USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 36 MET CE :methyl -172:sc= -0.0242 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.666 K(o=-0.7,f=-4!) USER MOD Set 1.3: B 51 SER OG : rot -170:sc=-0.00709 USER MOD Set 2.1: A 60 ASN : amide:sc= 1.06 K(o=2.3,f=1) USER MOD Set 2.2: A 62 THR OG1 : rot -85:sc= 1.21 USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.158 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.23) USER MOD Single : A 5 THR OG1 : rot -46:sc= -0.112! USER MOD Single : A 8 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.7) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0.649 (180deg=0.624) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.695 (180deg=-1.25) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 28 THR OG1 : rot 105:sc= 0.00306 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.178 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0529 (180deg=-0.42) USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.84 USER MOD Single : A 38 SER OG : rot 85:sc= 0.379 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 49 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.7!) USER MOD Single : A 51 MET CE :methyl 180:sc=-0.00867 (180deg=-0.00867) USER MOD Single : A 53 ASN : amide:sc= -3.23! C(o=-3.2!,f=-5!) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 71 MET CE :methyl -160:sc= -1.47 (180deg=-2.07) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0414 (180deg=-0.378) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot -160:sc= 0 USER MOD Single : B 53 GLN :FLIP amide:sc= -0.0714 F(o=-1.4!,f=-0.071) USER MOD Single : B 61 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 63 LYS NZ :NH3+ -151:sc= -0.126 (180deg=-0.685) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.726 -16.441 -10.449 1.00 0.00 N ATOM 2 CA ALA A 1 -6.488 -17.649 -10.878 1.00 0.00 C ATOM 3 C ALA A 1 -6.293 -18.751 -9.848 1.00 0.00 C ATOM 4 O ALA A 1 -5.630 -18.552 -8.833 1.00 0.00 O ATOM 5 CB ALA A 1 -5.975 -18.115 -12.241 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.347 -15.607 -10.487 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.383 -16.574 -9.476 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.916 -16.298 -11.085 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.549 -17.410 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.531 -18.998 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.112 -17.319 -12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.916 -18.360 -12.167 1.00 0.00 H new ATOM 13 N ASP A 2 -6.871 -19.917 -10.114 1.00 0.00 N ATOM 14 CA ASP A 2 -6.747 -21.043 -9.197 1.00 0.00 C ATOM 15 C ASP A 2 -6.942 -20.587 -7.752 1.00 0.00 C ATOM 16 O ASP A 2 -8.068 -20.381 -7.309 1.00 0.00 O ATOM 17 CB ASP A 2 -5.367 -21.684 -9.360 1.00 0.00 C ATOM 18 CG ASP A 2 -5.288 -22.409 -10.700 1.00 0.00 C ATOM 19 OD1 ASP A 2 -6.331 -22.607 -11.305 1.00 0.00 O ATOM 20 OD2 ASP A 2 -4.192 -22.767 -11.098 1.00 0.00 O ATOM 0 H ASP A 2 -7.425 -20.106 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.520 -21.775 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.592 -20.920 -9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.183 -22.385 -8.546 1.00 0.00 H new ATOM 25 N GLN A 3 -5.838 -20.426 -7.027 1.00 0.00 N ATOM 26 CA GLN A 3 -5.901 -19.989 -5.631 1.00 0.00 C ATOM 27 C GLN A 3 -4.573 -19.334 -5.229 1.00 0.00 C ATOM 28 O GLN A 3 -3.608 -20.025 -4.897 1.00 0.00 O ATOM 29 CB GLN A 3 -6.200 -21.207 -4.722 1.00 0.00 C ATOM 30 CG GLN A 3 -7.660 -21.186 -4.241 1.00 0.00 C ATOM 31 CD GLN A 3 -7.849 -20.091 -3.199 1.00 0.00 C ATOM 32 OE1 GLN A 3 -7.142 -20.064 -2.192 1.00 0.00 O ATOM 33 NE2 GLN A 3 -8.766 -19.185 -3.378 1.00 0.00 N ATOM 0 H GLN A 3 -4.894 -20.590 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.699 -19.255 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.006 -22.130 -5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.529 -21.198 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.327 -21.015 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.926 -22.154 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.351 -19.209 -4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.900 -18.451 -2.683 1.00 0.00 H new ATOM 42 N LEU A 4 -4.540 -18.004 -5.262 1.00 0.00 N ATOM 43 CA LEU A 4 -3.334 -17.255 -4.907 1.00 0.00 C ATOM 44 C LEU A 4 -2.091 -17.918 -5.513 1.00 0.00 C ATOM 45 O LEU A 4 -2.200 -18.842 -6.317 1.00 0.00 O ATOM 46 CB LEU A 4 -3.200 -17.172 -3.369 1.00 0.00 C ATOM 47 CG LEU A 4 -2.614 -15.807 -2.943 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.730 -14.763 -2.839 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.915 -15.939 -1.584 1.00 0.00 C ATOM 0 H LEU A 4 -5.333 -17.422 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.417 -16.246 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.176 -17.314 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.557 -17.976 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.892 -15.488 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.305 -13.805 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.219 -14.655 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.461 -15.085 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.505 -14.973 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.635 -16.270 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.108 -16.668 -1.659 1.00 0.00 H new ATOM 61 N THR A 5 -0.914 -17.435 -5.123 1.00 0.00 N ATOM 62 CA THR A 5 0.337 -17.985 -5.635 1.00 0.00 C ATOM 63 C THR A 5 1.521 -17.450 -4.828 1.00 0.00 C ATOM 64 O THR A 5 1.384 -16.484 -4.081 1.00 0.00 O ATOM 65 CB THR A 5 0.501 -17.604 -7.111 1.00 0.00 C ATOM 66 OG1 THR A 5 -0.739 -17.766 -7.785 1.00 0.00 O ATOM 67 CG2 THR A 5 1.555 -18.496 -7.769 1.00 0.00 C ATOM 0 H THR A 5 -0.801 -16.669 -4.459 1.00 0.00 H new ATOM 0 HA THR A 5 0.310 -19.071 -5.541 1.00 0.00 H new ATOM 0 HB THR A 5 0.821 -16.564 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.136 -18.627 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.664 -18.218 -8.817 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.510 -18.369 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.243 -19.538 -7.701 1.00 0.00 H new ATOM 75 N GLU A 6 2.685 -18.078 -4.984 1.00 0.00 N ATOM 76 CA GLU A 6 3.879 -17.643 -4.261 1.00 0.00 C ATOM 77 C GLU A 6 4.146 -16.166 -4.517 1.00 0.00 C ATOM 78 O GLU A 6 4.310 -15.381 -3.594 1.00 0.00 O ATOM 79 CB GLU A 6 5.083 -18.474 -4.727 1.00 0.00 C ATOM 80 CG GLU A 6 6.335 -18.082 -3.936 1.00 0.00 C ATOM 81 CD GLU A 6 7.520 -18.928 -4.389 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.397 -19.584 -5.411 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.536 -18.902 -3.714 1.00 0.00 O ATOM 0 H GLU A 6 2.827 -18.881 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 6 3.721 -17.788 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.876 -19.535 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.253 -18.316 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.554 -17.025 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.162 -18.225 -2.869 1.00 0.00 H new ATOM 90 N GLU A 7 4.197 -15.797 -5.776 1.00 0.00 N ATOM 91 CA GLU A 7 4.450 -14.413 -6.134 1.00 0.00 C ATOM 92 C GLU A 7 3.605 -13.469 -5.269 1.00 0.00 C ATOM 93 O GLU A 7 4.135 -12.545 -4.653 1.00 0.00 O ATOM 94 CB GLU A 7 4.132 -14.191 -7.621 1.00 0.00 C ATOM 95 CG GLU A 7 2.878 -14.989 -8.010 1.00 0.00 C ATOM 96 CD GLU A 7 2.645 -14.912 -9.508 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.602 -15.091 -10.245 1.00 0.00 O ATOM 98 OE2 GLU A 7 1.515 -14.676 -9.897 1.00 0.00 O ATOM 0 H GLU A 7 4.068 -16.428 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 7 5.503 -14.194 -5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.973 -13.130 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.978 -14.503 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.993 -16.030 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.010 -14.596 -7.480 1.00 0.00 H new ATOM 105 N GLN A 8 2.287 -13.671 -5.268 1.00 0.00 N ATOM 106 CA GLN A 8 1.367 -12.811 -4.527 1.00 0.00 C ATOM 107 C GLN A 8 1.839 -12.515 -3.101 1.00 0.00 C ATOM 108 O GLN A 8 2.001 -11.351 -2.733 1.00 0.00 O ATOM 109 CB GLN A 8 -0.004 -13.496 -4.469 1.00 0.00 C ATOM 110 CG GLN A 8 -0.674 -13.456 -5.846 1.00 0.00 C ATOM 111 CD GLN A 8 -1.106 -12.033 -6.186 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.660 -11.332 -5.340 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.901 -11.564 -7.387 1.00 0.00 N ATOM 0 H GLN A 8 1.831 -14.429 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 8 1.317 -11.857 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.111 -14.530 -4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.637 -12.998 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.017 -13.824 -6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.540 -14.118 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.442 -12.144 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.200 -10.618 -7.623 1.00 0.00 H new ATOM 122 N ILE A 9 2.029 -13.547 -2.290 1.00 0.00 N ATOM 123 CA ILE A 9 2.445 -13.313 -0.911 1.00 0.00 C ATOM 124 C ILE A 9 3.740 -12.507 -0.873 1.00 0.00 C ATOM 125 O ILE A 9 3.846 -11.524 -0.138 1.00 0.00 O ATOM 126 CB ILE A 9 2.607 -14.643 -0.168 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.371 -15.622 -1.050 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.230 -15.226 0.147 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.608 -16.929 -0.301 1.00 0.00 C ATOM 0 H ILE A 9 1.907 -14.526 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 9 1.671 -12.734 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 9 3.153 -14.474 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.809 -15.815 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.325 -15.187 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.348 -16.172 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.674 -14.528 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.685 -15.395 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.155 -17.621 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.189 -16.732 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.650 -17.369 -0.026 1.00 0.00 H new ATOM 141 N ALA A 10 4.722 -12.908 -1.664 1.00 0.00 N ATOM 142 CA ALA A 10 5.987 -12.194 -1.696 1.00 0.00 C ATOM 143 C ALA A 10 5.762 -10.747 -2.119 1.00 0.00 C ATOM 144 O ALA A 10 6.360 -9.828 -1.568 1.00 0.00 O ATOM 145 CB ALA A 10 6.933 -12.880 -2.683 1.00 0.00 C ATOM 0 H ALA A 10 4.669 -13.715 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 10 6.429 -12.204 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.883 -12.345 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.104 -13.909 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.487 -12.875 -3.678 1.00 0.00 H new ATOM 151 N GLU A 11 4.890 -10.562 -3.098 1.00 0.00 N ATOM 152 CA GLU A 11 4.581 -9.228 -3.607 1.00 0.00 C ATOM 153 C GLU A 11 4.085 -8.319 -2.484 1.00 0.00 C ATOM 154 O GLU A 11 4.517 -7.172 -2.370 1.00 0.00 O ATOM 155 CB GLU A 11 3.508 -9.332 -4.693 1.00 0.00 C ATOM 156 CG GLU A 11 3.312 -7.971 -5.364 1.00 0.00 C ATOM 157 CD GLU A 11 2.258 -8.084 -6.460 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.947 -9.200 -6.838 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.776 -7.054 -6.901 1.00 0.00 O ATOM 0 H GLU A 11 4.382 -11.317 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 11 5.491 -8.797 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.801 -10.074 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.568 -9.671 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.004 -7.232 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.255 -7.625 -5.787 1.00 0.00 H new ATOM 166 N PHE A 12 3.185 -8.837 -1.653 1.00 0.00 N ATOM 167 CA PHE A 12 2.651 -8.058 -0.544 1.00 0.00 C ATOM 168 C PHE A 12 3.776 -7.687 0.429 1.00 0.00 C ATOM 169 O PHE A 12 3.859 -6.550 0.892 1.00 0.00 O ATOM 170 CB PHE A 12 1.522 -8.867 0.152 1.00 0.00 C ATOM 171 CG PHE A 12 1.814 -9.081 1.622 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.781 -7.996 2.504 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.132 -10.359 2.096 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.060 -8.189 3.860 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.413 -10.552 3.451 1.00 0.00 C ATOM 176 CZ PHE A 12 2.378 -9.467 4.332 1.00 0.00 C ATOM 0 H PHE A 12 2.814 -9.784 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 12 2.223 -7.126 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.575 -8.339 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.408 -9.832 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.540 -7.009 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.160 -11.196 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.030 -7.353 4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.657 -11.538 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.597 -9.616 5.379 1.00 0.00 H new ATOM 186 N LYS A 13 4.632 -8.656 0.731 1.00 0.00 N ATOM 187 CA LYS A 13 5.737 -8.427 1.645 1.00 0.00 C ATOM 188 C LYS A 13 6.650 -7.330 1.112 1.00 0.00 C ATOM 189 O LYS A 13 7.080 -6.451 1.861 1.00 0.00 O ATOM 190 CB LYS A 13 6.529 -9.725 1.834 1.00 0.00 C ATOM 191 CG LYS A 13 7.749 -9.483 2.753 1.00 0.00 C ATOM 192 CD LYS A 13 9.028 -9.312 1.913 1.00 0.00 C ATOM 193 CE LYS A 13 9.599 -10.680 1.528 1.00 0.00 C ATOM 194 NZ LYS A 13 10.862 -10.489 0.761 1.00 0.00 N ATOM 0 H LYS A 13 4.580 -9.603 0.356 1.00 0.00 H new ATOM 0 HA LYS A 13 5.338 -8.107 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.886 -10.491 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.863 -10.099 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.584 -8.593 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.867 -10.321 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.806 -8.737 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.769 -8.747 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.790 -11.272 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.876 -11.233 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.198 -11.409 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.686 -9.855 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.584 -10.069 1.381 1.00 0.00 H new ATOM 208 N GLU A 14 6.939 -7.383 -0.183 1.00 0.00 N ATOM 209 CA GLU A 14 7.796 -6.381 -0.807 1.00 0.00 C ATOM 210 C GLU A 14 7.164 -4.998 -0.691 1.00 0.00 C ATOM 211 O GLU A 14 7.782 -4.061 -0.180 1.00 0.00 O ATOM 212 CB GLU A 14 7.995 -6.714 -2.287 1.00 0.00 C ATOM 213 CG GLU A 14 8.834 -7.988 -2.440 1.00 0.00 C ATOM 214 CD GLU A 14 10.253 -7.751 -1.940 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.651 -6.601 -1.872 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.917 -8.725 -1.622 1.00 0.00 O ATOM 0 H GLU A 14 6.596 -8.104 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 14 8.758 -6.384 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.027 -6.848 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.489 -5.883 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.375 -8.803 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.856 -8.293 -3.486 1.00 0.00 H new ATOM 223 N ALA A 15 5.926 -4.872 -1.169 1.00 0.00 N ATOM 224 CA ALA A 15 5.228 -3.596 -1.117 1.00 0.00 C ATOM 225 C ALA A 15 5.177 -3.077 0.315 1.00 0.00 C ATOM 226 O ALA A 15 5.402 -1.891 0.570 1.00 0.00 O ATOM 227 CB ALA A 15 3.804 -3.766 -1.675 1.00 0.00 C ATOM 0 H ALA A 15 5.394 -5.632 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 15 5.767 -2.869 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.281 -2.810 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.857 -4.109 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.264 -4.500 -1.076 1.00 0.00 H new ATOM 233 N PHE A 16 4.907 -3.977 1.249 1.00 0.00 N ATOM 234 CA PHE A 16 4.850 -3.603 2.653 1.00 0.00 C ATOM 235 C PHE A 16 6.175 -2.981 3.099 1.00 0.00 C ATOM 236 O PHE A 16 6.199 -1.916 3.713 1.00 0.00 O ATOM 237 CB PHE A 16 4.520 -4.864 3.491 1.00 0.00 C ATOM 238 CG PHE A 16 5.333 -4.890 4.774 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.109 -3.936 5.772 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.345 -5.848 4.933 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.899 -3.939 6.928 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.126 -5.855 6.090 1.00 0.00 C ATOM 243 CZ PHE A 16 6.908 -4.899 7.084 1.00 0.00 C ATOM 0 H PHE A 16 4.725 -4.963 1.062 1.00 0.00 H new ATOM 0 HA PHE A 16 4.071 -2.855 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.456 -4.879 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.728 -5.759 2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.329 -3.199 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.520 -6.581 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.731 -3.202 7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.898 -6.599 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.518 -4.899 7.975 1.00 0.00 H new ATOM 253 N SER A 17 7.262 -3.663 2.796 1.00 0.00 N ATOM 254 CA SER A 17 8.581 -3.189 3.175 1.00 0.00 C ATOM 255 C SER A 17 8.846 -1.801 2.613 1.00 0.00 C ATOM 256 O SER A 17 9.528 -0.991 3.242 1.00 0.00 O ATOM 257 CB SER A 17 9.651 -4.155 2.666 1.00 0.00 C ATOM 258 OG SER A 17 10.913 -3.497 2.650 1.00 0.00 O ATOM 0 H SER A 17 7.259 -4.548 2.288 1.00 0.00 H new ATOM 0 HA SER A 17 8.620 -3.137 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.696 -5.036 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.397 -4.502 1.664 1.00 0.00 H new ATOM 0 HG SER A 17 11.600 -4.116 2.325 1.00 0.00 H new ATOM 264 N LEU A 18 8.319 -1.528 1.427 1.00 0.00 N ATOM 265 CA LEU A 18 8.526 -0.222 0.806 1.00 0.00 C ATOM 266 C LEU A 18 7.814 0.883 1.577 1.00 0.00 C ATOM 267 O LEU A 18 8.361 1.972 1.764 1.00 0.00 O ATOM 268 CB LEU A 18 8.020 -0.241 -0.637 1.00 0.00 C ATOM 269 CG LEU A 18 8.882 -1.188 -1.487 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.270 -1.314 -2.887 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.327 -0.655 -1.597 1.00 0.00 C ATOM 0 H LEU A 18 7.754 -2.179 0.882 1.00 0.00 H new ATOM 0 HA LEU A 18 9.596 -0.016 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.979 -0.564 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.051 0.765 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 18 8.909 -2.166 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.880 -1.985 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.259 -1.714 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.235 -0.332 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.922 -1.339 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.317 0.329 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.763 -0.579 -0.601 1.00 0.00 H new ATOM 283 N PHE A 19 6.584 0.615 2.002 1.00 0.00 N ATOM 284 CA PHE A 19 5.812 1.621 2.726 1.00 0.00 C ATOM 285 C PHE A 19 6.342 1.836 4.138 1.00 0.00 C ATOM 286 O PHE A 19 6.602 2.960 4.532 1.00 0.00 O ATOM 287 CB PHE A 19 4.351 1.207 2.800 1.00 0.00 C ATOM 288 CG PHE A 19 3.788 1.084 1.402 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.719 2.208 0.562 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.338 -0.156 0.943 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.196 2.078 -0.730 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.818 -0.283 -0.339 1.00 0.00 C ATOM 293 CZ PHE A 19 2.746 0.833 -1.182 1.00 0.00 C ATOM 0 H PHE A 19 6.105 -0.275 1.862 1.00 0.00 H new ATOM 0 HA PHE A 19 5.908 2.558 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.258 0.257 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.782 1.943 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.068 3.168 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.395 -1.020 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.140 2.940 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.469 -1.244 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.344 0.733 -2.179 1.00 0.00 H new ATOM 303 N ASP A 20 6.481 0.764 4.907 1.00 0.00 N ATOM 304 CA ASP A 20 6.968 0.889 6.279 1.00 0.00 C ATOM 305 C ASP A 20 8.328 1.593 6.308 1.00 0.00 C ATOM 306 O ASP A 20 9.371 0.941 6.315 1.00 0.00 O ATOM 307 CB ASP A 20 7.097 -0.500 6.907 1.00 0.00 C ATOM 308 CG ASP A 20 7.213 -0.389 8.424 1.00 0.00 C ATOM 309 OD1 ASP A 20 6.951 0.682 8.944 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.565 -1.379 9.044 1.00 0.00 O ATOM 0 H ASP A 20 6.268 -0.189 4.613 1.00 0.00 H new ATOM 0 HA ASP A 20 6.255 1.485 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.230 -1.106 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.974 -1.008 6.505 1.00 0.00 H new ATOM 315 N LYS A 21 8.307 2.932 6.320 1.00 0.00 N ATOM 316 CA LYS A 21 9.556 3.697 6.340 1.00 0.00 C ATOM 317 C LYS A 21 10.302 3.469 7.647 1.00 0.00 C ATOM 318 O LYS A 21 11.479 3.108 7.639 1.00 0.00 O ATOM 319 CB LYS A 21 9.286 5.206 6.178 1.00 0.00 C ATOM 320 CG LYS A 21 8.225 5.478 5.101 1.00 0.00 C ATOM 321 CD LYS A 21 8.746 5.132 3.684 1.00 0.00 C ATOM 322 CE LYS A 21 9.292 6.390 3.000 1.00 0.00 C ATOM 323 NZ LYS A 21 10.447 6.909 3.784 1.00 0.00 N ATOM 0 H LYS A 21 7.457 3.496 6.316 1.00 0.00 H new ATOM 0 HA LYS A 21 10.164 3.350 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.954 5.621 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.213 5.716 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.332 4.891 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.932 6.527 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.529 4.376 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.941 4.705 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.603 6.159 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.513 7.149 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.957 7.620 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.102 7.345 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.090 6.125 4.016 1.00 0.00 H new ATOM 337 N ASP A 22 9.629 3.699 8.767 1.00 0.00 N ATOM 338 CA ASP A 22 10.267 3.526 10.059 1.00 0.00 C ATOM 339 C ASP A 22 10.655 2.067 10.249 1.00 0.00 C ATOM 340 O ASP A 22 11.483 1.740 11.098 1.00 0.00 O ATOM 341 CB ASP A 22 9.309 3.957 11.167 1.00 0.00 C ATOM 342 CG ASP A 22 7.998 3.195 11.021 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.810 2.590 9.982 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.204 3.226 11.950 1.00 0.00 O ATOM 0 H ASP A 22 8.656 4.001 8.805 1.00 0.00 H new ATOM 0 HA ASP A 22 11.165 4.142 10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.751 3.760 12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.128 5.030 11.110 1.00 0.00 H new ATOM 349 N GLY A 23 10.063 1.195 9.438 1.00 0.00 N ATOM 350 CA GLY A 23 10.368 -0.229 9.510 1.00 0.00 C ATOM 351 C GLY A 23 10.010 -0.823 10.871 1.00 0.00 C ATOM 352 O GLY A 23 10.770 -1.620 11.420 1.00 0.00 O ATOM 0 H GLY A 23 9.375 1.447 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.821 -0.757 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.429 -0.383 9.315 1.00 0.00 H new ATOM 356 N ASP A 24 8.854 -0.443 11.417 1.00 0.00 N ATOM 357 