USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1060 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 128 TYR OH : rot 180:sc= 0.121 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 155:sc= 0.122 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -45:sc= 0.92 USER MOD Set 2.2: A 100 HIS : no HE2:sc= -0.323 K(o=0.6,f=-0.39) USER MOD Set 3.1: A 80 GLN : amide:sc= -0.0492 K(o=-0.061,f=-0.8) USER MOD Set 3.2: A 83 GLN :FLIP amide:sc= -0.0118 F(o=-1.4!,f=-0.061) USER MOD Set 4.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 114 THR OG1 : rot -84:sc= 0.212 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.221) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 34:sc= 0.54 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -161:sc= -0.137 (180deg=-0.596) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN :FLIP amide:sc=-0.00268 F(o=-1.3!,f=-0.0027) USER MOD Single : A 43 ASN : amide:sc= -0.71 K(o=-0.71,f=-2.4!) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.293 (180deg=-1.14) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0.314 (180deg=0.00686) USER MOD Single : A 48 TYR OH : rot -12:sc= 0.479 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc=-0.00659 F(o=-1.1,f=-0.0066) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.97) USER MOD Single : A 71 SER OG : rot 85:sc= 0.451 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.047 (180deg=-0.348) USER MOD Single : A 76 TYR OH : rot 37:sc= 0.126 USER MOD Single : A 89 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 90 MET CE :methyl -157:sc= -0.188 (180deg=-0.815) USER MOD Single : A 94 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 95 THR OG1 : rot 73:sc= 1.13 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 147:sc= -0.239 (180deg=-1.83) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -123:sc= 0.596 (180deg=0.121) USER MOD Single : A 124 MET CE :methyl 160:sc= -0.136 (180deg=-0.737) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.765 -0.026 -4.486 1.00 0.00 N ATOM 2 CA MET A 1 42.434 0.439 -5.727 1.00 0.00 C ATOM 3 C MET A 1 42.422 -0.654 -6.792 1.00 0.00 C ATOM 4 O MET A 1 41.818 -0.494 -7.853 1.00 0.00 O ATOM 5 CB MET A 1 43.875 0.857 -5.423 1.00 0.00 C ATOM 6 CG MET A 1 43.979 1.940 -4.361 1.00 0.00 C ATOM 7 SD MET A 1 43.070 3.434 -4.803 1.00 0.00 S ATOM 8 CE MET A 1 43.323 4.432 -3.337 1.00 0.00 C ATOM 0 H1 MET A 1 41.633 0.779 -3.840 1.00 0.00 H new ATOM 0 H2 MET A 1 40.839 -0.435 -4.723 1.00 0.00 H new ATOM 0 H3 MET A 1 42.354 -0.748 -4.024 1.00 0.00 H new ATOM 0 HA MET A 1 41.885 1.299 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 44.438 -0.017 -5.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 44.344 1.212 -6.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 43.599 1.554 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.028 2.190 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 42.819 5.391 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 42.914 3.914 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 44.390 4.599 -3.190 1.00 0.00 H new ATOM 18 N ASP A 2 43.091 -1.766 -6.501 1.00 0.00 N ATOM 19 CA ASP A 2 43.154 -2.887 -7.433 1.00 0.00 C ATOM 20 C ASP A 2 42.244 -4.024 -6.977 1.00 0.00 C ATOM 21 O ASP A 2 41.335 -4.434 -7.699 1.00 0.00 O ATOM 22 CB ASP A 2 44.592 -3.393 -7.562 1.00 0.00 C ATOM 23 CG ASP A 2 45.536 -2.325 -8.080 1.00 0.00 C ATOM 24 OD1 ASP A 2 46.026 -1.518 -7.262 1.00 0.00 O ATOM 25 OD2 ASP A 2 45.785 -2.295 -9.304 1.00 0.00 O ATOM 0 H ASP A 2 43.597 -1.915 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 2 42.811 -2.536 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 2 44.940 -3.741 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 2 44.614 -4.251 -8.234 1.00 0.00 H new ATOM 30 N ALA A 3 42.496 -4.527 -5.772 1.00 0.00 N ATOM 31 CA ALA A 3 41.703 -5.616 -5.216 1.00 0.00 C ATOM 32 C ALA A 3 41.754 -5.607 -3.692 1.00 0.00 C ATOM 33 O ALA A 3 42.703 -5.099 -3.096 1.00 0.00 O ATOM 34 CB ALA A 3 42.191 -6.951 -5.757 1.00 0.00 C ATOM 0 H ALA A 3 43.244 -4.197 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 3 40.666 -5.472 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 3 41.591 -7.756 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 3 42.097 -6.960 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 3 43.236 -7.095 -5.482 1.00 0.00 H new ATOM 40 N LEU A 4 40.726 -6.173 -3.068 1.00 0.00 N ATOM 41 CA LEU A 4 40.651 -6.230 -1.612 1.00 0.00 C ATOM 42 C LEU A 4 41.733 -7.146 -1.047 1.00 0.00 C ATOM 43 O LEU A 4 42.447 -7.816 -1.794 1.00 0.00 O ATOM 44 CB LEU A 4 39.267 -6.714 -1.162 1.00 0.00 C ATOM 45 CG LEU A 4 38.988 -8.208 -1.366 1.00 0.00 C ATOM 46 CD1 LEU A 4 37.689 -8.605 -0.682 1.00 0.00 C ATOM 47 CD2 LEU A 4 38.932 -8.550 -2.848 1.00 0.00 C ATOM 0 H LEU A 4 39.933 -6.599 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 4 40.814 -5.223 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.147 -6.482 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 4 38.510 -6.145 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 4 39.805 -8.771 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 4 37.506 -9.668 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 4 37.763 -8.401 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 4 36.865 -8.030 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 4 38.733 -9.615 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.137 -7.976 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.886 -8.304 -3.314 1.00 0.00 H new ATOM 59 N GLU A 5 41.847 -7.166 0.277 1.00 0.00 N ATOM 60 CA GLU A 5 42.839 -7.999 0.948 1.00 0.00 C ATOM 61 C GLU A 5 42.180 -9.226 1.570 1.00 0.00 C ATOM 62 O GLU A 5 42.667 -10.347 1.422 1.00 0.00 O ATOM 63 CB GLU A 5 43.564 -7.195 2.029 1.00 0.00 C ATOM 64 CG GLU A 5 44.653 -7.979 2.746 1.00 0.00 C ATOM 65 CD GLU A 5 45.755 -8.438 1.810 1.00 0.00 C ATOM 66 OE1 GLU A 5 46.674 -7.637 1.538 1.00 0.00 O ATOM 67 OE2 GLU A 5 45.699 -9.598 1.351 1.00 0.00 O ATOM 0 H GLU A 5 41.264 -6.615 0.907 1.00 0.00 H new ATOM 0 HA GLU A 5 43.564 -8.331 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 5 44.006 -6.308 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 5 42.835 -6.848 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 5 45.084 -7.359 3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 5 44.209 -8.848 3.232 1.00 0.00 H new ATOM 74 N GLY A 6 41.071 -9.002 2.267 1.00 0.00 N ATOM 75 CA GLY A 6 40.359 -10.093 2.903 1.00 0.00 C ATOM 76 C GLY A 6 39.252 -9.605 3.816 1.00 0.00 C ATOM 77 O GLY A 6 38.848 -10.307 4.742 1.00 0.00 O ATOM 0 H GLY A 6 40.652 -8.082 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 6 39.935 -10.742 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.062 -10.696 3.478 1.00 0.00 H new ATOM 81 N GLU A 7 38.762 -8.398 3.552 1.00 0.00 N ATOM 82 CA GLU A 7 37.695 -7.813 4.356 1.00 0.00 C ATOM 83 C GLU A 7 36.813 -6.905 3.505 1.00 0.00 C ATOM 84 O GLU A 7 37.048 -6.740 2.308 1.00 0.00 O ATOM 85 CB GLU A 7 38.283 -7.026 5.532 1.00 0.00 C ATOM 86 CG GLU A 7 39.012 -5.756 5.121 1.00 0.00 C ATOM 87 CD GLU A 7 40.215 -6.027 4.240 1.00 0.00 C ATOM 88 OE1 GLU A 7 41.276 -6.402 4.782 1.00 0.00 O ATOM 89 OE2 GLU A 7 40.097 -5.864 3.007 1.00 0.00 O ATOM 0 H GLU A 7 39.087 -7.806 2.788 1.00 0.00 H new ATOM 0 HA GLU A 7 37.080 -8.623 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 7 37.479 -6.765 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 7 38.973 -7.669 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 7 38.320 -5.101 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 7 39.335 -5.223 6.015 1.00 0.00 H new ATOM 96 N SER A 8 35.796 -6.317 4.130 1.00 0.00 N ATOM 97 CA SER A 8 34.879 -5.426 3.427 1.00 0.00 C ATOM 98 C SER A 8 34.968 -4.007 3.978 1.00 0.00 C ATOM 99 O SER A 8 35.132 -3.807 5.181 1.00 0.00 O ATOM 100 CB SER A 8 33.444 -5.942 3.545 1.00 0.00 C ATOM 101 OG SER A 8 33.040 -6.024 4.901 1.00 0.00 O ATOM 0 H SER A 8 35.587 -6.442 5.121 1.00 0.00 H new ATOM 0 HA SER A 8 35.166 -5.406 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 8 32.770 -5.280 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 8 33.369 -6.925 3.080 1.00 0.00 H new ATOM 0 HG SER A 8 32.119 -6.355 4.948 1.00 0.00 H new ATOM 107 N PHE A 9 34.860 -3.025 3.088 1.00 0.00 N ATOM 108 CA PHE A 9 34.926 -1.623 3.486 1.00 0.00 C ATOM 109 C PHE A 9 33.727 -1.246 4.351 1.00 0.00 C ATOM 110 O PHE A 9 32.750 -1.990 4.432 1.00 0.00 O ATOM 111 CB PHE A 9 34.984 -0.721 2.253 1.00 0.00 C ATOM 112 CG PHE A 9 36.245 -0.876 1.452 1.00 0.00 C ATOM 113 CD1 PHE A 9 36.341 -1.844 0.466 1.00 0.00 C ATOM 114 CD2 PHE A 9 37.335 -0.052 1.686 1.00 0.00 C ATOM 115 CE1 PHE A 9 37.501 -1.988 -0.272 1.00 0.00 C ATOM 116 CE2 PHE A 9 38.497 -0.192 0.951 1.00 0.00 C ATOM 117 CZ PHE A 9 38.579 -1.161 -0.029 1.00 0.00 C ATOM 0 H PHE A 9 34.727 -3.174 2.088 1.00 0.00 H new ATOM 0 HA PHE A 9 35.834 -1.481 4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 9 34.129 -0.939 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 9 34.890 0.318 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 9 35.500 -2.493 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 9 37.275 0.708 2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 9 37.564 -2.747 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 9 39.340 0.456 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 9 39.486 -1.272 -0.605 1.00 0.00 H new ATOM 127 N ALA A 10 33.810 -0.086 4.995 1.00 0.00 N ATOM 128 CA ALA A 10 32.732 0.391 5.854 1.00 0.00 C ATOM 129 C ALA A 10 31.440 0.573 5.066 1.00 0.00 C ATOM 130 O ALA A 10 30.345 0.413 5.606 1.00 0.00 O ATOM 131 CB ALA A 10 33.132 1.695 6.525 1.00 0.00 C ATOM 0 H ALA A 10 34.613 0.541 4.938 1.00 0.00 H new ATOM 0 HA ALA A 10 32.553 -0.361 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.319 