 0 HD23 LEU A 102 -9.966 -64.118 -39.786 1.00 33.33 H new ATOM 1641 N GLU A 103 -7.075 -65.634 -43.448 1.00 63.54 N ATOM 1642 CA GLU A 103 -6.238 -66.024 -44.577 1.00 25.31 C ATOM 1643 C GLU A 103 -5.672 -67.427 -44.376 1.00 23.14 C ATOM 1644 O GLU A 103 -5.404 -67.845 -43.249 1.00 32.05 O ATOM 1645 CB GLU A 103 -5.095 -65.023 -44.763 1.00 31.53 C ATOM 1646 CG GLU A 103 -3.961 -65.203 -43.767 1.00 52.51 C ATOM 1647 CD GLU A 103 -2.744 -65.864 -44.383 1.00 24.44 C ATOM 1648 OE1 GLU A 103 -2.292 -65.399 -45.450 1.00 0.21 O ATOM 1649 OE2 GLU A 103 -2.243 -66.847 -43.798 1.00 22.33 O ATOM 0 H GLU A 103 -6.602 -65.059 -42.750 1.00 63.54 H new ATOM 0 HA GLU A 103 -6.859 -66.026 -45.473 1.00 25.31 H new ATOM 0 HB2 GLU A 103 -4.699 -65.120 -45.774 1.00 31.53 H new ATOM 0 HB3 GLU A 103 -5.491 -64.011 -44.672 1.00 31.53 H new ATOM 0 HG2 GLU A 103 -3.677 -64.230 -43.365 1.00 52.51 H new ATOM 0 HG3 GLU A 103 -4.311 -65.805 -42.928 1.00 52.51 H new ATOM 1656 N HIS A 104 -5.493 -68.150 -45.477 1.00 25.24 N ATOM 1657 CA HIS A 104 -4.959 -69.506 -45.422 1.00 64.40 C ATOM 1658 C HIS A 104 -5.805 -70.387 -44.508 1.00 21.12 C ATOM 1659 O HIS A 104 -6.967 -70.668 -44.803 1.00 12.24 O ATOM 1660 CB HIS A 104 -3.510 -69.488 -44.933 1.00 40.42 C ATOM 1661 CG HIS A 104 -2.757 -70.745 -45.242 1.00 72.00 C ATOM 1662 ND1 HIS A 104 -1.503 -71.015 -44.736 1.00 52.11 N ATOM 1663 CD2 HIS A 104 -3.089 -71.810 -46.009 1.00 11.21 C ATOM 1664 CE1 HIS A 104 -1.095 -72.191 -45.180 1.00 15.51 C ATOM 1665 NE2 HIS A 104 -2.040 -72.694 -45.954 1.00 62.00 N ATOM 0 H HIS A 104 -5.710 -67.820 -46.417 1.00 25.24 H new ATOM 0 HA HIS A 104 -4.990 -69.922 -46.429 1.00 64.40 H new ATOM 0 HB2 HIS A 104 -2.992 -68.643 -45.388 1.00 40.42 H new ATOM 0 HB3 HIS A 104 -3.501 -69.325 -43.855 1.00 40.42 H new ATOM 0 HD2 HIS A 104 -4.008 -71.940 -46.561 1.00 11.21 H new ATOM 0 HE1 HIS A 104 -0.150 -72.661 -44.949 1.00 15.51 H new ATOM 0 HE2 HIS A 104 -1.997 -73.593 -46.433 1.00 62.00 H new TER 1673 HIS A 104