CA ASP A 24 8.428 -0.966 12.720 1.00 0.00 C ATOM 358 C ASP A 24 7.541 -2.202 12.555 1.00 0.00 C ATOM 359 O ASP A 24 7.097 -2.794 13.536 1.00 0.00 O ATOM 360 CB ASP A 24 7.678 0.112 13.506 1.00 0.00 C ATOM 361 CG ASP A 24 6.517 0.658 12.689 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.550 0.524 11.476 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.609 1.210 13.293 1.00 0.00 O ATOM 0 H ASP A 24 8.203 0.214 10.987 1.00 0.00 H new ATOM 0 HA ASP A 24 9.321 -1.256 13.273 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.307 -0.305 14.442 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.360 0.922 13.765 1.00 0.00 H new ATOM 368 N GLY A 25 7.288 -2.589 11.302 1.00 0.00 N ATOM 369 CA GLY A 25 6.456 -3.761 11.010 1.00 0.00 C ATOM 370 C GLY A 25 5.023 -3.359 10.670 1.00 0.00 C ATOM 371 O GLY A 25 4.155 -4.212 10.483 1.00 0.00 O ATOM 0 H GLY A 25 7.646 -2.110 10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.887 -4.316 10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.453 -4.430 11.871 1.00 0.00 H new ATOM 375 N THR A 26 4.782 -2.053 10.589 1.00 0.00 N ATOM 376 CA THR A 26 3.456 -1.529 10.268 1.00 0.00 C ATOM 377 C THR A 26 3.582 -0.297 9.374 1.00 0.00 C ATOM 378 O THR A 26 4.649 0.307 9.281 1.00 0.00 O ATOM 379 CB THR A 26 2.719 -1.153 11.566 1.00 0.00 C ATOM 380 OG1 THR A 26 3.650 -0.601 12.485 1.00 0.00 O ATOM 381 CG2 THR A 26 2.062 -2.394 12.180 1.00 0.00 C ATOM 0 H THR A 26 5.490 -1.335 10.742 1.00 0.00 H new ATOM 0 HA THR A 26 2.890 -2.296 9.739 1.00 0.00 H new ATOM 0 HB THR A 26 1.943 -0.421 11.341 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.187 -0.358 13.314 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.544 -2.115 13.098 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.347 -2.815 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.827 -3.136 12.407 1.00 0.00 H new ATOM 389 N ILE A 27 2.475 0.084 8.738 1.00 0.00 N ATOM 390 CA ILE A 27 2.456 1.263 7.872 1.00 0.00 C ATOM 391 C ILE A 27 1.576 2.331 8.504 1.00 0.00 C ATOM 392 O ILE A 27 0.503 2.028 9.020 1.00 0.00 O ATOM 393 CB ILE A 27 1.928 0.892 6.496 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.881 -0.105 5.832 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.818 2.150 5.641 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.224 -0.691 4.578 1.00 0.00 C ATOM 0 H ILE A 27 1.582 -0.404 8.805 1.00 0.00 H new ATOM 0 HA ILE A 27 3.469 1.649 7.759 1.00 0.00 H new ATOM 0 HB ILE A 27 0.944 0.434 6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.815 0.391 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.131 -0.904 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.439 1.887 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.135 2.854 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.801 2.610 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.905 -1.400 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.302 -1.202 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.996 0.112 3.877 1.00 0.00 H new ATOM 408 N THR A 28 2.043 3.577 8.476 1.00 0.00 N ATOM 409 CA THR A 28 1.293 4.689 9.066 1.00 0.00 C ATOM 410 C THR A 28 0.836 5.666 7.991 1.00 0.00 C ATOM 411 O THR A 28 1.299 5.620 6.849 1.00 0.00 O ATOM 412 CB THR A 28 2.172 5.416 10.086 1.00 0.00 C ATOM 413 OG1 THR A 28 2.623 4.488 11.061 1.00 0.00 O ATOM 414 CG2 THR A 28 1.372 6.528 10.771 1.00 0.00 C ATOM 0 H THR A 28 2.932 3.844 8.054 1.00 0.00 H new ATOM 0 HA THR A 28 0.410 4.287 9.563 1.00 0.00 H new ATOM 0 HB THR A 28 3.026 5.858 9.573 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.564 4.270 10.895 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.006 7.039 11.495 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.027 7.242 10.023 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.513 6.095 11.283 1.00 0.00 H new ATOM 422 N THR A 29 -0.082 6.547 8.366 1.00 0.00 N ATOM 423 CA THR A 29 -0.611 7.535 7.437 1.00 0.00 C ATOM 424 C THR A 29 0.502 8.452 6.943 1.00 0.00 C ATOM 425 O THR A 29 0.595 8.756 5.754 1.00 0.00 O ATOM 426 CB THR A 29 -1.692 8.370 8.128 1.00 0.00 C ATOM 427 OG1 THR A 29 -1.095 9.160 9.152 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.747 7.446 8.749 1.00 0.00 C ATOM 0 H THR A 29 -0.475 6.597 9.306 1.00 0.00 H new ATOM 0 HA THR A 29 -1.043 7.013 6.583 1.00 0.00 H new ATOM 0 HB THR A 29 -2.170 9.018 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.797 9.573 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.513 8.046 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.205 6.840 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.273 6.794 9.482 1.00 0.00 H new ATOM 436 N LYS A 30 1.337 8.888 7.871 1.00 0.00 N ATOM 437 CA LYS A 30 2.448 9.772 7.540 1.00 0.00 C ATOM 438 C LYS A 30 3.479 9.039 6.686 1.00 0.00 C ATOM 439 O LYS A 30 4.009 9.593 5.723 1.00 0.00 O ATOM 440 CB LYS A 30 3.090 10.296 8.826 1.00 0.00 C ATOM 441 CG LYS A 30 2.095 11.207 9.551 1.00 0.00 C ATOM 442 CD LYS A 30 2.713 11.702 10.859 1.00 0.00 C ATOM 443 CE LYS A 30 1.736 12.643 11.566 1.00 0.00 C ATOM 444 NZ LYS A 30 0.500 11.896 11.939 1.00 0.00 N ATOM 0 H LYS A 30 1.269 8.646 8.860 1.00 0.00 H new ATOM 0 HA LYS A 30 2.070 10.616 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.375 9.464 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.002 10.846 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.833 12.054 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.172 10.665 9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.949 10.856 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.650 12.220 10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.201 13.063 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.484 13.479 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.020 12.426 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.102 11.780 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.759 10.960 12.311 1.00 0.00 H new ATOM 458 N GLU A 31 3.753 7.786 7.042 1.00 0.00 N ATOM 459 CA GLU A 31 4.713 6.983 6.293 1.00 0.00 C ATOM 460 C GLU A 31 4.302 6.920 4.827 1.00 0.00 C ATOM 461 O GLU A 31 5.058 7.316 3.938 1.00 0.00 O ATOM 462 CB GLU A 31 4.770 5.570 6.885 1.00 0.00 C ATOM 463 CG GLU A 31 5.563 5.594 8.193 1.00 0.00 C ATOM 464 CD GLU A 31 5.460 4.244 8.893 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.052 3.298 8.245 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.782 4.182 10.067 1.00 0.00 O ATOM 0 H GLU A 31 3.328 7.309 7.837 1.00 0.00 H new ATOM 0 HA GLU A 31 5.700 7.440 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.761 5.200 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.238 4.886 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.608 5.828 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.181 6.380 8.844 1.00 0.00 H new ATOM 473 N LEU A 32 3.091 6.437 4.582 1.00 0.00 N ATOM 474 CA LEU A 32 2.582 6.346 3.216 1.00 0.00 C ATOM 475 C LEU A 32 2.489 7.724 2.581 1.00 0.00 C ATOM 476 O LEU A 32 2.923 7.922 1.449 1.00 0.00 O ATOM 477 CB LEU A 32 1.196 5.698 3.248 1.00 0.00 C ATOM 478 CG LEU A 32 0.505 5.757 1.879 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.307 4.951 0.863 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.892 5.154 2.014 1.00 0.00 C ATOM 0 H LEU A 32 2.448 6.105 5.301 1.00 0.00 H new ATOM 0 HA LEU A 32 3.266 5.742 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.288 4.659 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.576 6.202 3.989 1.00 0.00 H new ATOM 0 HG LEU A 32 0.439 6.791 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.813 4.995 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.311 5.367 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.371 3.913 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.398 5.188 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.811 4.119 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.466 5.725 2.745 1.00 0.00 H new ATOM 492 N GLY A 33 1.919 8.672 3.309 1.00 0.00 N ATOM 493 CA GLY A 33 1.771 10.020 2.784 1.00 0.00 C ATOM 494 C GLY A 33 3.085 10.502 2.198 1.00 0.00 C ATOM 495 O GLY A 33 3.119 11.081 1.113 1.00 0.00 O ATOM 0 H GLY A 33 1.556 8.536 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.995 10.037 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.450 10.694 3.578 1.00 0.00 H new ATOM 499 N THR A 34 4.169 10.254 2.917 1.00 0.00 N ATOM 500 CA THR A 34 5.483 10.667 2.449 1.00 0.00 C ATOM 501 C THR A 34 5.805 9.976 1.135 1.00 0.00 C ATOM 502 O THR A 34 6.261 10.608 0.184 1.00 0.00 O ATOM 503 CB THR A 34 6.545 10.319 3.494 1.00 0.00 C ATOM 504 OG1 THR A 34 6.267 11.023 4.696 1.00 0.00 O ATOM 505 CG2 THR A 34 7.930 10.720 2.980 1.00 0.00 C ATOM 0 H THR A 34 4.166 9.774 3.817 1.00 0.00 H new ATOM 0 HA THR A 34 5.480 11.746 2.293 1.00 0.00 H new ATOM 0 HB THR A 34 6.529 9.245 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.496 10.616 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.682 10.470 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.145 10.183 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.951 11.793 2.789 1.00 0.00 H new ATOM 513 N VAL A 35 5.565 8.669 1.076 1.00 0.00 N ATOM 514 CA VAL A 35 5.825 7.900 -0.136 1.00 0.00 C ATOM 515 C VAL A 35 4.953 8.402 -1.285 1.00 0.00 C ATOM 516 O VAL A 35 5.398 8.484 -2.424 1.00 0.00 O ATOM 517 CB VAL A 35 5.525 6.414 0.124 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.836 5.596 -1.130 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.381 5.905 1.286 1.00 0.00 C ATOM 0 H VAL A 35 5.192 8.122 1.852 1.00 0.00 H new ATOM 0 HA VAL A 35 6.873 8.022 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 35 4.470 6.305 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.622 4.544 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.219 5.949 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.889 5.711 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.163 4.852 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.436 6.020 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.154 6.480 2.184 1.00 0.00 H new ATOM 529 N MET A 36 3.715 8.754 -0.971 1.00 0.00 N ATOM 530 CA MET A 36 2.808 9.264 -1.998 1.00 0.00 C ATOM 531 C MET A 36 3.277 10.622 -2.533 1.00 0.00 C ATOM 532 O MET A 36 3.313 10.841 -3.741 1.00 0.00 O ATOM 533 CB MET A 36 1.398 9.390 -1.429 1.00 0.00 C ATOM 534 CG MET A 36 0.868 7.998 -1.073 1.00 0.00 C ATOM 535 SD MET A 36 0.655 7.012 -2.578 1.00 0.00 S ATOM 536 CE MET A 36 -1.099 7.366 -2.847 1.00 0.00 C ATOM 0 H MET A 36 3.317 8.699 -0.033 1.00 0.00 H new ATOM 0 HA MET A 36 2.806 8.557 -2.827 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.407 10.026 -0.544 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.741 9.866 -2.157 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.561 7.498 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.083 8.085 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.477 6.739 -3.654 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.656 7.158 -1.934 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.221 8.415 -3.115 1.00 0.00 H new ATOM 546 N ARG A 37 3.619 11.532 -1.624 1.00 0.00 N ATOM 547 CA ARG A 37 4.063 12.866 -2.025 1.00 0.00 C ATOM 548 C ARG A 37 5.411 12.790 -2.731 1.00 0.00 C ATOM 549 O ARG A 37 5.598 13.369 -3.802 1.00 0.00 O ATOM 550 CB ARG A 37 4.156 13.789 -0.819 1.00 0.00 C ATOM 551 CG ARG A 37 4.426 15.213 -1.301 1.00 0.00 C ATOM 552 CD ARG A 37 4.275 16.161 -0.128 1.00 0.00 C ATOM 553 NE ARG A 37 4.540 17.537 -0.543 1.00 0.00 N ATOM 554 CZ ARG A 37 5.782 18.014 -0.609 1.00 0.00 C ATOM 555 NH1 ARG