2.040 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.025 1.534 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 10 33.340 2.447 5.764 1.00 0.00 H new ATOM 137 N LEU A 11 31.573 0.909 3.787 1.00 0.00 N ATOM 138 CA LEU A 11 30.413 1.111 2.926 1.00 0.00 C ATOM 139 C LEU A 11 30.043 -0.181 2.205 1.00 0.00 C ATOM 140 O LEU A 11 30.776 -0.650 1.334 1.00 0.00 O ATOM 141 CB LEU A 11 30.684 2.221 1.905 1.00 0.00 C ATOM 142 CG LEU A 11 30.733 3.641 2.477 1.00 0.00 C ATOM 143 CD1 LEU A 11 31.994 3.851 3.302 1.00 0.00 C ATOM 144 CD2 LEU A 11 30.653 4.668 1.357 1.00 0.00 C ATOM 0 H LEU A 11 32.471 1.047 3.324 1.00 0.00 H new ATOM 0 HA LEU A 11 29.576 1.411 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.633 2.013 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.910 2.183 1.138 1.00 0.00 H new ATOM 0 HG LEU A 11 29.872 3.773 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.005 4.867 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 11 32.011 3.140 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 11 32.870 3.697 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.689 5.672 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.494 4.531 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.719 4.538 0.810 1.00 0.00 H new ATOM 156 N SER A 12 28.903 -0.753 2.578 1.00 0.00 N ATOM 157 CA SER A 12 28.432 -1.991 1.969 1.00 0.00 C ATOM 158 C SER A 12 27.324 -1.711 0.960 1.00 0.00 C ATOM 159 O SER A 12 26.603 -0.720 1.076 1.00 0.00 O ATOM 160 CB SER A 12 27.926 -2.953 3.046 1.00 0.00 C ATOM 161 OG SER A 12 28.951 -3.266 3.974 1.00 0.00 O ATOM 0 H SER A 12 28.288 -0.378 3.300 1.00 0.00 H new ATOM 0 HA SER A 12 29.269 -2.452 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.081 -2.505 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.563 -3.868 2.579 1.00 0.00 H new ATOM 0 HG SER A 12 28.601 -3.881 4.653 1.00 0.00 H new ATOM 167 N PHE A 13 27.192 -2.589 -0.030 1.00 0.00 N ATOM 168 CA PHE A 13 26.168 -2.432 -1.057 1.00 0.00 C ATOM 169 C PHE A 13 24.774 -2.622 -0.468 1.00 0.00 C ATOM 170 O PHE A 13 23.780 -2.194 -1.053 1.00 0.00 O ATOM 171 CB PHE A 13 26.393 -3.429 -2.195 1.00 0.00 C ATOM 172 CG PHE A 13 27.642 -3.166 -2.988 1.00 0.00 C ATOM 173 CD1 PHE A 13 27.621 -2.300 -4.069 1.00 0.00 C ATOM 174 CD2 PHE A 13 28.834 -3.787 -2.654 1.00 0.00 C ATOM 175 CE1 PHE A 13 28.767 -2.057 -4.802 1.00 0.00 C ATOM 176 CE2 PHE A 13 29.983 -3.548 -3.383 1.00 0.00 C ATOM 177 CZ PHE A 13 29.950 -2.682 -4.459 1.00 0.00 C ATOM 0 H PHE A 13 27.780 -3.415 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 13 26.242 -1.419 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 13 26.441 -4.436 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 13 25.534 -3.402 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 13 26.699 -1.809 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 13 28.866 -4.466 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 13 28.738 -1.379 -5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 13 30.907 -4.038 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 13 30.847 -2.494 -5.030 1.00 0.00 H new ATOM 187 N SER A 14 24.710 -3.268 0.692 1.00 0.00 N ATOM 188 CA SER A 14 23.436 -3.514 1.359 1.00 0.00 C ATOM 189 C SER A 14 22.925 -2.247 2.036 1.00 0.00 C ATOM 190 O SER A 14 23.531 -1.751 2.986 1.00 0.00 O ATOM 191 CB SER A 14 23.583 -4.636 2.389 1.00 0.00 C ATOM 192 OG SER A 14 24.544 -4.301 3.375 1.00 0.00 O ATOM 0 H SER A 14 25.524 -3.630 1.189 1.00 0.00 H new ATOM 0 HA SER A 14 22.711 -3.819 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.621 -4.826 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.878 -5.558 1.888 1.00 0.00 H new ATOM 0 HG SER A 14 24.518 -3.336 3.542 1.00 0.00 H new ATOM 198 N SER A 15 21.807 -1.726 1.538 1.00 0.00 N ATOM 199 CA SER A 15 21.214 -0.516 2.096 1.00 0.00 C ATOM 200 C SER A 15 19.700 -0.513 1.902 1.00 0.00 C ATOM 201 O SER A 15 18.967 0.091 2.685 1.00 0.00 O ATOM 202 CB SER A 15 21.827 0.724 1.444 1.00 0.00 C ATOM 203 OG SER A 15 21.597 0.732 0.045 1.00 0.00 O ATOM 0 H SER A 15 21.295 -2.123 0.750 1.00 0.00 H new ATOM 0 HA SER A 15 21.425 -0.497 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.400 1.622 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.899 0.749 1.640 1.00 0.00 H new ATOM 0 HG SER A 15 21.997 1.536 -0.348 1.00 0.00 H new ATOM 209 N ALA A 16 19.239 -1.194 0.856 1.00 0.00 N ATOM 210 CA ALA A 16 17.812 -1.270 0.557 1.00 0.00 C ATOM 211 C ALA A 16 17.047 -1.954 1.685 1.00 0.00 C ATOM 212 O ALA A 16 15.820 -1.874 1.754 1.00 0.00 O ATOM 213 CB ALA A 16 17.586 -2.008 -0.755 1.00 0.00 C ATOM 0 H ALA A 16 19.834 -1.701 0.201 1.00 0.00 H new ATOM 0 HA ALA A 16 17.434 -0.252 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.518 -2.057 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.091 -1.478 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.988 -3.018 -0.678 1.00 0.00 H new ATOM 219 N SER A 17 17.779 -2.626 2.567 1.00 0.00 N ATOM 220 CA SER A 17 17.169 -3.326 3.691 1.00 0.00 C ATOM 221 C SER A 17 17.698 -2.788 5.017 1.00 0.00 C ATOM 222 O SER A 17 17.454 -3.369 6.074 1.00 0.00 O ATOM 223 CB SER A 17 17.440 -4.828 3.588 1.00 0.00 C ATOM 224 OG SER A 17 16.814 -5.535 4.644 1.00 0.00 O ATOM 0 H SER A 17 18.795 -2.701 2.525 1.00 0.00 H new ATOM 0 HA SER A 17 16.093 -3.156 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.076 -5.201 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 17 18.515 -5.009 3.613 1.00 0.00 H new ATOM 0 HG SER A 17 16.972 -5.066 5.490 1.00 0.00 H new ATOM 230 N ASP A 18 18.421 -1.674 4.952 1.00 0.00 N ATOM 231 CA ASP A 18 18.985 -1.060 6.149 1.00 0.00 C ATOM 232 C ASP A 18 18.731 0.445 6.171 1.00 0.00 C ATOM 233 O ASP A 18 17.667 0.897 6.594 1.00 0.00 O ATOM 234 CB ASP A 18 20.487 -1.347 6.235 1.00 0.00 C ATOM 235 CG ASP A 18 20.790 -2.831 6.303 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.847 -3.475 5.235 1.00 0.00 O ATOM 237 OD2 ASP A 18 20.970 -3.348 7.425 1.00 0.00 O ATOM 0 H ASP A 18 18.630 -1.179 4.085 1.00 0.00 H new ATOM 0 HA ASP A 18 18.490 -1.497 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.986 -0.917 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.898 -0.854 7.116 1.00 0.00 H new ATOM 242 N ALA A 19 19.712 1.216 5.713 1.00 0.00 N ATOM 243 CA ALA A 19 19.597 2.671 5.686 1.00 0.00 C ATOM 244 C ALA A 19 18.555 3.133 4.672 1.00 0.00 C ATOM 245 O ALA A 19 17.605 3.835 5.021 1.00 0.00 O ATOM 246 CB ALA A 19 20.949 3.299 5.379 1.00 0.00 C ATOM 0 H ALA A 19 20.597 0.857 5.355 1.00 0.00 H new ATOM 0 HA ALA A 19 19.267 2.998 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.850 4.384 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.666 3.012 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.300 2.951 4.407 1.00 0.00 H new ATOM 252 N GLU A 20 18.737 2.735 3.415 1.00 0.00 N ATOM 253 CA GLU A 20 17.813 3.117 2.353 1.00 0.00 C ATOM 254 C GLU A 20 16.397 2.644 2.664 1.00 0.00 C ATOM 255 O GLU A 20 15.422 3.283 2.271 1.00 0.00 O ATOM 256 CB GLU A 20 18.277 2.550 1.008 1.00 0.00 C ATOM 257 CG GLU A 20 17.412 2.976 -0.167 1.00 0.00 C ATOM 258 CD GLU A 20 17.970 2.514 -1.499 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.726 1.348 -1.873 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.651 3.320 -2.168 1.00 0.00 O ATOM 0 H GLU A 20 19.514 2.150 3.109 1.00 0.00 H new ATOM 0 HA GLU A 20 17.804 4.205 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.304 2.867 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.285 1.462 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.407 2.573 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.322 4.062 -0.172 1.00 0.00 H new ATOM 267 N PHE A 21 16.290 1.523 3.373 1.00 0.00 N ATOM 268 CA PHE A 21 14.988 0.974 3.738 1.00 0.00 C ATOM 269 C PHE A 21 14.186 1.987 4.550 1.00 0.00 C ATOM 270 O PHE A 21 13.041 2.295 4.219 1.00 0.00 O ATOM 271 CB PHE A 21 15.160 -0.321 4.537 1.00 0.00 C ATOM 272 CG PHE A 21 13.860 -0.936 4.972 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.144 -1.756 4.114 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.355 -0.694 6.239 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.948 -2.322 4.513 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.160 -1.256 6.643 1.00 0.00 C ATOM 277 CZ PHE A 21 11.455 -2.072 5.779 1.00 0.00 C ATOM 0 H PHE A 21 17.086 0.979 3.705 1.00 0.00 H new ATOM 0 HA PHE A 21 14.442 0.752 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.709 -1.042 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.768 -0.117 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.525 -1.955 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.902 -0.058 6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.399 -2.959 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.777 -1.058 7.633 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.521 -2.513 6.093 1.00 0.00 H new ATOM 287 N ASP A 22 14.797 2.502 5.615 1.00 0.00 N ATOM 288 CA ASP A 22 14.142 3.485 6.472 1.00 0.00 C ATOM 289 C ASP A 22 13.763 4.729 5.676 1.00 0.00 C ATOM 290 O ASP A 22 12.715 5.331 5.910 1.00 0.00 O ATOM 291 CB ASP A 22 15.054 3.870 7.638 1.00 0.00 C ATOM 292 CG ASP A 22 15.338 2.702 8.562 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.402 2.254 9.257 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.496 2.235 8.589 1.00 0.00 O ATOM 0 H ASP A 22 15.743 2.255 5.904 1.00 0.00 H new ATOM 0 HA ASP A 22 13.232 3.035 6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.995 4.257 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.590 4.675 8.207 1.00 0.00 H new ATOM 299 N ALA A 23 14.625 5.110 4.738 1.00 0.00 N ATOM 300 CA ALA A 23 14.376 6.280 3.905 1.00 0.00 C ATOM 301 C ALA A 23 13.068 6.132 3.136 1.00 0.00 C ATOM 302 O ALA A 23 12.287 7.078 3.033 1.00 0.00 O ATOM 303 CB ALA A 23 15.535 6.502 2.945 1.00 0.00 C ATOM 0 H ALA A 23 15.500 4.626 4.537 1.00 0.00 H new ATOM 0 HA ALA A 23 14.290 7.150 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.335 7.379 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.452 6.659 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.649 5.628 2.304 1.00 0.00 H new ATOM 309 N VAL A 24 12.833 4.937 2.600 1.00 0.00 N ATOM 310 CA VAL A 24 11.616 4.665 1.844 1.00 0.00 C ATOM 311 C VAL A 24 10.385 4.785 2.735 1.00 0.00 C ATOM 312 O VAL A 24 9.378 5.373 2.342 1.00 0.00 O ATOM 313 CB VAL A 24 11.647 3.260 1.213 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.372 2.996 0.428 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.868 3.104 0.321 1.00 0.00 C ATOM 0 H VAL A 24 13.469 4.143 2.676 1.00 0.00 H new ATOM 0 HA VAL A 24 11.562 5.408 1.048 1.00 0.00 H new ATOM 0 HB VAL A 24 11.711 2.525 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.414 1.999 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.513 3.063 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.274 3.737 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.874 2.106 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.835 3.849 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.772 3.246 0.913 1.00 0.00 H new ATOM 325 N VAL A 25 10.474 4.218 3.936 1.00 0.00 N ATOM 326 CA VAL A 25 9.370 4.269 4.887 1.00 0.00 C ATOM 327 C VAL A 25 8.955 5.713 5.149 1.00 0.00 C ATOM 328 O VAL A 25 7.771 6.010 5.310 1.00 0.00 O ATOM 329 CB VAL A 25 9.746 3.596 6.224 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.583 3.655 7.202 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.182 2.156 5.992 1.00 0.00 C ATOM 0 H VAL A 25 11.298 3.719 4.272 1.00 0.00 H new ATOM 0 HA VAL A 25 8.536 3.724 4.445 1.00 0.00 H new ATOM 0 HB VAL A 25 10.583 4.142 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.870 3.175 8.138 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.321 4.696 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.723 3.137 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.443 1.697 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.366 1.598 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.049 2.140 5.332 1.00 0.00 H new ATOM 341 N GLY A 26 9.940 6.606 5.186 1.00 0.00 N ATOM 342 CA GLY A 26 9.662 8.011 5.418 1.00 0.00 C ATOM 343 C GLY A 26 8.901 8.641 4.268 1.00 0.00 C ATOM 344 O GLY A 26 7.927 9.365 4.481 1.00 0.00 O ATOM 0 H GLY A 26 10.927 6.380 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.084 8.119 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.600 8.546 5.567 1.00 0.00 H new ATOM 348 N TYR A 27 9.348 8.365 3.045 1.00 0.00 N ATOM 349 CA TYR A 27 8.699 8.906 1.855 1.00 0.00 C ATOM 350 C TYR A 27 7.251 8.441 1.774 1.00 0.00 C ATOM 351 O TYR A 27 6.371 9.189 1.347 1.00 0.00 O ATOM 352 CB TYR A 27 9.451 8.480 0.590 1.00 0.00 C ATOM 353 CG TYR A 27 10.861 9.023 0.500 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.121 10.374 0.698 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.932 8.185 0.212 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.406 10.874 0.613 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.220 8.678 0.126 1.00 0.00 C ATOM 358 CZ TYR A 27 13.451 10.022 0.327 1.00 0.00 C ATOM 359 OH TYR A 27 14.733 10.516 0.242 1.00 0.00 O ATOM 0 H TYR A 27 10.155 7.771 2.853 1.00 0.00 H new ATOM 0 HA TYR A 27 8.716 9.993 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.489 7.391 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.889 8.811 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.304 11.044 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.755 7.132 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.591 11.926 0.770 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.042 8.014 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 27 15.352 9.785 0.035 1.00 0.00 H new ATOM 369 N LEU A 28 7.012 7.200 2.184 1.00 0.00 N ATOM 370 CA LEU A 28 5.670 6.630 2.162 1.00 0.00 C ATOM 371 C LEU A 28 4.743 7.393 3.101 1.00 0.00 C ATOM 372 O LEU A 28 3.619 7.733 2.735 1.00 0.00 O ATOM 373 CB LEU A 28 5.714 5.152 2.555 1.00 0.00 C ATOM 374 CG LEU A 28 6.451 4.240 1.571 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.696 2.875 2.193 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.661 4.103 0.278 1.00 0.00 C ATOM 0 H LEU A 28 7.732 6.569 2.536 1.00 0.00 H new ATOM 0 HA LEU A 28 5.281 6.715 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.189 5.066 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.692 4.791 2.665 1.00 0.00 H new ATOM 0 HG LEU A 28 7.416 4.691 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.221 2.239 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.301 2.988 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.742 2.417 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.199 3.451 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.682 3.674 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.534 5.085 -0.177 1.00 0.00 H new ATOM 388 N GLU A 29 5.225 7.661 4.313 1.00 0.00 N ATOM 389 CA GLU A 29 4.440 8.386 5.307 1.00 0.00 C ATOM 390 C GLU A 29 3.977 9.732 4.760 1.00 0.00 C ATOM 391 O GLU A 29 2.828 10.129 4.957 1.00 0.00 O ATOM 392 CB GLU A 29 5.258 8.597 6.582 1.00 0.00 C ATOM 393 CG GLU A 29 5.578 7.307 7.319 1.00 0.00 C ATOM 394 CD GLU A 29 6.400 7.541 8.572 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.798 7.761 9.644 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.645 7.503 8.481 1.00 0.00 O ATOM 0 H GLU A 29 6.155 7.387 4.629 1.00 0.00 H new ATOM 0 HA GLU A 29 3.560 7.787 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.190 9.101 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.710 9.261 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.648 6.806 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.121 6.637 6.652 1.00 0.00 H new ATOM 403 N ASP A 30 4.879 10.430 4.076 1.00 0.00 N ATOM 404 CA ASP A 30 4.562 11.732 3.499 1.00 0.00 C ATOM 405 C ASP A 30 3.403 11.621 2.513 1.00 0.00 C ATOM 406 O ASP A 30 2.605 12.547 2.371 1.00 0.00 O ATOM 407 CB ASP A 30 5.789 12.315 2.797 1.00 0.00 C ATOM 408 CG ASP A 30 5.537 13.708 2.251 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.752 14.686 2.997 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.125 13.820 1.078 1.00 0.00 O ATOM 0 H ASP A 30 5.835 10.116 3.908 1.00 0.00 H new ATOM 0 HA ASP A 30 4.265 12.398 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.623 12.348 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.084 11.656 1.981 1.00 0.00 H new ATOM 415 N ILE A 31 3.319 10.480 1.835 1.00 0.00 N ATOM 416 CA ILE A 31 2.261 10.245 0.859 1.00 0.00 C ATOM 417 C ILE A 31 0.949 9.868 1.541 1.00 0.00 C ATOM 418 O ILE A 31 -0.123 10.299 1.119 1.00 0.00 O ATOM 419 CB ILE A 31 2.656 9.134 -0.135 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.946 9.515 -0.864 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.531 8.882 -1.131 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.504 8.408 -1.732 1.00 0.00 C ATOM 0 H ILE A 31 3.972 9.704 1.944 1.00 0.00 H new ATOM 0 HA ILE A 31 2.120 11.178 0.313 1.00 0.00 H new ATOM 0 HB ILE A 31 2.829 8.213 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.757 10.391 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.698 9.802 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.828 8.095 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.633 8.574 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.326 9.797 -1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.418 8.751 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.726 7.538 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.771 8.136 -2.491 1.00 0.00 H new ATOM 434 N ILE A 32 1.039 9.065 2.597 1.00 0.00 N ATOM 435 CA ILE A 32 -0.147 8.633 3.331 1.00 0.00 C ATOM 436 C ILE A 32 -0.836 9.816 4.004 1.00 0.00 C ATOM 437 O ILE A 32 -2.063 9.856 4.103 1.00 0.00 O ATOM 438 CB ILE A 32 0.204 7.577 4.400 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.887 6.372 3.750 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.049 7.142 5.151 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.369 5.335 4.743 1.00 0.00 C ATOM 0 H ILE A 32 1.918 8.701 2.963 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.825 8.187 2.603 1.00 0.00 H new ATOM 0 HB ILE A 32 0.895 8.022 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.190 5.901 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.736 6.721 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.783 6.397 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.498 8.006 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.763 6.711 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.842 4.511 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.091 5.789 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.521 4.957 5.315 1.00 0.00 H new ATOM 453 N MET A 33 -0.042 10.778 4.461 1.00 0.00 N ATOM 454 CA MET A 33 -0.580 11.957 5.129 1.00 0.00 C ATOM 455 C MET A 33 -0.829 13.087 4.135 1.00 0.00 C ATOM 456 O MET A 33 -1.176 14.203 4.524 1.00 0.00 O ATOM 457 CB MET A 33 0.377 12.429 6.226 1.00 0.00 C ATOM 458 CG MET A 33 0.678 11.366 7.271 1.00 0.00 C ATOM 459 SD MET A 33 1.731 11.977 8.601 1.00 0.00 S ATOM 460 CE MET A 33 3.197 12.446 7.686 1.00 0.00 C ATOM 0 H MET A 33 0.975 10.765 4.381 1.00 0.00 H new ATOM 0 HA MET A 33 -1.533 11.681 5.580 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.312 12.750 5.767 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.052 13.301 6.720 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.259 11.001 7.693 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.163 10.517 6.790 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.044 12.520 8.368 