A 37 6.788 17.255 -0.276 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.996 19.240 -1.005 1.00 0.00 N ATOM 0 H ARG A 37 3.598 11.374 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 37 3.326 13.274 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.229 13.755 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.954 13.459 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.430 15.286 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.730 15.481 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.267 16.086 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.963 15.876 0.668 1.00 0.00 H new ATOM 0 HE ARG A 37 3.758 18.145 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.624 16.297 0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.740 17.619 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.210 19.836 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.949 19.601 -1.054 1.00 0.00 H new ATOM 570 N SER A 38 6.351 12.074 -2.122 1.00 0.00 N ATOM 571 CA SER A 38 7.688 11.937 -2.691 1.00 0.00 C ATOM 572 C SER A 38 7.610 11.424 -4.125 1.00 0.00 C ATOM 573 O SER A 38 8.534 11.628 -4.913 1.00 0.00 O ATOM 574 CB SER A 38 8.518 10.966 -1.847 1.00 0.00 C ATOM 575 OG SER A 38 8.863 11.586 -0.616 1.00 0.00 O ATOM 0 H SER A 38 6.213 11.582 -1.239 1.00 0.00 H new ATOM 0 HA SER A 38 8.164 12.918 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.952 10.053 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.420 10.677 -2.387 1.00 0.00 H new ATOM 0 HG SER A 38 8.133 11.467 0.026 1.00 0.00 H new ATOM 581 N LEU A 39 6.505 10.762 -4.461 1.00 0.00 N ATOM 582 CA LEU A 39 6.321 10.229 -5.813 1.00 0.00 C ATOM 583 C LEU A 39 5.567 11.222 -6.694 1.00 0.00 C ATOM 584 O LEU A 39 5.596 11.120 -7.919 1.00 0.00 O ATOM 585 CB LEU A 39 5.550 8.913 -5.732 1.00 0.00 C ATOM 586 CG LEU A 39 6.416 7.853 -5.028 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.535 6.667 -4.624 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.542 7.359 -5.961 1.00 0.00 C ATOM 0 H LEU A 39 5.729 10.582 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 39 7.300 10.058 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.618 9.058 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.283 8.574 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 39 6.868 8.302 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.145 5.914 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.753 7.009 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.079 6.233 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.142 6.610 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.105 6.918 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.176 8.200 -6.243 1.00 0.00 H new ATOM 600 N GLY A 40 4.912 12.200 -6.067 1.00 0.00 N ATOM 601 CA GLY A 40 4.175 13.226 -6.812 1.00 0.00 C ATOM 602 C GLY A 40 2.688 12.909 -6.882 1.00 0.00 C ATOM 603 O GLY A 40 1.929 13.606 -7.555 1.00 0.00 O ATOM 0 H GLY A 40 4.875 12.305 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.319 14.196 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.579 13.304 -7.821 1.00 0.00 H new ATOM 607 N GLN A 41 2.271 11.859 -6.187 1.00 0.00 N ATOM 608 CA GLN A 41 0.865 11.471 -6.185 1.00 0.00 C ATOM 609 C GLN A 41 0.040 12.422 -5.315 1.00 0.00 C ATOM 610 O GLN A 41 0.561 13.020 -4.376 1.00 0.00 O ATOM 611 CB GLN A 41 0.726 10.036 -5.680 1.00 0.00 C ATOM 612 CG GLN A 41 1.277 9.077 -6.740 1.00 0.00 C ATOM 613 CD GLN A 41 1.221 7.637 -6.239 1.00 0.00 C ATOM 614 OE1 GLN A 41 2.258 6.986 -6.106 1.00 0.00 O ATOM 615 NE2 GLN A 41 0.069 7.088 -5.967 1.00 0.00 N ATOM 0 H GLN A 41 2.878 11.265 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 41 0.486 11.530 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.269 9.913 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.320 9.809 -5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.699 9.171 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.306 9.345 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.791 7.626 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.028 6.121 -5.645 1.00 0.00 H new ATOM 624 N ASN A 42 -1.245 12.560 -5.650 1.00 0.00 N ATOM 625 CA ASN A 42 -2.150 13.455 -4.918 1.00 0.00 C ATOM 626 C ASN A 42 -1.819 13.481 -3.417 1.00 0.00 C ATOM 627 O ASN A 42 -2.230 12.587 -2.675 1.00 0.00 O ATOM 628 CB ASN A 42 -3.591 12.976 -5.091 1.00 0.00 C ATOM 629 CG ASN A 42 -4.571 14.079 -4.698 1.00 0.00 C ATOM 630 OD1 ASN A 42 -5.278 13.954 -3.697 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.659 15.156 -5.428 1.00 0.00 N ATOM 0 H ASN A 42 -1.685 12.063 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.027 14.460 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.761 12.682 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.763 12.092 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.313 15.895 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.074 15.260 -6.257 1.00 0.00 H new ATOM 638 N PRO A 43 -1.098 14.481 -2.954 1.00 0.00 N ATOM 639 CA PRO A 43 -0.724 14.608 -1.506 1.00 0.00 C ATOM 640 C PRO A 43 -1.947 14.578 -0.585 1.00 0.00 C ATOM 641 O PRO A 43 -2.909 13.854 -0.835 1.00 0.00 O ATOM 642 CB PRO A 43 -0.006 15.970 -1.425 1.00 0.00 C ATOM 643 CG PRO A 43 0.457 16.256 -2.818 1.00 0.00 C ATOM 644 CD PRO A 43 -0.558 15.595 -3.750 1.00 0.00 C ATOM 0 HA PRO A 43 -0.103 13.776 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.679 16.749 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.834 15.931 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.509 17.330 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.457 15.856 -2.985 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.342 16.292 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.087 15.239 -4.666 1.00 0.00 H new ATOM 652 N THR A 44 -1.897 15.375 0.481 1.00 0.00 N ATOM 653 CA THR A 44 -3.000 15.440 1.435 1.00 0.00 C ATOM 654 C THR A 44 -3.071 14.160 2.265 1.00 0.00 C ATOM 655 O THR A 44 -3.373 13.083 1.748 1.00 0.00 O ATOM 656 CB THR A 44 -4.327 15.671 0.695 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.097 16.510 -0.428 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.341 16.339 1.630 1.00 0.00 C ATOM 0 H THR A 44 -1.108 15.982 0.704 1.00 0.00 H new ATOM 0 HA THR A 44 -2.824 16.277 2.111 1.00 0.00 H new ATOM 0 HB THR A 44 -4.725 14.711 0.365 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.941 16.658 -0.904 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.278 16.498 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.519 15.696 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.948 17.298 1.967 1.00 0.00 H new ATOM 666 N GLU A 45 -2.805 14.298 3.559 1.00 0.00 N ATOM 667 CA GLU A 45 -2.851 13.155 4.470 1.00 0.00 C ATOM 668 C GLU A 45 -4.287 12.882 4.902 1.00 0.00 C ATOM 669 O GLU A 45 -4.729 11.741 4.921 1.00 0.00 O ATOM 670 CB GLU A 45 -1.977 13.426 5.693 1.00 0.00 C ATOM 671 CG GLU A 45 -2.515 14.638 6.453 1.00 0.00 C ATOM 672 CD GLU A 45 -1.458 15.148 7.422 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.313 15.250 7.014 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.806 15.433 8.557 1.00 0.00 O ATOM 0 H GLU A 45 -2.557 15.183 4.001 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.470 12.276 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.965 12.552 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.948 13.606 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.790 15.426 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.420 14.366 6.997 1.00 0.00 H new ATOM 681 N ALA A 46 -5.001 13.945 5.269 1.00 0.00 N ATOM 682 CA ALA A 46 -6.387 13.809 5.730 1.00 0.00 C ATOM 683 C ALA A 46 -7.108 12.761 4.886 1.00 0.00 C ATOM 684 O ALA A 46 -7.837 11.912 5.408 1.00 0.00 O ATOM 685 CB ALA A 46 -7.106 15.155 5.607 1.00 0.00 C ATOM 0 H ALA A 46 -4.649 14.902 5.258 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.390 13.495 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.135 15.050 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.594 15.898 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.102 15.476 4.565 1.00 0.00 H new ATOM 691 N GLU A 47 -6.862 12.805 3.586 1.00 0.00 N ATOM 692 CA GLU A 47 -7.454 11.842 2.671 1.00 0.00 C ATOM 693 C GLU A 47 -7.047 10.426 3.080 1.00 0.00 C ATOM 694 O GLU A 47 -7.895 9.583 3.373 1.00 0.00 O ATOM 695 CB GLU A 47 -6.955 12.142 1.254 1.00 0.00 C ATOM 696 CG GLU A 47 -7.619 11.206 0.237 1.00 0.00 C ATOM 697 CD GLU A 47 -9.103 11.535 0.109 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.519 12.533 0.672 1.00 0.00 O ATOM 699 OE2 GLU A 47 -9.797 10.786 -0.555 1.00 0.00 O ATOM 0 H GLU A 47 -6.258 13.496 3.141 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.541 11.916 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.173 13.179 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.872 12.024 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.132 11.306 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.495 10.169 0.550 1.00 0.00 H new ATOM 706 N LEU A 48 -5.737 10.175 3.095 1.00 0.00 N ATOM 707 CA LEU A 48 -5.231 8.853 3.462 1.00 0.00 C ATOM 708 C LEU A 48 -5.666 8.509 4.890 1.00 0.00 C ATOM 709 O LEU A 48 -6.229 7.446 5.138 1.00 0.00 O ATOM 710 CB LEU A 48 -3.695 8.840 3.369 1.00 0.00 C ATOM 711 CG LEU A 48 -3.247 8.639 1.912 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.609 7.221 1.415 1.00 0.00 C ATOM 713 CD2 LEU A 48 -3.920 9.695 1.028 1.00 0.00 C ATOM 0 H LEU A 48 -5.017 10.859 2.861 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.638 8.111 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.293 9.778 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.293 8.041 3.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.164 8.749 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.282 7.103 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.112 6.479 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.688 7.080 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.606 9.557 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.003 9.590 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.631 10.690 1.366 1.00 0.00 H new ATOM 725 N GLN A 49 -5.405 9.423 5.814 1.00 0.00 N ATOM 726 CA GLN A 49 -5.773 9.225 7.209 1.00 0.00 C ATOM 727 C GLN A 49 -7.214 8.739 7.313 1.00 0.00 C ATOM 728 O GLN A 49 -7.571 8.010 8.239 1.00 0.00 O ATOM 729 CB GLN A 49 -5.638 10.553 7.960 1.00 0.00 C ATOM 730 CG GLN A 49 -4.158 10.937 8.083 1.00 0.00 C ATOM 731 CD GLN A 49 -4.019 12.333 8.686 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.016 12.962 9.037 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.832 12.855 8.829 1.00 0.00 N ATOM 0 H GLN A 49 -4.939 10.310 5.623 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.112 8.477 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.183 11.336 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.084 10.467 8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.638 10.211 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.686 10.909 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.006 12.332 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.730 13.786 9.232 1.00 0.00 H new ATOM 742 N ASP A 50 -8.030 9.140 6.346 1.00 0.00 N ATOM 743 CA ASP A 50 -9.430 8.737 6.321 1.00 0.00 C ATOM 744 C ASP A 50 -9.595 7.326 5.757 1.00 0.00 C ATOM 745 O ASP A 50 -10.380 6.533 6.273 1.00 0.00 O ATOM 746 CB ASP A 50 -10.234 9.731 5.483 1.00 0.00 C ATOM 747 CG ASP A 50 -11.728 9.533 5.720 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.073 8.908 6.710 