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.408 11.694 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.033 13.411 7.206 1.00 0.00 H new ATOM 470 N ASP A 34 -0.653 12.791 2.851 1.00 0.00 N ATOM 471 CA ASP A 34 -0.863 13.783 1.804 1.00 0.00 C ATOM 472 C ASP A 34 -2.354 14.020 1.580 1.00 0.00 C ATOM 473 O ASP A 34 -3.130 13.073 1.457 1.00 0.00 O ATOM 474 CB ASP A 34 -0.200 13.328 0.503 1.00 0.00 C ATOM 475 CG ASP A 34 -0.338 14.351 -0.607 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.339 14.288 -1.349 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.555 15.215 -0.733 1.00 0.00 O ATOM 0 H ASP A 34 -0.366 11.873 2.511 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.408 14.721 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.857 13.135 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.645 12.386 0.182 1.00 0.00 H new ATOM 482 N ASP A 35 -2.746 15.290 1.530 1.00 0.00 N ATOM 483 CA ASP A 35 -4.145 15.656 1.330 1.00 0.00 C ATOM 484 C ASP A 35 -4.704 15.048 0.046 1.00 0.00 C ATOM 485 O ASP A 35 -5.752 14.401 0.060 1.00 0.00 O ATOM 486 CB ASP A 35 -4.291 17.179 1.290 1.00 0.00 C ATOM 487 CG ASP A 35 -3.898 17.832 2.600 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.686 18.036 2.821 1.00 0.00 O ATOM 489 OD2 ASP A 35 -4.802 18.137 3.406 1.00 0.00 O ATOM 0 H ASP A 35 -2.113 16.084 1.625 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.716 15.258 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.672 17.580 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.324 17.436 1.054 1.00 0.00 H new ATOM 494 N GLU A 36 -3.998 15.258 -1.060 1.00 0.00 N ATOM 495 CA GLU A 36 -4.425 14.737 -2.355 1.00 0.00 C ATOM 496 C GLU A 36 -4.562 13.216 -2.321 1.00 0.00 C ATOM 497 O GLU A 36 -5.336 12.636 -3.083 1.00 0.00 O ATOM 498 CB GLU A 36 -3.428 15.149 -3.441 1.00 0.00 C ATOM 499 CG GLU A 36 -3.809 14.678 -4.834 1.00 0.00 C ATOM 500 CD GLU A 36 -2.794 15.088 -5.883 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.826 14.329 -6.101 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.965 16.169 -6.485 1.00 0.00 O ATOM 0 H GLU A 36 -3.126 15.786 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.403 15.160 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.340 16.235 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.445 14.750 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.907 13.592 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.785 15.086 -5.098 1.00 0.00 H new ATOM 509 N PHE A 37 -3.811 12.576 -1.430 1.00 0.00 N ATOM 510 CA PHE A 37 -3.847 11.123 -1.301 1.00 0.00 C ATOM 511 C PHE A 37 -5.124 10.661 -0.604 1.00 0.00 C ATOM 512 O PHE A 37 -5.715 9.650 -0.984 1.00 0.00 O ATOM 513 CB PHE A 37 -2.622 10.630 -0.528 1.00 0.00 C ATOM 514 CG PHE A 37 -2.630 9.151 -0.267 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.352 8.253 -1.285 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.914 8.659 0.998 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.359 6.892 -1.048 1.00 0.00 C ATOM 518 CE2 PHE A 37 -2.922 7.299 1.241 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.644 6.414 0.217 1.00 0.00 C ATOM 0 H PHE A 37 -3.170 13.041 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.834 10.697 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.722 10.887 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.567 11.158 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.127 8.621 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.131 9.346 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.142 6.202 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.145 6.928 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.649 5.350 0.405 1.00 0.00 H new ATOM 529 N GLN A 38 -5.542 11.403 0.415 1.00 0.00 N ATOM 530 CA GLN A 38 -6.747 11.062 1.162 1.00 0.00 C ATOM 531 C GLN A 38 -7.993 11.251 0.303 1.00 0.00 C ATOM 532 O GLN A 38 -8.959 10.497 0.419 1.00 0.00 O ATOM 533 CB GLN A 38 -6.849 11.919 2.425 1.00 0.00 C ATOM 534 CG GLN A 38 -5.693 11.717 3.389 1.00 0.00 C ATOM 535 CD GLN A 38 -5.767 12.641 4.589 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.852 13.020 5.028 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.609 13.012 5.123 1.00 0.00 N ATOM 0 H GLN A 38 -5.065 12.243 0.742 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.682 10.012 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.894 12.970 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.783 11.688 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.687 10.682 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.753 11.884 2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.733 12.673 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.596 13.636 5.930 1.00 0.00 H new ATOM 546 N LEU A 39 -7.959 12.259 -0.562 1.00 0.00 N ATOM 547 CA LEU A 39 -9.084 12.554 -1.443 1.00 0.00 C ATOM 548 C LEU A 39 -9.255 11.465 -2.499 1.00 0.00 C ATOM 549 O LEU A 39 -10.372 11.031 -2.780 1.00 0.00 O ATOM 550 CB LEU A 39 -8.881 13.911 -2.121 1.00 0.00 C ATOM 551 CG LEU A 39 -9.962 14.303 -3.130 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.303 14.488 -2.436 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.563 15.570 -3.871 1.00 0.00 C ATOM 0 H LEU A 39 -7.163 12.887 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.989 12.587 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.830 14.680 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.917 13.905 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.063 13.496 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.058 14.767 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.594 13.556 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.219 15.275 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.343 15.835 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.433 16.383 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.627 15.401 -4.403 1.00 0.00 H new ATOM 565 N LEU A 40 -8.141 11.033 -3.082 1.00 0.00 N ATOM 566 CA LEU A 40 -8.163 9.996 -4.110 1.00 0.00 C ATOM 567 C LEU A 40 -8.705 8.680 -3.558 1.00 0.00 C ATOM 568 O LEU A 40 -9.627 8.089 -4.124 1.00 0.00 O ATOM 569 CB LEU A 40 -6.753 9.792 -4.675 1.00 0.00 C ATOM 570 CG LEU A 40 -6.616 8.676 -5.714 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.657 9.091 -6.820 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.137 7.391 -5.052 1.00 0.00 C ATOM 0 H LEU A 40 -7.210 11.385 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.828 10.323 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.422 10.727 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.076 9.580 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.596 8.495 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.572 8.285 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.035 9.987 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.676 9.298 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.045 6.607 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.167 7.562 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.856 7.083 -4.293 1.00 0.00 H new ATOM 584 N GLN A 41 -8.130 8.227 -2.449 1.00 0.00 N ATOM 585 CA GLN A 41 -8.548 6.977 -1.823 1.00 0.00 C ATOM 586 C GLN A 41 -10.023 7.021 -1.427 1.00 0.00 C ATOM 587 O GLN A 41 -10.784 6.107 -1.739 1.00 0.00 O ATOM 588 CB GLN A 41 -7.686 6.687 -0.593 1.00 0.00 C ATOM 589 CG GLN A 41 -8.031 5.378 0.098 1.00 0.00 C ATOM 590 CD GLN A 41 -7.227 5.152 1.364 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.870 6.237 2.043 1.00 0.00 O flip ATOM 592 NE2 GLN A 41 -6.934 4.014 1.732 1.00 0.00 N flip ATOM 0 H GLN A 41 -7.372 8.707 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.415 6.177 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.638 6.665 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.798 7.504 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.093 5.370 0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.856 4.552 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.228 3.208 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.397 3.877 2.588 1.00 0.00 H new ATOM 601 N ARG A 42 -10.417 8.089 -0.741 1.00 0.00 N ATOM 602 CA ARG A 42 -11.798 8.250 -0.294 1.00 0.00 C ATOM 603 C ARG A 42 -12.764 8.313 -1.474 1.00 0.00 C ATOM 604 O ARG A 42 -13.871 7.777 -1.410 1.00 0.00 O ATOM 605 CB ARG A 42 -11.932 9.518 0.553 1.00 0.00 C ATOM 606 CG ARG A 42 -13.335 9.747 1.092 1.00 0.00 C ATOM 607 CD ARG A 42 -13.412 11.021 1.917 1.00 0.00 C ATOM 608 NE ARG A 42 -13.002 12.197 1.152 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.785 13.390 1.696 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.937 13.566 3.002 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.415 14.411 0.933 1.00 0.00 N ATOM 0 H ARG A 42 -9.799 8.858 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.056 7.379 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.236 9.461 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.638 10.379 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.040 9.806 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.634 8.897 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.432 11.159 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.776 10.922 2.797 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.875 12.097 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.221 12.784 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.770 14.483 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.297 14.280 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.249 15.326 1.351 1.00 0.00 H new ATOM 625 N ASN A 43 -12.339 8.969 -2.550 1.00 0.00 N ATOM 626 CA ASN A 43 -13.172 9.114 -3.740 1.00 0.00 C ATOM 627 C ASN A 43 -13.604 7.755 -4.283 1.00 0.00 C ATOM 628 O ASN A 43 -14.782 7.538 -4.569 1.00 0.00 O ATOM 