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.503 10.006 4.907 1.00 0.00 O ATOM 0 H ASP A 50 -7.748 9.741 5.572 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.802 8.733 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.949 10.751 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.005 9.595 4.426 1.00 0.00 H new ATOM 754 N MET A 51 -8.850 7.019 4.696 1.00 0.00 N ATOM 755 CA MET A 51 -8.930 5.697 4.078 1.00 0.00 C ATOM 756 C MET A 51 -8.375 4.622 5.007 1.00 0.00 C ATOM 757 O MET A 51 -8.974 3.560 5.163 1.00 0.00 O ATOM 758 CB MET A 51 -8.150 5.687 2.763 1.00 0.00 C ATOM 759 CG MET A 51 -8.786 6.672 1.781 1.00 0.00 C ATOM 760 SD MET A 51 -10.434 6.084 1.314 1.00 0.00 S ATOM 761 CE MET A 51 -10.812 7.383 0.114 1.00 0.00 C ATOM 0 H MET A 51 -8.192 7.659 4.251 1.00 0.00 H new ATOM 0 HA MET A 51 -9.980 5.479 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.110 5.958 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.148 4.684 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.857 7.660 2.236 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.160 6.773 0.894 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.803 7.213 -0.307 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.790 8.354 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.071 7.367 -0.685 1.00 0.00 H new ATOM 771 N ILE A 52 -7.235 4.911 5.626 1.00 0.00 N ATOM 772 CA ILE A 52 -6.616 3.960 6.543 1.00 0.00 C ATOM 773 C ILE A 52 -7.520 3.743 7.754 1.00 0.00 C ATOM 774 O ILE A 52 -7.713 2.613 8.202 1.00 0.00 O ATOM 775 CB ILE A 52 -5.224 4.467 6.983 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.214 4.207 5.849 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.768 3.741 8.268 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.885 4.897 6.158 1.00 0.00 C ATOM 0 H ILE A 52 -6.725 5.787 5.511 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.484 3.006 6.032 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.279 5.535 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.057 3.135 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.613 4.577 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.786 4.109 8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.484 3.932 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.712 2.669 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.179 4.706 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.046 5.971 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.481 4.507 7.092 1.00 0.00 H new ATOM 790 N ASN A 53 -8.067 4.832 8.273 1.00 0.00 N ATOM 791 CA ASN A 53 -8.946 4.752 9.431 1.00 0.00 C ATOM 792 C ASN A 53 -10.073 3.746 9.188 1.00 0.00 C ATOM 793 O ASN A 53 -10.572 3.123 10.125 1.00 0.00 O ATOM 794 CB ASN A 53 -9.536 6.140 9.730 1.00 0.00 C ATOM 795 CG ASN A 53 -8.510 7.008 10.457 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.516 6.500 10.975 1.00 0.00 O ATOM 797 ND2 ASN A 53 -8.696 8.297 10.532 1.00 0.00 N ATOM 0 H ASN A 53 -7.920 5.775 7.914 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.363 4.413 10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.837 6.623 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.433 6.037 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.018 8.883 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.519 8.719 10.103 1.00 0.00 H new ATOM 804 N GLU A 54 -10.480 3.599 7.930 1.00 0.00 N ATOM 805 CA GLU A 54 -11.556 2.669 7.592 1.00 0.00 C ATOM 806 C GLU A 54 -11.090 1.210 7.658 1.00 0.00 C ATOM 807 O GLU A 54 -11.711 0.385 8.326 1.00 0.00 O ATOM 808 CB GLU A 54 -12.085 2.975 6.187 1.00 0.00 C ATOM 809 CG GLU A 54 -13.275 2.061 5.872 1.00 0.00 C ATOM 810 CD GLU A 54 -13.854 2.413 4.505 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.530 3.477 4.003 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.613 1.612 3.982 1.00 0.00 O ATOM 0 H GLU A 54 -10.087 4.105 7.136 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.350 2.801 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.389 4.020 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.295 2.827 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.957 1.019 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.041 2.170 6.640 1.00 0.00 H new ATOM 819 N VAL A 55 -10.009 0.894 6.944 1.00 0.00 N ATOM 820 CA VAL A 55 -9.491 -0.477 6.914 1.00 0.00 C ATOM 821 C VAL A 55 -8.871 -0.891 8.252 1.00 0.00 C ATOM 822 O VAL A 55 -8.805 -2.080 8.566 1.00 0.00 O ATOM 823 CB VAL A 55 -8.458 -0.627 5.785 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.173 -0.688 4.432 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.513 0.575 5.794 1.00 0.00 C ATOM 0 H VAL A 55 -9.478 1.561 6.383 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.336 -1.140 6.727 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.892 -1.545 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.436 -0.794 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.850 -1.542 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.742 0.229 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.781 0.468 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.086 1.490 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.997 0.625 6.753 1.00 0.00 H new ATOM 835 N ASP A 56 -8.413 0.078 9.036 1.00 0.00 N ATOM 836 CA ASP A 56 -7.801 -0.231 10.330 1.00 0.00 C ATOM 837 C ASP A 56 -8.694 -1.159 11.151 1.00 0.00 C ATOM 838 O ASP A 56 -9.815 -0.800 11.508 1.00 0.00 O ATOM 839 CB ASP A 56 -7.554 1.059 11.108 1.00 0.00 C ATOM 840 CG ASP A 56 -6.399 1.824 10.491 1.00 0.00 C ATOM 841 OD1 ASP A 56 -5.500 1.183 9.971 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.424 3.036 10.558 1.00 0.00 O ATOM 0 H ASP A 56 -8.451 1.071 8.806 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.853 -0.737 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.453 1.675 11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.333 0.828 12.150 1.00 0.00 H new ATOM 847 N ALA A 57 -8.190 -2.358 11.428 1.00 0.00 N ATOM 848 CA ALA A 57 -8.951 -3.343 12.187 1.00 0.00 C ATOM 849 C ALA A 57 -9.113 -2.932 13.647 1.00 0.00 C ATOM 850 O ALA A 57 -10.192 -3.074 14.220 1.00 0.00 O ATOM 851 CB ALA A 57 -8.249 -4.700 12.112 1.00 0.00 C ATOM 0 H ALA A 57 -7.262 -2.669 11.140 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.946 -3.409 11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.818 -5.436 12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.181 -5.018 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.247 -4.615 12.531 1.00 0.00 H new ATOM 857 N ASP A 58 -8.035 -2.440 14.260 1.00 0.00 N ATOM 858 CA ASP A 58 -8.080 -2.035 15.667 1.00 0.00 C ATOM 859 C ASP A 58 -8.232 -0.522 15.803 1.00 0.00 C ATOM 860 O ASP A 58 -8.278 0.007 16.913 1.00 0.00 O ATOM 861 CB ASP A 58 -6.799 -2.488 16.369 1.00 0.00 C ATOM 862 CG ASP A 58 -5.572 -1.932 15.655 1.00 0.00 C ATOM 863 OD1 ASP A 58 -5.743 -1.086 14.793 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.476 -2.367 15.978 1.00 0.00 O ATOM 0 H ASP A 58 -7.128 -2.313 13.810 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.946 -2.506 16.132 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.807 -2.151 17.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.753 -3.577 16.388 1.00 0.00 H new ATOM 869 N GLY A 59 -8.296 0.172 14.672 1.00 0.00 N ATOM 870 CA GLY A 59 -8.433 1.624 14.693 1.00 0.00 C ATOM 871 C GLY A 59 -7.159 2.263 15.235 1.00 0.00 C ATOM 872 O GLY A 59 -7.178 3.377 15.757 1.00 0.00 O ATOM 0 H GLY A 59 -8.256 -0.241 13.740 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.634 1.993 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.284 1.908 15.313 1.00 0.00 H new ATOM 876 N ASN A 60 -6.057 1.533 15.113 1.00 0.00 N ATOM 877 CA ASN A 60 -4.764 1.998 15.596 1.00 0.00 C ATOM 878 C ASN A 60 -4.235 3.110 14.708 1.00 0.00 C ATOM 879 O ASN A 60 -3.403 3.917 15.123 1.00 0.00 O ATOM 880 CB ASN A 60 -3.788 0.819 15.606 1.00 0.00 C ATOM 881 CG ASN A 60 -2.368 1.293 15.898 1.00 0.00 C ATOM 882 OD1 ASN A 60 -1.500 1.223 15.026 1.00 0.00 O ATOM 883 ND2 ASN A 60 -2.076 1.769 17.073 1.00 0.00 N ATOM 0 H ASN A 60 -6.034 0.610 14.680 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.873 2.394 16.606 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.096 0.093 16.359 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.815 0.310 14.642 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.127 2.085 17.274 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.796 1.826 17.793 1.00 0.00 H new ATOM 890 N GLY A 61 -4.722 3.139 13.476 1.00 0.00 N ATOM 891 CA GLY A 61 -4.296 4.151 12.516 1.00 0.00 C ATOM 892 C GLY A 61 -3.149 3.637 11.647 1.00 0.00 C ATOM 893 O GLY A 61 -2.454 4.418 10.998 1.00 0.00 O ATOM 0 H GLY A 61 -5.410 2.477 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.137 4.433 11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.980 5.050 13.046 1.00 0.00 H new ATOM 897 N THR A 62 -2.960 2.317 11.635 1.00 0.00 N ATOM 898 CA THR A 62 -1.896 1.703 10.838 1.00 0.00 C ATOM 899 C THR A 62 -2.407 0.463 10.112 1.00 0.00 C ATOM 900 O THR A 62 -3.399 -0.139 10.520 1.00 0.00 O ATOM 901 CB THR A 62 -0.734 1.312 11.748 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.165 0.303 12.649 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.267 2.537 12.536 1.00 0.00 C ATOM 0 H THR A 62 -3.526 1.655 12.165 1.00 0.00 H new ATOM 0 HA THR A 62 -1.560 2.428 10.097 1.00 0.00 H new ATOM 0 HB THR A 62 0.092 0.935 11.145 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.595 0.719 13.425 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.562 2.257 13.185 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.060 3.312 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.090 2.916 13.142 1.00 0.00 H new ATOM 911 N ILE A 63 -1.709 0.081 9.040 1.00 0.00 N ATOM 912 CA ILE A 63 -2.085 -1.103 8.268 1.00 0.00 C ATOM 913 C ILE A 63 -1.141 -2.256 8.587 1.00 0.00 C ATOM 914 O ILE A 63 0.076 -2.148 8.407 1.00 0.00 O ATOM 915 CB ILE A 63 -2.024 -0.800 6.766 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.799 0.490 6.465 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.630 -1.958 5.972 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.201 0.419 7.075 1.00 0.00 C ATOM 0 H ILE A 63 -0.886 0.571 8.689 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.104 -1.382 8.537 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.982 -0.673 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.262 1.348 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.870 0.637 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.582 -1.733 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.071 -2.871 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.670 -2.096 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.741 1.340 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.740 -0.428 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.122 0.294 8.155 1.00 0.00 H new ATOM 930 N ASP A 64 -1.715 -3.350 9.083 1.00 0.00 N ATOM 931 CA ASP A 64 -0.933 -4.526 9.450 1.00 0.00 C ATOM 932 C ASP A 64 -0.634 -5.399 8.230 1.00 0.00 C ATOM 933 O ASP A 64 -1.095 -5.124 7.121 1.00 0.00 O ATOM 934 CB ASP A 64 -1.694 -5.345 10.492 1.00 0.00 C ATOM 935 CG ASP A 64 -1.777 -4.570 11.801 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.013 -3.633 11.961 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.603 -4.928 12.627 1.00 0.00 O ATOM 0 H ASP A 64 -2.718 -3.446 9.240 1.00 0.00 H new ATOM 0 HA ASP A 64 0.016 -4.186 9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.697 -5.571 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.192 -6.299 10.655 1.00 0.00 H new ATOM 942 N PHE A 65 0.145 -6.450 8.460 1.00 0.00 N ATOM 943 CA PHE A 65 0.533 -7.385 7.404 1.00 0.00 C ATOM 944 C PHE A 65 -0.686 -7.894 6.602 1.00 0.00 C ATOM 945 O PHE A 65 -0.795 -7.626 5.399 1.00 0.00 O ATOM 946 CB PHE A 65 1.288 -8.578 8.043 1.00 0.00 C ATOM 947 CG PHE A 65 2.782 -8.354 8.020 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.296 -7.090 8.326 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.651 -9.410 7.719 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.677 -6.881 8.332 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.036 -9.199 7.719 1.00 0.00 C ATOM 952 CZ PHE A 65 5.549 -7.934 8.025 1.00 0.00 C ATOM 0 H PHE A 65 0.525 -6.679 9.378 1.00 0.00 H new ATOM 0 HA PHE A 65 1.180 -6.860 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.954 -8.715 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.047 -9.495 7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.625 -6.276 8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.254 -10.387 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.073 -5.906 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.707 -10.012 7.483 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.616 -7.769 8.025 1.00 0.00 H new ATOM 962 N PRO A 66 -1.575 -8.641 7.222 1.00 0.00 N ATOM 963 CA PRO A 66 -2.769 -9.220 6.524 1.00 0.00 C ATOM 964 C PRO A 66 -3.653 -8.164 5.860 1.00 0.00 C ATOM 965 O PRO A 66 -4.083 -8.334 4.723 1.00 0.00 O ATOM 966 CB PRO A 66 -3.531 -9.961 7.644 1.00 0.00 C ATOM 967 CG PRO A 66 -3.007 -9.390 8.922 1.00 0.00 C ATOM 968 CD PRO A 66 -1.557 -9.011 8.646 1.00 0.00 C ATOM 0 HA PRO A 66 -2.470 -9.869 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.607 -9.807 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.358 -11.036 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.587 -8.519 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.073 -10.117 9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.230 -8.182 9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.879 -9.843 8.838 1.00 0.00 H new ATOM 976 N GLU A 67 -3.926 -7.091 6.584 1.00 0.00 N ATOM 977 CA GLU A 67 -4.774 -6.029 6.061 1.00 0.00 C ATOM 978 C GLU A 67 -4.341 -5.622 4.659 1.00 0.00 C ATOM 979 O GLU A 67 -5.147 -5.633 3.726 1.00 0.00 O ATOM 980 CB GLU A 67 -4.699 -4.820 6.990 1.00 0.00 C ATOM 981 CG GLU A 67 -5.305 -5.177 8.350 1.00 0.00 C ATOM 982 CD GLU A 67 -6.806 -5.407 8.211 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.369 -4.936 7.237 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.371 -6.042 9.086 1.00 0.00 O ATOM 0 H GLU A 67 -3.576 -6.931 7.529 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.798 -6.398 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.662 -4.508 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.235 -3.978 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.827 -6.073 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.117 -4.374 9.063 1.00 0.00 H new ATOM 991 N PHE A 68 -3.076 -5.264 4.515 1.00 0.00 N ATOM 992 CA PHE A 68 -2.560 -4.856 3.218 1.00 0.00 C ATOM 993 C PHE A 68 -2.681 -5.991 2.209 1.00 0.00 C ATOM 994 O PHE A 68 -3.158 -5.798 1.086 1.00 0.00 O ATOM 995 CB PHE A 68 -1.097 -4.446 3.356 1.00 0.00 C ATOM 996 CG PHE A 68 -0.606 -3.908 2.037 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.214 -4.791 1.025 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.549 -2.525 1.822 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.240 -4.290 -0.201 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.097 -2.028 0.598 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.298 -2.910 -0.415 1.00 0.00 C ATOM 0 H PHE A 68 -2.393 -5.247 5.272 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.147 -4.010 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.991 -3.689 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.494 -5.302 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.262 -5.857 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.854 -1.844 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.546 -4.970 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.052 -0.962 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.647 -2.524 -1.361 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.265 -7.176 2.627 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.332 -8.346 1.768 1.00 0.00 C ATOM 1013 C LEU A 69 -3.770 -8.611 1.326 1.00 0.00 C ATOM 1014 O LEU A 69 -4.004 -9.192 0.267 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.760 -9.565 2.517 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.096 -10.892 1.780 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.918 -11.872 1.899 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.349 -11.542 2.395 1.00 0.00 C ATOM 0 H LEU A 69 -1.878 -7.352 3.554 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.737 -8.165 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.679 -9.462 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.166 -9.596 3.528 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.282 -10.664 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.162 -12.799 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.029 -11.428 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.727 -12.085 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.573 -12.470 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.168 -11.756 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.195 -10.860 2.303 1.00 0.00 H new ATOM 1030 N THR A 70 -4.730 -8.194 2.144 1.00 0.00 N ATOM 1031 CA THR A 70 -6.140 -8.402 1.823 1.00 0.00 C ATOM 1032 C THR A 70 -6.713 -7.270 0.965 1.00 0.00 C ATOM 1033 O THR A 70 -7.159 -7.498 -0.158 1.00 0.00 O ATOM 1034 CB THR A 70 -6.933 -8.515 3.116 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.308 -9.471 3.962 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.363 -8.951 2.808 1.00 0.00 C ATOM 0 H THR A 70 -4.561 -7.714 3.028 1.00 0.00 H new ATOM 0 HA THR A 70 -6.219 -9.321 1.243 1.00 0.00 H new ATOM 0 HB THR A 70 -6.960 -7.547 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.572 -9.045 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.927 -9.031 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.836 -8.215 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.348 -9.920 2.308 1.00 0.00 H new ATOM 1044 N MET A 71 -6.711 -6.059 1.516 1.00 0.00 N ATOM 1045 CA MET A 71 -7.250 -4.900 0.807 1.00 0.00 C ATOM 1046 C MET A 71 -6.648 -4.759 -0.585 1.00 0.00 C ATOM 1047 O MET A 71 -7.217 -4.083 -1.440 1.00 0.00 O ATOM 1048 CB MET A 71 -7.026 -3.600 1.635 1.00 0.00 C ATOM 1049 CG MET A 71 -5.756 -2.827 1.201 1.00 0.00 C ATOM 1050 SD MET A 71 -5.715 -1.235 2.069 1.00 0.00 S ATOM 1051 CE MET A 71 -4.569 -1.710 3.372 1.00 0.00 C ATOM 0 H MET A 71 -6.345 -5.854 2.446 1.00 0.00 H new ATOM 0 HA MET A 71 -8.322 -5.059 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.896 -2.951 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.947 -3.856 2.692 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.863 -3.407 1.434 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.761 -2.669 0.123 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.666 -1.020 4.211 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.797 -2.722 3.706 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.549 -1.676 2.990 1.00 0.00 H new ATOM 1061 N MET A 72 -5.512 -5.404 -0.821 1.00 0.00 N ATOM 1062 CA MET A 72 -4.870 -5.328 -2.130 1.00 0.00 C ATOM 1063 C MET A 72 -5.406 -6.408 -3.074 1.00 0.00 C ATOM 1064 O MET A 72 -5.397 -6.241 -4.291 1.00 0.00 O ATOM 1065 CB MET A 72 -3.345 -5.438 -1.963 1.00 0.00 C ATOM 1066 CG MET A 72 -2.914 -6.905 -1.827 1.00 0.00 C ATOM 1067 SD MET A 72 -1.150 -6.976 -1.439 1.00 0.00 S ATOM 1068 CE MET A 72 -0.549 -7.015 -3.146 1.00 0.00 C ATOM 0 H MET A 72 -5.021 -5.978 -0.135 1.00 0.00 H new ATOM 0 HA MET A 72 -5.105 -4.364 -2.582 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.848 -4.987 -2.821 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.030 -4.879 -1.082 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.491 -7.394 -1.042 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.116 -7.443 -2.753 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.540 -7.061 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.950 -7.893 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.875 -6.115 -3.667 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.844 -7.522 -2.496 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.354 -8.644 -3.282 1.00 0.00 C ATOM 1080 C ALA A 73 -7.792 -8.402 -3.734 1.00 0.00 C ATOM 1081 O ALA A 73 -8.508 -9.345 -4.073 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.290 -9.921 -2.444 1.00 0.00 C ATOM 0 H ALA A 73 -5.857 -7.673 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.733 -8.746 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.670 -10.759 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.257 -10.117 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.898 -9.799 -1.547 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.213 -7.139 -3.736 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.573 -6.786 -4.149 1.00 0.00 C ATOM 1090 C ARG A 74 -9.560 -6.115 -5.522 1.00 0.00 C ATOM 1091 O ARG A 74 -10.597 -5.678 -6.023 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.190 -5.861 -3.104 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.420 -6.654 -1.813 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.997 -5.733 -0.737 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.245 -6.484 0.496 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.034 -6.002 1.455 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.592 -4.832 1.314 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -12.250 -6.703 2.535 1.00 0.00 N ATOM 0 H ARG A 74 -7.636 -6.345 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.173 -7.692 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.531 -5.014 -2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.133 -5.455 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.103 -7.482 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.481 -7.087 -1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.304 -4.915 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.926 -5.286 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.804 -7.395 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.424 -4.286 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.196 -4.463 2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.815 -7.619 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.854 -6.335 3.270 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.373 -6.032 -6.120 1.00 0.00 N ATOM 1113 CA LYS A 75 -8.216 -5.411 -7.439 1.00 0.00 C ATOM 1114 C LYS A 75 -9.126 -6.085 -8.460 1.00 0.00 C ATOM 1115 O LYS A 75 -9.787 -5.416 -9.253 1.00 0.00 O ATOM 1116 CB LYS A 75 -6.759 -5.546 -7.905 1.00 0.00 C ATOM 1117 CG LYS A 75 -6.570 -4.863 -9.268 1.00 0.00 C ATOM 1118 CD LYS A 75 -5.109 -4.994 -9.712 1.00 0.00 C ATOM 1119 CE LYS A 75 -4.925 -4.334 -11.080 1.00 0.00 C ATOM 1120 NZ LYS A 75 -5.137 -2.863 -10.955 1.00 0.00 N ATOM 0 H LYS A 75 -7.506 -6.385 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.486 -4.358 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.092 -5.096 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.489 -6.600 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.228 -5.319 