629 CB ASN A 43 -12.417 9.891 -4.822 1.00 0.00 C ATOM 630 CG ASN A 43 -13.298 10.260 -6.001 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.250 9.552 -6.330 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.982 11.376 -6.647 1.00 0.00 N ATOM 0 H ASN A 43 -11.422 9.409 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.067 9.667 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.000 10.799 -4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.577 9.292 -5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.537 11.676 -7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.185 11.934 -6.341 1.00 0.00 H new ATOM 639 N PHE A 44 -12.648 6.843 -4.422 1.00 0.00 N ATOM 640 CA PHE A 44 -12.936 5.511 -4.941 1.00 0.00 C ATOM 641 C PHE A 44 -13.644 4.644 -3.902 1.00 0.00 C ATOM 642 O PHE A 44 -14.530 3.861 -4.242 1.00 0.00 O ATOM 643 CB PHE A 44 -11.646 4.834 -5.408 1.00 0.00 C ATOM 644 CG PHE A 44 -11.149 5.350 -6.728 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.682 6.649 -6.849 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.156 4.538 -7.850 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.229 7.128 -8.064 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.705 5.011 -9.068 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.242 6.307 -9.175 1.00 0.00 C ATOM 0 H PHE A 44 -11.669 7.001 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.608 5.624 -5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.873 4.981 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.815 3.760 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.672 7.295 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.518 3.523 -7.772 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.866 8.142 -8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.715 4.367 -9.935 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.890 6.679 -10.126 1.00 0.00 H new ATOM 659 N MET A 45 -13.257 4.789 -2.638 1.00 0.00 N ATOM 660 CA MET A 45 -13.864 4.011 -1.560 1.00 0.00 C ATOM 661 C MET A 45 -15.365 4.266 -1.472 1.00 0.00 C ATOM 662 O MET A 45 -16.120 3.417 -0.995 1.00 0.00 O ATOM 663 CB MET A 45 -13.203 4.340 -0.221 1.00 0.00 C ATOM 664 CG MET A 45 -11.834 3.706 -0.046 1.00 0.00 C ATOM 665 SD MET A 45 -11.129 4.019 1.584 1.00 0.00 S ATOM 666 CE MET A 45 -12.377 3.284 2.638 1.00 0.00 C ATOM 0 H MET A 45 -12.529 5.435 -2.335 1.00 0.00 H new ATOM 0 HA MET A 45 -13.706 2.956 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.107 5.422 -0.129 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.854 4.007 0.587 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.913 2.630 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.159 4.091 -0.810 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.930 3.009 3.593 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.180 4.002 2.806 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.781 2.394 2.157 1.00 0.00 H new ATOM 676 N ASP A 46 -15.793 5.437 -1.931 1.00 0.00 N ATOM 677 CA ASP A 46 -17.205 5.801 -1.903 1.00 0.00 C ATOM 678 C ASP A 46 -18.037 4.826 -2.732 1.00 0.00 C ATOM 679 O ASP A 46 -19.203 4.576 -2.426 1.00 0.00 O ATOM 680 CB ASP A 46 -17.395 7.227 -2.425 1.00 0.00 C ATOM 681 CG ASP A 46 -18.836 7.687 -2.337 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.613 7.389 -3.269 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.189 8.347 -1.337 1.00 0.00 O ATOM 0 H ASP A 46 -15.182 6.151 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.547 5.751 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.764 7.907 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.063 7.279 -3.462 1.00 0.00 H new ATOM 688 N LYS A 47 -17.432 4.282 -3.782 1.00 0.00 N ATOM 689 CA LYS A 47 -18.119 3.338 -4.658 1.00 0.00 C ATOM 690 C LYS A 47 -17.804 1.894 -4.273 1.00 0.00 C ATOM 691 O LYS A 47 -18.692 1.042 -4.237 1.00 0.00 O ATOM 692 CB LYS A 47 -17.715 3.582 -6.113 1.00 0.00 C ATOM 693 CG LYS A 47 -18.019 4.988 -6.607 1.00 0.00 C ATOM 694 CD LYS A 47 -19.511 5.278 -6.596 1.00 0.00 C ATOM 695 CE LYS A 47 -19.808 6.681 -7.099 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.084 7.718 -6.312 1.00 0.00 N ATOM 0 H LYS A 47 -16.467 4.478 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.191 3.497 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.647 3.392 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.232 2.864 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.503 5.714 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.632 5.110 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.029 4.549 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.898 5.164 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.524 6.758 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.881 6.867 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.451 8.660 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.227 7.546 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.068 7.674 -6.531 1.00 0.00 H new ATOM 710 N TYR A 48 -16.533 1.628 -3.994 1.00 0.00 N ATOM 711 CA TYR A 48 -16.088 0.289 -3.616 1.00 0.00 C ATOM 712 C TYR A 48 -16.885 -0.257 -2.431 1.00 0.00 C ATOM 713 O TYR A 48 -17.383 -1.381 -2.476 1.00 0.00 O ATOM 714 CB TYR A 48 -14.596 0.306 -3.269 1.00 0.00 C ATOM 715 CG TYR A 48 -13.676 0.324 -4.474 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.872 1.223 -5.516 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.605 -0.558 -4.563 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.029 1.241 -6.612 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.757 -0.544 -5.655 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.973 0.357 -6.676 1.00 0.00 C ATOM 721 OH TYR A 48 -11.130 0.374 -7.764 1.00 0.00 O ATOM 0 H TYR A 48 -15.788 2.325 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.258 -0.367 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.388 1.182 -2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.366 -0.571 -2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.696 1.919 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.433 -1.266 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.197 1.944 -7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.929 -1.236 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.523 0.924 -8.474 1.00 0.00 H new ATOM 731 N TYR A 49 -17.006 0.545 -1.376 1.00 0.00 N ATOM 732 CA TYR A 49 -17.727 0.127 -0.175 1.00 0.00 C ATOM 733 C TYR A 49 -19.193 -0.191 -0.478 1.00 0.00 C ATOM 734 O TYR A 49 -19.853 -0.891 0.291 1.00 0.00 O ATOM 735 CB TYR A 49 -17.616 1.203 0.916 1.00 0.00 C ATOM 736 CG TYR A 49 -18.845 2.073 1.082 1.00 0.00 C ATOM 737 CD1 TYR A 49 -19.025 3.213 0.309 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.820 1.758 2.021 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.141 4.014 0.468 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.939 2.552 2.184 1.00 0.00 C ATOM 741 CZ TYR A 49 -21.094 3.679 1.405 1.00 0.00 C ATOM 742 OH TYR A 49 -22.206 4.474 1.566 1.00 0.00 O ATOM 0 H TYR A 49 -16.615 1.486 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.265 -0.790 0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.403 0.715 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.764 1.843 0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.281 3.478 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.701 0.877 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.265 4.898 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.688 2.291 2.917 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.779 4.097 2.266 1.00 0.00 H new ATOM 752 N LEU A 50 -19.697 0.322 -1.597 1.00 0.00 N ATOM 753 CA LEU A 50 -21.084 0.079 -1.987 1.00 0.00 C ATOM 754 C LEU A 50 -21.243 -1.305 -2.604 1.00 0.00 C ATOM 755 O LEU A 50 -22.164 -2.046 -2.261 1.00 0.00 O ATOM 756 CB LEU A 50 -21.560 1.144 -2.976 1.00 0.00 C ATOM 757 CG LEU A 50 -21.772 2.537 -2.382 1.00 0.00 C ATOM 758 CD1 LEU A 50 -22.108 3.535 -3.479 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.874 2.505 -1.333 1.00 0.00 C ATOM 0 H LEU A 50 -19.170 0.905 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.696 0.131 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.832 1.218 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.497 0.810 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.847 2.853 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.256 4.522 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.289 3.576 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.020 3.223 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.012 3.504 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.804 2.170 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.596 1.818 -0.534 1.00 0.00 H new ATOM 771 N GLU A 51 -20.340 -1.646 -3.517 1.00 0.00 N ATOM 772 CA GLU A 51 -20.380 -2.943 -4.183 1.00 0.00 C ATOM 773 C GLU A 51 -19.985 -4.060 -3.223 1.00 0.00 C ATOM 774 O GLU A 51 -20.449 -5.194 -3.349 1.00 0.00 O ATOM 775 CB GLU A 51 -19.454 -2.946 -5.401 1.00 0.00 C ATOM 776 CG GLU A 51 -20.021 -2.205 -6.602 1.00 0.00 C ATOM 777 CD GLU A 51 -20.228 -0.726 -6.337 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.294 -0.364 -5.796 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.326 0.070 -6.674 1.00 0.00 O ATOM 0 H GLU A 51 -19.572 -1.043 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.403 -3.121 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.502 -2.495 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.247 -3.977 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.346 -2.327 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.973 -2.655 -6.885 1.00 0.00 H new ATOM 786 N PHE A 52 -19.129 -3.730 -2.263 1.00 0.00 N ATOM 787 CA PHE A 52 -18.673 -4.704 -1.279 1.00 0.00 C ATOM 788 C PHE A 52 -19.748 -4.957 -0.227 1.00 0.00 C ATOM 789 O PHE A 52 -19.780 -4.301 0.814 1.00 0.00 O ATOM 790 CB PHE A 52 -17.385 -4.223 -0.608 1.00 0.00 C ATOM 791 CG PHE A 52 -16.135 -4.661 -1.319 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.713 -4.017 -2.471 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.383 -5.718 -0.832 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.564 -4.419 -3.125 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.233 -6.124 -1.481 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.823 -5.474 -2.629 1.00 0.00 C ATOM 0 H PHE A 52 -18.737 -2.796 -2.145 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.471 -5.641 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.399 -3.134 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.359 -4.594 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.289 -3.191 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.699 -6.230 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.246 -3.909 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.655 -6.949 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.924 -5.790 -3.138 1.00 0.00 H new ATOM 806 N GLU A 53 -20.635 -5.905 -0.514 1.00 0.00 N ATOM 807 CA GLU A 53 -21.712 -6.249 0.407 1.00 0.00 C ATOM 808 C GLU A 53 -21.228 -7.239 1.461 1.00 0.00 C ATOM 809 O GLU A 53 -20.243 -7.948 1.255 1.00 0.00 O ATOM 810 CB GLU A 53 -22.896 -6.841 -0.358 1.00 0.00 C ATOM 811 CG GLU A 53 -23.486 -5.898 -1.393 1.00 0.00 C ATOM 812 CD GLU A 53 -24.667 -6.503 -2.127 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.447 -7.160 -3.166 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.811 -6.321 -1.661 1.00 0.00 O ATOM 0 H GLU A 53 -20.629 -6.448 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.033 -5.336 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.575 -7.757 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.674 -7.119 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.801 -4.977 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.715 -5.627 -2.114 1.00 0.00 H new ATOM 821 N ASP A 54 -21.929 -7.284 2.590 1.00 0.00 N ATOM 822 CA ASP A 54 -21.578 -8.181 3.676 1.00 0.00 C ATOM 823 C ASP A 54 -22.058 -9.603 3.395 1.00 0.00 C ATOM 824 O ASP A 54 -21.979 -10.476 4.260 1.00 0.00 O ATOM 825 CB ASP A 54 -22.192 -7.672 4.978 1.00 0.00 C ATOM 826 CG ASP A 54 -23.662 -7.333 4.833 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.503 -8.230 5.052 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.973 -6.169 4.503 1.00 0.00 O ATOM 0 H ASP A 54 -22.748 -6.704 2.773 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.492 -8.204 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.072 -8.429 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.649 -6.787 5.310 1.00 0.00 H new ATOM 833 N THR A 55 -22.554 -9.832 2.182 1.00 0.00 N ATOM 834 CA THR A 55 -23.048 -11.150 1.794 1.00 0.00 C ATOM 835 C THR A 55 -21.910 -12.161 1.698 1.00 0.00 C ATOM 836 O THR A 55 -20.777 -11.806 1.374 1.00 0.00 O ATOM 837 CB THR A 55 -23.792 -11.102 0.446 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.961 -10.501 -0.554 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.091 -10.322 0.570 1.00 0.00 C ATOM 0 H THR A 55 -22.624 -9.123 1.452 1.00 0.00 H new ATOM 0 HA THR A 55 -23.744 -11.464 2.572 1.00 0.00 H new ATOM 0 HB THR A 55 -24.029 -12.125 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.442 -10.477 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.597 -10.303 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.734 -10.801 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.874 -9.302 0.886 1.00 0.00 H new ATOM 847 N GLU A 56 -22.222 -13.423 1.979 1.00 0.00 N ATOM 848 CA GLU A 56 -21.226 -14.487 1.926 1.00 0.00 C ATOM 849 C GLU A 56 -20.956 -14.909 0.485 1.00 0.00 C ATOM 850 O GLU A 56 -19.868 -15.384 0.161 1.00 0.00 O ATOM 851 CB GLU A 56 -21.693 -15.693 2.744 1.00 0.00 C ATOM 852 CG GLU A 56 -21.976 -15.367 4.202 1.00 0.00 C ATOM 853 CD GLU A 56 -20.753 -14.847 4.932 1.00 0.00 C ATOM 854 OE1 GLU A 56 -19.992 -15.673 5.479 1.00 0.00 O ATOM 855 OE2 GLU A 56 -20.558 -13.614 4.958 1.00 0.00 O ATOM 0 H GLU A 56 -23.156 -13.733 2.246 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.299 -14.104 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.596 -16.102 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.931 -16.471 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.771 -14.623 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.342 -16.262 4.706 1.00 0.00 H new ATOM 862 N GLU A 57 -21.955 -14.734 -0.376 1.00 0.00 N ATOM 863 CA GLU A 57 -21.824 -15.096 -1.784 1.00 0.00 C ATOM 864 C GLU A 57 -20.869 -14.148 -2.505 1.00 0.00 C ATOM 865 O GLU A 57 -20.967 -12.928 -2.367 1.00 0.00 O ATOM 866 CB GLU A 57 -23.194 -15.078 -2.468 1.00 0.00 C ATOM 867 CG GLU A 57 -23.157 -15.533 -3.918 1.00 0.00 C ATOM 868 CD GLU A 57 -24.506 -15.419 -4.600 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.313 -16.365 -4.483 1.00 0.00 O ATOM 870 OE2 GLU A 57 -24.756 -14.383 -5.252 1.00 0.00 O ATOM 0 H GLU A 57 -22.863 -14.344 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.413 -16.104 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.877 -15.720 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.600 -14.067 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.427 -14.936 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.818 -16.568 -3.961 1.00 0.00 H new ATOM 877 N ASN A 58 -19.947 -14.719 -3.275 1.00 0.00 N ATOM 878 CA ASN A 58 -18.975 -13.927 -4.020 1.00 0.00 C ATOM 879 C ASN A 58 -19.408 -13.767 -5.474 1.00 0.00 C ATOM 880 O ASN A 58 -20.165 -14.584 -5.998 1.00 0.00 O ATOM 881 CB ASN A 58 -17.593 -14.583 -3.957 1.00 0.00 C ATOM 882 CG ASN A 58 -17.040 -14.645 -2.546 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.387 -13.660 -1.725 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 -16.305 -15.570 -2.197 1.00 0.00 N flip ATOM 0 H ASN A 58 -19.853 -15.727 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.921 -12.939 -3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.655 -15.592 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.902 -14.027 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.063 -16.307 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.938 -15.599 -1.246 1.00 0.00 H new ATOM 891 N LYS A 59 -18.924 -12.710 -6.120 1.00 0.00 N ATOM 892 CA LYS A 59 -19.264 -12.446 -7.514 1.00 0.00 C ATOM 893 C LYS A 59 -18.014 -12.172 -8.343 1.00 0.00 C ATOM 894 O LYS A 59 -16.927 -11.972 -7.801 1.00 0.00 O ATOM 895 CB LYS A 59 -20.223 -11.260 -7.614 1.00 0.00 C ATOM 896 CG LYS A 59 -21.553 -11.493 -6.915 1.00 0.00 C ATOM 897 CD LYS A 59 -22.476 -10.291 -7.050 1.00 0.00 C ATOM 898 CE LYS A 59 -22.931 -10.088 -8.488 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.778 -8.872 -8.635 1.00 0.00 N ATOM 0 H LYS A 59 -18.296 -12.024 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.753 -13.336 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.745 -10.380 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.408 -11.041 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.037 -12.373 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.378 -11.701 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.347 -10.427 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.961 -9.396 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.059 -10.004 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.491 -10.963 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.068 -8.769 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.623 -8.963 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.236 -8.034 -8.344 1.00 0.00 H new ATOM 913 N LEU A 60 -18.181 -12.163 -9.661 1.00 0.00 N ATOM 914 CA LEU A 60 -17.072 -11.917 -10.574 1.00 0.00 C ATOM 915 C LEU A 60 -16.773 -10.426 -10.687 1.00 0.00 C ATOM 916 O LEU A 60 -15.736 -10.033 -11.218 1.00 0.00 O ATOM 917 CB LEU A 60 -17.383 -12.486 -11.961 1.00 0.00 C ATOM 918 CG LEU A 60 -17.484 -14.012 -12.038 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.797 -14.496 -11.441 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.345 -14.479 -13.478 1.00 0.00 C ATOM 0 H LEU A 60 -19.077 -12.324 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.193 -12.418 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.324 -12.059 -12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.609 -12.155 -12.653 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.669 -14.441 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.848 -15.583 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.855 -14.192 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.630 -14.060 -11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.419 -15.566 -13.