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.847 -3.811 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.453 -4.524 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.827 -6.046 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.924 -4.537 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.631 -4.754 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.741 -2.383 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.156 -2.663 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.663 -2.516 -10.097 1.00 0.00 H new ATOM 1134 N MET A 76 -9.150 -7.416 -8.441 1.00 0.00 N ATOM 1135 CA MET A 76 -9.978 -8.172 -9.378 1.00 0.00 C ATOM 1136 C MET A 76 -11.395 -8.337 -8.834 1.00 0.00 C ATOM 1137 O MET A 76 -11.780 -7.681 -7.868 1.00 0.00 O ATOM 1138 CB MET A 76 -9.367 -9.556 -9.610 1.00 0.00 C ATOM 1139 CG MET A 76 -8.050 -9.420 -10.377 1.00 0.00 C ATOM 1140 SD MET A 76 -7.334 -11.065 -10.622 1.00 0.00 S ATOM 1141 CE MET A 76 -5.719 -10.541 -11.252 1.00 0.00 C ATOM 0 H MET A 76 -8.610 -7.989 -7.793 1.00 0.00 H new ATOM 0 HA MET A 76 -10.020 -7.622 -10.318 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.193 -10.051 -8.655 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.062 -10.181 -10.171 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.223 -8.938 -11.339 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.356 -8.787 -9.824 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.111 -11.419 -11.470 1.00 0.00 H new ATOM 0 HE2 MET A 76 -5.855 -9.959 -12.164 1.00 0.00 H new ATOM 0 HE3 MET A 76 -5.217 -9.929 -10.503 1.00 0.00 H new ATOM 1151 N LYS A 77 -12.163 -9.230 -9.459 1.00 0.00 N ATOM 1152 CA LYS A 77 -13.534 -9.490 -9.028 1.00 0.00 C ATOM 1153 C LYS A 77 -14.311 -8.177 -8.928 1.00 0.00 C ATOM 1154 O LYS A 77 -14.755 -7.696 -9.956 1.00 0.00 O ATOM 1155 CB LYS A 77 -13.522 -10.205 -7.662 1.00 0.00 C ATOM 1156 CG LYS A 77 -13.305 -11.718 -7.848 1.00 0.00 C ATOM 1157 CD LYS A 77 -11.894 -11.985 -8.387 1.00 0.00 C ATOM 1158 CE LYS A 77 -11.647 -13.492 -8.445 1.00 0.00 C ATOM 1159 NZ LYS A 77 -10.291 -13.756 -9.010 1.00 0.00 N ATOM 1160 OXT LYS A 77 -14.454 -7.677 -7.821 1.00 0.00 O ATOM 0 H LYS A 77 -11.860 -9.782 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.024 -10.130 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.731 -9.792 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.464 -10.028 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.443 -12.233 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.048 -12.118 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.784 -11.549 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.152 -11.509 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.726 -13.922 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.408 -13.972 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.125 -14.782 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.231 -13.359 -9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.571 -13.311 -8.406 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -14.361 8.048 -9.084 1.00 0.00 N ATOM 1176 CA GLY B 45 -14.079 6.623 -8.741 1.00 0.00 C ATOM 1177 C GLY B 45 -14.019 6.466 -7.227 1.00 0.00 C ATOM 1178 O GLY B 45 -14.327 7.401 -6.484 1.00 0.00 O ATOM 0 HA2 GLY B 45 -14.855 5.978 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.135 6.311 -9.187 1.00 0.00 H new ATOM 1184 N THR B 46 -13.620 5.282 -6.770 1.00 0.00 N ATOM 1185 CA THR B 46 -13.521 5.026 -5.334 1.00 0.00 C ATOM 1186 C THR B 46 -12.424 5.887 -4.717 1.00 0.00 C ATOM 1187 O THR B 46 -12.528 6.311 -3.566 1.00 0.00 O ATOM 1188 CB THR B 46 -13.209 3.550 -5.071 1.00 0.00 C ATOM 1189 OG1 THR B 46 -12.033 3.183 -5.777 1.00 0.00 O ATOM 1190 CG2 THR B 46 -14.377 2.678 -5.532 1.00 0.00 C ATOM 0 H THR B 46 -13.363 4.493 -7.363 1.00 0.00 H new ATOM 0 HA THR B 46 -14.479 5.277 -4.879 1.00 0.00 H new ATOM 0 HB THR B 46 -13.055 3.401 -4.002 1.00 0.00 H new ATOM 0 HG1 THR B 46 -12.003 2.209 -5.878 1.00 0.00 H new ATOM 0 HG21 THR B 46 -14.146 1.630 -5.341 1.00 0.00 H new ATOM 0 HG22 THR B 46 -15.277 2.957 -4.985 1.00 0.00 H new ATOM 0 HG23 THR B 46 -14.541 2.825 -6.600 1.00 0.00 H new ATOM 1198 N GLY B 47 -11.371 6.139 -5.491 1.00 0.00 N ATOM 1199 CA GLY B 47 -10.254 6.949 -5.015 1.00 0.00 C ATOM 1200 C GLY B 47 -9.299 6.116 -4.168 1.00 0.00 C ATOM 1201 O GLY B 47 -8.087 6.124 -4.388 1.00 0.00 O ATOM 0 H GLY B 47 -11.268 5.796 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.718 7.372 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.631 7.786 -4.428 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.855 5.409 -3.193 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.057 4.579 -2.296 1.00 0.00 C ATOM 1207 C ALA B 48 -8.296 3.485 -3.051 1.00 0.00 C ATOM 1208 O ALA B 48 -7.088 3.315 -2.861 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.983 3.934 -1.264 1.00 0.00 C ATOM 0 H ALA B 48 -10.857 5.393 -3.002 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.320 5.217 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.397 3.311 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.489 4.712 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.724 3.318 -1.774 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.005 2.740 -3.891 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.377 1.658 -4.646 1.00 0.00 C ATOM 1217 C ALA B 49 -7.309 2.200 -5.586 1.00 0.00 C ATOM 1218 O ALA B 49 -6.229 1.627 -5.713 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.431 0.911 -5.462 1.00 0.00 C ATOM 0 H ALA B 49 -10.002 2.861 -4.067 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.909 0.977 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.955 0.106 -6.022 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.181 0.492 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.910 1.601 -6.156 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.621 3.305 -6.248 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.683 3.913 -7.182 1.00 0.00 C ATOM 1227 C LEU B 50 -5.433 4.372 -6.434 1.00 0.00 C ATOM 1228 O LEU B 50 -4.311 4.203 -6.908 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.353 5.109 -7.878 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.770 5.324 -9.289 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -5.244 5.443 -9.224 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.169 4.153 -10.220 1.00 0.00 C ATOM 0 H LEU B 50 -8.510 3.796 -6.157 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.393 3.180 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.428 4.939 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.210 6.009 -7.280 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.178 6.251 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -4.848 5.594 -10.228 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -4.972 6.290 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -4.825 4.529 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.750 4.319 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -6.783 3.218 -9.815 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.255 4.097 -10.289 1.00 0.00 H new ATOM 1244 N SER B 51 -5.641 4.959 -5.266 1.00 0.00 N ATOM 1245 CA SER B 51 -4.530 5.448 -4.467 1.00 0.00 C ATOM 1246 C SER B 51 -3.563 4.313 -4.171 1.00 0.00 C ATOM 1247 O SER B 51 -2.348 4.464 -4.312 1.00 0.00 O ATOM 1248 CB SER B 51 -5.064 6.018 -3.155 1.00 0.00 C ATOM 1249 OG SER B 51 -3.989 6.184 -2.241 1.00 0.00 O ATOM 0 H SER B 51 -6.562 5.107 -4.853 1.00 0.00 H new ATOM 0 HA SER B 51 -4.005 6.227 -5.020 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.555 6.975 -3.334 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.814 5.349 -2.734 1.00 0.00 H new ATOM 0 HG SER B 51 -4.345 6.398 -1.353 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.111 3.177 -3.774 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.292 2.014 -3.472 1.00 0.00 C ATOM 1257 C TRP B 52 -2.668 1.438 -4.746 1.00 0.00 C ATOM 1258 O TRP B 52 -1.483 1.111 -4.771 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.147 0.945 -2.773 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.304 1.276 -1.319 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.484 1.520 -0.699 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.271 1.396 -0.296 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.239 1.773 0.640 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.891 1.709 0.938 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.870 1.263 -0.318 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.146 1.882 2.109 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.119 1.439 0.855 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.752 1.747 2.066 1.00 0.00 C ATOM 0 H TRP B 52 -5.114 3.035 -3.654 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.484 2.323 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.126 0.885 -3.247 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.679 -0.034 -2.882 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.455 1.518 -1.171 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.966 1.982 1.324 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.369 1.024 -1.244 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.641 2.118 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.044 1.336 0.823 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.167 1.880 2.964 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.475 1.308 -5.795 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.994 0.757 -7.059 1.00 0.00 C ATOM 1281 C GLN B 53 -1.886 1.621 -7.659 1.00 0.00 C ATOM 1282 O GLN B 53 -0.847 1.108 -8.075 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.160 0.651 -8.048 1.00 0.00 C ATOM 1284 CG GLN B 53 -5.090 -0.490 -7.623 1.00 0.00 C ATOM 1285 CD GLN B 53 -6.360 -0.478 -8.470 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -6.543 0.469 -9.348 1.00 0.00 O flip ATOM 1287 NE2 GLN B 53 -7.212 -1.355 -8.323 1.00 0.00 N flip ATOM 0 H GLN B 53 -4.459 1.575 -5.796 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.581 -0.232 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.711 1.591 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.782 0.470 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.579 -1.446 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.346 -0.387 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.069 -2.095 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.061 -1.341 -8.888 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.107 2.931 -7.708 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.110 3.840 -8.267 1.00 0.00 C ATOM 1298 C ALA B 54 0.162 3.852 -7.420 1.00 0.00 C ATOM 1299 O ALA B 54 1.271 3.895 -7.955 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.682 5.257 -8.349 1.00 0.00 C ATOM 0 H ALA B 54 -2.957 3.384 -7.372 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.856 3.488 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -0.932 5.929 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.565 5.257 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -1.957 5.597 -7.350 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.002 3.821 -6.102 1.00 0.00 N ATOM 1307 CA ALA B 55 1.147 3.835 -5.200 1.00 0.00 C ATOM 1308 C ALA B 55 1.998 2.582 -5.381 1.00 0.00 C ATOM 1309 O ALA B 55 3.223 2.658 -5.463 1.00 0.00 O ATOM 1310 CB ALA B 55 0.667 3.920 -3.750 1.00 0.00 C ATOM 0 H ALA B 55 -0.909 3.786 -5.637 1.00 0.00 H new ATOM 0 HA ALA B 55 1.757 4.707 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.528 3.930 