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.139 -14.040 -14.081 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.377 -14.167 -13.870 1.00 0.00 H new ATOM 932 N ILE A 61 -17.688 -9.600 -10.186 1.00 0.00 N ATOM 933 CA ILE A 61 -17.520 -8.151 -10.236 1.00 0.00 C ATOM 934 C ILE A 61 -16.322 -7.711 -9.399 1.00 0.00 C ATOM 935 O ILE A 61 -15.761 -6.633 -9.610 1.00 0.00 O ATOM 936 CB ILE A 61 -18.788 -7.422 -9.741 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.682 -5.916 -9.999 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.017 -7.693 -8.260 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.720 -5.547 -11.467 1.00 0.00 C ATOM 0 H ILE A 61 -18.552 -9.909 -9.741 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.345 -7.883 -11.278 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.642 -7.806 -10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.499 -5.410 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.753 -5.546 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.915 -7.171 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.141 -8.764 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.160 -7.338 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.640 -4.465 -11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.887 -6.024 -11.984 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.660 -5.886 -11.903 1.00 0.00 H new ATOM 951 N TYR A 62 -15.929 -8.557 -8.452 1.00 0.00 N ATOM 952 CA TYR A 62 -14.798 -8.258 -7.584 1.00 0.00 C ATOM 953 C TYR A 62 -13.477 -8.363 -8.342 1.00 0.00 C ATOM 954 O TYR A 62 -12.442 -7.902 -7.861 1.00 0.00 O ATOM 955 CB TYR A 62 -14.789 -9.203 -6.379 1.00 0.00 C ATOM 956 CG TYR A 62 -15.934 -8.971 -5.418 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.196 -9.493 -5.672 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.753 -8.229 -4.257 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.245 -9.282 -4.797 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.797 -8.015 -3.376 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.040 -8.543 -3.651 1.00 0.00 C ATOM 962 OH TYR A 62 -19.082 -8.332 -2.777 1.00 0.00 O ATOM 0 H TYR A 62 -16.377 -9.454 -8.267 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.907 -7.232 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.828 -10.232 -6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.847 -9.086 -5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.360 -10.073 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.781 -7.813 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.220 -9.694 -5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.639 -7.437 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.770 -7.793 -2.020 1.00 0.00 H new ATOM 972 N THR A 63 -13.513 -8.967 -9.528 1.00 0.00 N ATOM 973 CA THR A 63 -12.308 -9.118 -10.337 1.00 0.00 C ATOM 974 C THR A 63 -11.925 -7.799 -11.018 1.00 0.00 C ATOM 975 O THR A 63 -10.787 -7.348 -10.888 1.00 0.00 O ATOM 976 CB THR A 63 -12.464 -10.226 -11.401 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.822 -11.461 -10.771 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.172 -10.410 -12.184 1.00 0.00 C ATOM 0 H THR A 63 -14.357 -9.357 -9.947 1.00 0.00 H new ATOM 0 HA THR A 63 -11.510 -9.408 -9.654 1.00 0.00 H new ATOM 0 HB THR A 63 -13.252 -9.927 -12.093 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.921 -12.159 -11.452 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.306 -11.196 -12.928 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.914 -9.477 -12.685 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.370 -10.690 -11.501 1.00 0.00 H new ATOM 986 N PRO A 64 -12.859 -7.154 -11.754 1.00 0.00 N ATOM 987 CA PRO A 64 -12.579 -5.878 -12.420 1.00 0.00 C ATOM 988 C PRO A 64 -12.354 -4.752 -11.417 1.00 0.00 C ATOM 989 O PRO A 64 -11.509 -3.882 -11.627 1.00 0.00 O ATOM 990 CB PRO A 64 -13.837 -5.614 -13.252 1.00 0.00 C ATOM 991 CG PRO A 64 -14.909 -6.390 -12.573 1.00 0.00 C ATOM 992 CD PRO A 64 -14.237 -7.612 -12.015 1.00 0.00 C ATOM 0 HA PRO A 64 -11.669 -5.921 -13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.076 -4.551 -13.282 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.705 -5.940 -14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.375 -5.804 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.698 -6.663 -13.274 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.725 -7.958 -11.104 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.258 -8.441 -12.723 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.118 -4.771 -10.325 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.988 -3.750 -9.289 1.00 0.00 C ATOM 1002 C ILE A 65 -11.605 -3.810 -8.645 1.00 0.00 C ATOM 1003 O ILE A 65 -10.955 -2.782 -8.448 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.067 -3.908 -8.195 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.465 -3.737 -8.795 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.840 -2.899 -7.077 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.585 -3.995 -7.809 1.00 0.00 C ATOM 0 H ILE A 65 -13.829 -5.478 -10.137 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.124 -2.783 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.992 -4.911 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.562 -2.724 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.574 -4.416 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.608 -3.023 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.858 -3.062 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.891 -1.889 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.546 -3.855 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.514 -5.017 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.503 -3.299 -6.974 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.161 -5.022 -8.323 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.854 -5.221 -7.704 1.00 0.00 C ATOM 1021 C PHE A 66 -8.737 -4.759 -8.635 1.00 0.00 C ATOM 1022 O PHE A 66 -7.809 -4.070 -8.211 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.659 -6.695 -7.344 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.396 -6.968 -6.578 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.328 -6.715 -5.217 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.279 -7.481 -7.217 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.170 -6.968 -4.508 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.116 -7.735 -6.513 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.062 -7.478 -5.157 1.00 0.00 C ATOM 0 H PHE A 66 -11.687 -5.881 -8.481 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.813 -4.623 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.511 -7.031 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.653 -7.286 -8.260 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.191 -6.315 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.317 -7.685 -8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.131 -6.767 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.251 -8.134 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.155 -7.675 -4.605 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.832 -5.146 -9.905 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.829 -4.772 -10.897 1.00 0.00 C ATOM 1041 C ASN A 67 -7.705 -3.256 -11.001 1.00 0.00 C ATOM 1042 O ASN A 67 -6.626 -2.728 -11.272 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.187 -5.361 -12.264 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.228 -6.877 -12.252 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.508 -7.525 -11.491 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.074 -7.452 -13.099 1.00 0.00 N ATOM 0 H ASN A 67 -9.593 -5.718 -10.271 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.869 -5.176 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.158 -4.977 -12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.458 -5.027 -13.002 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.146 -8.469 -13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.652 -6.877 -13.712 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.818 -2.560 -10.785 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.833 -1.104 -10.850 1.00 0.00 C ATOM 1055 C GLU A 68 -8.083 -0.505 -9.667 1.00 0.00 C ATOM 1056 O GLU A 68 -7.390 0.501 -9.804 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.274 -0.588 -10.867 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.379 0.928 -10.916 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.811 1.409 -11.052 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.356 1.338 -12.174 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.386 1.856 -10.038 1.00 0.00 O ATOM 0 H GLU A 68 -9.720 -2.982 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.335 -0.799 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.791 -1.007 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.791 -0.951 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.943 1.348 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.793 1.302 -11.755 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.226 -1.133 -8.505 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.566 -0.665 -7.291 1.00 0.00 C ATOM 1070 C TYR A 69 -6.052 -0.845 -7.384 1.00 0.00 C ATOM 1071 O TYR A 69 -5.286 -0.001 -6.916 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.108 -1.420 -6.076 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.623 -0.874 -4.753 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -6.441 -1.329 -4.182 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -8.349 0.095 -4.074 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -5.997 -0.834 -2.971 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -7.912 0.596 -2.862 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.736 0.129 -2.316 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.297 0.625 -1.110 1.00 0.00 O ATOM 0 H TYR A 69 -8.795 -1.970 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.776 0.399 -7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.197 -1.386 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.820 -2.468 -6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.860 -2.082 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.271 0.464 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.077 -1.199 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.489 1.349 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.931 1.296 -0.782 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.630 -1.949 -7.991 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.210 -2.249 -8.141 1.00 0.00 C ATOM 1091 C ILE A 70 -3.561 -1.366 -9.204 1.00 0.00 C ATOM 1092 O ILE A 70 -2.369 -1.069 -9.134 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.992 -3.732 -8.504 