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.089 4.834 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.041 3.057 -3.523 1.00 0.00 H new ATOM 1316 N ILE B 56 1.340 1.430 -5.442 1.00 0.00 N ATOM 1317 CA ILE B 56 2.045 0.164 -5.614 1.00 0.00 C ATOM 1318 C ILE B 56 2.748 0.122 -6.966 1.00 0.00 C ATOM 1319 O ILE B 56 3.905 -0.292 -7.066 1.00 0.00 O ATOM 1320 CB ILE B 56 1.045 -0.993 -5.511 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.530 -1.094 -4.074 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.721 -2.311 -5.902 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.675 -2.037 -4.028 1.00 0.00 C ATOM 0 H ILE B 56 0.326 1.346 -5.375 1.00 0.00 H new ATOM 0 HA ILE B 56 2.797 0.069 -4.831 1.00 0.00 H new ATOM 0 HB ILE B 56 0.213 -0.804 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.319 -1.463 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.247 -0.107 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.001 -3.126 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.084 -2.243 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.559 -2.503 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.042 -2.109 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.466 -1.649 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.377 -3.026 -4.377 1.00 0.00 H new ATOM 1335 N ASP B 57 2.040 0.548 -8.005 1.00 0.00 N ATOM 1336 CA ASP B 57 2.599 0.553 -9.349 1.00 0.00 C ATOM 1337 C ASP B 57 3.781 1.513 -9.443 1.00 0.00 C ATOM 1338 O ASP B 57 4.827 1.174 -9.999 1.00 0.00 O ATOM 1339 CB ASP B 57 1.518 0.962 -10.351 1.00 0.00 C ATOM 1340 CG ASP B 57 0.498 -0.161 -10.503 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.793 -1.266 -10.077 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.563 0.099 -11.043 1.00 0.00 O ATOM 0 H ASP B 57 1.082 0.893 -7.942 1.00 0.00 H new ATOM 0 HA ASP B 57 2.954 -0.451 -9.581 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.022 1.872 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.971 1.186 -11.317 1.00 0.00 H new ATOM 1347 N ALA B 58 3.608 2.710 -8.892 1.00 0.00 N ATOM 1348 CA ALA B 58 4.668 3.711 -8.917 1.00 0.00 C ATOM 1349 C ALA B 58 5.827 3.292 -8.016 1.00 0.00 C ATOM 1350 O ALA B 58 6.996 3.480 -8.360 1.00 0.00 O ATOM 1351 CB ALA B 58 4.117 5.063 -8.463 1.00 0.00 C ATOM 0 H ALA B 58 2.751 3.009 -8.426 1.00 0.00 H new ATOM 0 HA ALA B 58 5.039 3.798 -9.938 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.914 5.806 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.315 5.372 -9.133 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.729 4.976 -7.448 1.00 0.00 H new ATOM 1357 N ALA B 59 5.497 2.721 -6.861 1.00 0.00 N ATOM 1358 CA ALA B 59 6.519 2.278 -5.919 1.00 0.00 C ATOM 1359 C ALA B 59 7.425 1.246 -6.580 1.00 0.00 C ATOM 1360 O ALA B 59 8.652 1.356 -6.541 1.00 0.00 O ATOM 1361 CB ALA B 59 5.853 1.662 -4.686 1.00 0.00 C ATOM 0 H ALA B 59 4.538 2.555 -6.557 1.00 0.00 H new ATOM 0 HA ALA B 59 7.118 3.137 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.620 1.332 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.218 2.406 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.247 0.808 -4.988 1.00 0.00 H new ATOM 1367 N ARG B 60 6.804 0.251 -7.198 1.00 0.00 N ATOM 1368 CA ARG B 60 7.544 -0.798 -7.883 1.00 0.00 C ATOM 1369 C ARG B 60 8.308 -0.228 -9.074 1.00 0.00 C ATOM 1370 O ARG B 60 9.455 -0.601 -9.322 1.00 0.00 O ATOM 1371 CB ARG B 60 6.586 -1.892 -8.352 1.00 0.00 C ATOM 1372 CG ARG B 60 7.387 -3.005 -9.022 1.00 0.00 C ATOM 1373 CD ARG B 60 6.476 -4.197 -9.303 1.00 0.00 C ATOM 1374 NE ARG B 60 7.209 -5.209 -10.053 1.00 0.00 N ATOM 1375 CZ ARG B 60 6.680 -6.397 -10.329 1.00 0.00 C ATOM 1376 NH1 ARG B 60 5.493 -6.709 -9.889 1.00 0.00 N ATOM 1377 NH2 ARG B 60 7.363 -7.253 -11.034 1.00 0.00 N ATOM 0 H ARG B 60 5.790 0.149 -7.239 1.00 0.00 H new ATOM 0 HA ARG B 60 8.263 -1.227 -7.185 1.00 0.00 H new ATOM 0 HB2 ARG B 60 6.026 -2.289 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.858 -1.480 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.824 -2.642 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG B 60 8.213 -3.310 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG B 60 6.112 -4.618 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.602 -3.874 -9.868 1.00 0.00 H new ATOM 0 HE ARG B 60 8.154 -5.000 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.964 -6.040 -9.329 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.093 -7.622 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.295 -7.009 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG B 60 6.966 -8.167 -11.251 1.00 0.00 H new ATOM 1391 N GLN B 61 7.668 0.678 -9.807 1.00 0.00 N ATOM 1392 CA GLN B 61 8.305 1.288 -10.967 1.00 0.00 C ATOM 1393 C GLN B 61 9.658 1.860 -10.565 1.00 0.00 C ATOM 1394 O GLN B 61 10.649 1.698 -11.278 1.00 0.00 O ATOM 1395 CB GLN B 61 7.414 2.404 -11.522 1.00 0.00 C ATOM 1396 CG GLN B 61 8.046 2.996 -12.787 1.00 0.00 C ATOM 1397 CD GLN B 61 7.147 4.089 -13.359 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.132 4.439 -12.758 1.00 0.00 O ATOM 1399 NE2 GLN B 61 7.463 4.652 -14.492 1.00 0.00 N ATOM 0 H GLN B 61 6.719 1.003 -9.621 1.00 0.00 H new ATOM 0 HA GLN B 61 8.449 0.531 -11.738 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.423 2.011 -11.750 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.283 3.184 -10.772 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.028 3.407 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.196 2.212 -13.529 1.00 0.00 H new ATOM 0 HE21 GLN B 61 8.305 4.361 -14.989 1.00 0.00 H new ATOM 0 HE22 GLN B 61 6.868 5.384 -14.881 1.00 0.00 H new ATOM 1408 N ALA B 62 9.694 2.516 -9.412 1.00 0.00 N ATOM 1409 CA ALA B 62 10.937 3.089 -8.916 1.00 0.00 C ATOM 1410 C ALA B 62 11.911 1.981 -8.535 1.00 0.00 C ATOM 1411 O ALA B 62 13.113 2.085 -8.772 1.00 0.00 O ATOM 1412 CB ALA B 62 10.658 3.974 -7.700 1.00 0.00 C ATOM 0 H ALA B 62 8.885 2.663 -8.808 1.00 0.00 H new ATOM 0 HA ALA B 62 11.381 3.696 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.594 4.398 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.981 4.780 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.200 3.376 -6.912 1.00 0.00 H new ATOM 1418 N LYS B 63 11.379 0.918 -7.940 1.00 0.00 N ATOM 1419 CA LYS B 63 12.211 -0.206 -7.531 1.00 0.00 C ATOM 1420 C LYS B 63 12.883 -0.841 -8.742 1.00 0.00 C ATOM 1421 O LYS B 63 14.083 -1.110 -8.727 1.00 0.00 O ATOM 1422 CB LYS B 63 11.351 -1.252 -6.806 1.00 0.00 C ATOM 1423 CG LYS B 63 12.194 -2.467 -6.381 1.00 0.00 C ATOM 1424 CD LYS B 63 13.278 -2.038 -5.384 1.00 0.00 C ATOM 1425 CE LYS B 63 13.798 -3.262 -4.627 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.721 -3.777 -3.734 1.00 0.00 N ATOM 0 H LYS B 63 10.386 0.812 -7.732 1.00 0.00 H new ATOM 0 HA LYS B 63 12.984 0.160 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.889 -0.801 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.542 -1.578 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.553 -3.223 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.655 -2.923 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS B 63 14.098 -1.550 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.872 -1.310 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS B 63 14.106 -4.036 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.677 -2.996 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.148 -4.238 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.122 -2.986 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 12.140 -4.466 -4.253 1.00 0.00 H new ATOM 1440 N LEU B 64 12.098 -1.087 -9.783 1.00 0.00 N ATOM 1441 CA LEU B 64 12.632 -1.704 -10.992 1.00 0.00 C ATOM 1442 C LEU B 64 13.685 -0.813 -11.640 1.00 0.00 C ATOM 1443 O LEU B 64 14.757 -1.281 -12.021 1.00 0.00 O ATOM 1444 CB LEU B 64 11.488 -1.967 -11.982 1.00 0.00 C ATOM 1445 CG LEU B 64 12.031 -2.550 -13.296 1.00 0.00 C ATOM 1446 CD1 LEU B 64 12.833 -3.829 -13.016 1.00 0.00 C ATOM 1447 CD2 LEU B 64 10.852 -2.872 -14.224 1.00 0.00 C ATOM 0 H LEU B 64 11.101 -0.872 -9.816 1.00 0.00 H new ATOM 0 HA LEU B 64 13.106 -2.647 -10.720 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.770 -2.658 -11.541 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.954 -1.038 -12.183 1.00 0.00 H new ATOM 0 HG LEU B 64 12.689 -1.822 -13.771 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.213 -4.233 -13.954 1.00 0.00 H new ATOM 0 HD12 LEU B 64 13.669 -3.597 -12.356 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.187 -4.566 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.228 -3.286 -15.159 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.198 -3.599 -13.742 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.292 -1.960 -14.430 1.00 0.00 H new ATOM 1459 N MET B 65 13.373 0.472 -11.762 1.00 0.00 N ATOM 1460 CA MET B 65 14.299 1.422 -12.370 1.00 0.00 C ATOM 1461 C MET B 65 15.517 1.648 -11.479 1.00 0.00 C ATOM 1462 O MET B 65 16.636 1.797 -11.970 1.00 0.00 O ATOM 1463 CB MET B 65 13.587 2.751 -12.634 1.00 0.00 C ATOM 1464 CG MET B 65 12.552 2.567 -13.752 1.00 0.00 C ATOM 1465 SD MET B 65 13.399 2.260 -15.328 1.00 0.00 S ATOM 1466 CE MET B 65 12.542 3.499 -16.331 1.00 0.00 C ATOM 0 H MET B 65 12.491 0.879 -11.450 1.00 0.00 H new ATOM 0 HA MET B 65 14.643 1.005 -13.316 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.097 3.100 -11.725 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.312 3.514 -12.918 1.00 0.00 H new ATOM 0 HG2 MET B 65 11.891 1.733 -13.515 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.927 3.456 -13.832 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.925 3.470 -17.351 1.00 0.00 H new ATOM 0 HE2 MET B 65 11.473 3.285 -16.339 1.00 0.00 H new ATOM 0 HE3 MET B 65 12.711 4.489 -15.908 1.00 0.00 H new ATOM 1476 N GLY B 66 15.295 1.664 -10.168 1.00 0.00 N ATOM 1477 CA GLY B 66 16.383 1.864 -9.216 1.00 0.00 C ATOM 1478 C GLY B 66 16.662 3.346 -8.977 1.00 0.00 C ATOM 1479 O GLY B 66 17.720 3.708 -8.465 1.00 0.00 O ATOM 0 H GLY B 66 14.376 1.542 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.131 1.384 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.286 1.380 -9.589 1.00 0.00 H new ATOM 1483 N SER B 67 15.711 4.200 -9.337 1.00 0.00 N ATOM 1484 CA SER B 67 15.879 5.637 -9.140 1.00 0.00 C ATOM 1485 C SER B 67 16.062 5.945 -7.657 1.00 0.00 C ATOM 1486 O SER B 67 16.921 6.742 -7.275 1.00 0.00 O ATOM 1487 CB SER B 67 14.659 6.389 -9.670 1.00 0.00 C ATOM 1488 OG SER B 67 14.678 7.726 -9.179 1.00 0.00 O ATOM 0 H SER B 67 14.825 3.928 -9.762 1.00 0.00 H new ATOM 0 HA SER B 67 16.764 5.961 -9.687 1.00 0.00 H new ATOM 0 HB2 SER B 67 14.664 6.390 -10.760 1.00 0.00 H new ATOM 0 HB3 SER B 67 13.744 5.887 -9.356 1.00 0.00 H new ATOM 0 HG SER B 67 13.897 8.211 -9.519 1.00 0.00 H new ATOM 1494 N ALA B 68 15.249 5.301 -6.828 1.00 0.00 N ATOM 1495 CA ALA B 68 15.320 5.501 -5.386 1.00 0.00 C ATOM 1496 C ALA B 68 16.675 5.058 -4.844 1.00 0.00 C ATOM 1497 O ALA B 68 17.292 4.211 -5.469 1.00 0.00 O ATOM 1498 CB ALA B 68 14.211 4.702 -4.702 1.00 0.00 C ATOM 1499 OXT ALA B 68 17.074 5.572 -3.812 1.00 0.00 O ATOM 0 H ALA B 68 14.535 4.638 -7.129 1.00 0.00 H new ATOM 0 HA ALA B 68 15.192 6.563 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA B 68 14.266 4.853 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA B 68 13.241 5.040 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA B 68 14.334 3.643 -4.927 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.423 2.098 11.168 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.740 -2.475 12.118 1.00 0.00 CA