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.662 -4.636 -7.464 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.505 -4.045 -8.611 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.092 -4.491 -6.066 1.00 0.00 C ATOM 0 H ILE A 70 -6.253 -2.653 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.738 -2.043 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.449 -3.923 -9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.729 -4.413 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.562 -5.674 -7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.372 -5.096 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.057 -3.423 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.021 -3.841 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.618 -5.163 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.032 -4.743 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.216 -3.462 -5.727 1.00 0.00 H new ATOM 1108 N SER A 71 -4.345 -0.953 -10.190 1.00 0.00 N ATOM 1109 CA SER A 71 -3.833 -0.109 -11.261 1.00 0.00 C ATOM 1110 C SER A 71 -3.951 1.370 -10.907 1.00 0.00 C ATOM 1111 O SER A 71 -3.193 2.198 -11.409 1.00 0.00 O ATOM 1112 CB SER A 71 -4.586 -0.397 -12.560 1.00 0.00 C ATOM 1113 OG SER A 71 -4.412 -1.745 -12.962 1.00 0.00 O ATOM 0 H SER A 71 -5.334 -1.187 -10.271 1.00 0.00 H new ATOM 0 HA SER A 71 -2.776 -0.340 -11.396 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.647 -0.189 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.230 0.269 -13.346 1.00 0.00 H new ATOM 0 HG SER A 71 -5.072 -2.310 -12.508 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.918 1.705 -10.059 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.124 3.090 -9.654 1.00 0.00 C ATOM 1121 C LEU A 72 -4.329 3.445 -8.395 1.00 0.00 C ATOM 1122 O LEU A 72 -3.443 4.299 -8.430 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.620 3.356 -9.432 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.015 4.810 -9.130 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.904 5.102 -7.642 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.165 5.790 -9.930 1.00 0.00 C ATOM 0 H LEU A 72 -5.568 1.040 -9.641 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.758 3.727 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.161 3.032 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.960 2.731 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.054 4.940 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.188 6.137 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.567 4.436 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.876 4.942 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.468 6.810 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.114 5.655 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.304 5.607 -10.995 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.643 2.774 -7.288 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.986 3.043 -6.010 1.00 0.00 C ATOM 1140 C VAL A 73 -2.550 2.522 -5.952 1.00 0.00 C ATOM 1141 O VAL A 73 -1.610 3.301 -5.789 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.784 2.438 -4.838 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.102 2.735 -3.510 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.212 2.964 -4.838 1.00 0.00 C ATOM 0 H VAL A 73 -5.349 2.039 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.953 4.129 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.816 1.356 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.683 2.299 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.100 2.306 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.034 3.814 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.761 2.527 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.200 4.049 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.699 2.694 -5.775 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.382 1.208 -6.082 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.054 0.596 -6.017 1.00 0.00 C ATOM 1156 C GLU A 74 -0.087 1.254 -6.995 1.00 0.00 C ATOM 1157 O GLU A 74 1.056 1.553 -6.646 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.139 -0.906 -6.294 1.00 0.00 C ATOM 1159 CG GLU A 74 0.200 -1.620 -6.197 1.00 0.00 C ATOM 1160 CD GLU A 74 0.094 -3.104 -6.487 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.268 -3.865 -5.564 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.374 -3.507 -7.635 1.00 0.00 O ATOM 0 H GLU A 74 -3.145 0.548 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.672 0.750 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.835 -1.358 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.552 -1.060 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.901 -1.166 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.611 -1.478 -5.198 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.548 1.480 -8.219 1.00 0.00 N ATOM 1170 CA LYS A 75 0.282 2.102 -9.241 1.00 0.00 C ATOM 1171 C LYS A 75 0.634 3.534 -8.851 1.00 0.00 C ATOM 1172 O LYS A 75 1.744 4.002 -9.105 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.438 2.093 -10.588 1.00 0.00 C ATOM 1174 CG LYS A 75 0.474 2.384 -11.769 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.320 2.719 -13.023 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.017 4.066 -12.900 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.044 5.185 -12.760 1.00 0.00 N ATOM 0 H LYS A 75 -1.491 1.242 -8.527 1.00 0.00 H new ATOM 0 HA LYS A 75 1.204 1.527 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.907 1.120 -10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.239 2.832 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.134 3.216 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.109 1.519 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.347 2.731 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.061 1.940 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.639 4.234 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.682 4.053 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.520 6.087 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.327 5.203 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.742 5.048 -13.428 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.322 4.226 -8.233 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.115 5.606 -7.806 1.00 0.00 C ATOM 1193 C TYR A 76 1.079 5.715 -6.861 1.00 0.00 C ATOM 1194 O TYR A 76 1.938 6.581 -7.032 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.373 6.143 -7.120 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.274 7.599 -6.724 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.345 8.605 -7.679 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.111 7.966 -5.395 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.255 9.937 -7.321 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.021 9.295 -5.028 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.093 10.276 -5.994 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.004 11.601 -5.633 1.00 0.00 O ATOM 0 H TYR A 76 -1.246 3.853 -8.018 1.00 0.00 H new ATOM 0 HA TYR A 76 0.093 6.205 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.224 6.014 -7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.574 5.546 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.473 8.342 -8.719 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.054 7.200 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.311 10.707 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.895 9.564 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.612 12.133 -6.188 1.00 0.00 H new ATOM 1212 N ILE A 77 1.127 4.835 -5.866 1.00 0.00 N ATOM 1213 CA ILE A 77 2.218 4.836 -4.896 1.00 0.00 C ATOM 1214 C ILE A 77 3.556 4.564 -5.575 1.00 0.00 C ATOM 1215 O ILE A 77 4.569 5.178 -5.241 1.00 0.00 O ATOM 1216 CB ILE A 77 1.996 3.783 -3.792 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.644 4.004 -3.108 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.126 3.836 -2.773 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.282 2.921 -2.114 1.00 0.00 C ATOM 0 H ILE A 77 0.424 4.112 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 77 2.234 5.827 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 77 1.992 2.794 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.659 4.966 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.134 4.061 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.955 3.087 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.074 3.634 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.159 4.826 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.688 3.145 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.234 1.959 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.039 2.878 -1.331 1.00 0.00 H new ATOM 1231 N GLU A 78 3.551 3.637 -6.528 1.00 0.00 N ATOM 1232 CA GLU A 78 4.764 3.276 -7.255 1.00 0.00 C ATOM 1233 C GLU A 78 5.336 4.475 -8.007 1.00 0.00 C ATOM 1234 O GLU A 78 6.535 4.747 -7.937 1.00 0.00 O ATOM 1235 CB GLU A 78 4.475 2.135 -8.232 1.00 0.00 C ATOM 1236 CG GLU A 78 5.684 1.714 -9.053 1.00 0.00 C ATOM 1237 CD GLU A 78 5.373 0.583 -10.012 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.802 0.857 -11.089 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.702 -0.578 -9.687 1.00 0.00 O ATOM 0 H GLU A 78 2.719 3.121 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 78 5.506 2.946 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.108 1.274 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.676 2.440 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.052 2.572 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.485 1.406 -8.381 1.00 0.00 H new ATOM 1246 N GLU A 79 4.473 5.187 -8.725 1.00 0.00 N ATOM 1247 CA GLU A 79 4.896 6.354 -9.496 1.00 0.00 C ATOM 1248 C GLU A 79 5.470 7.439 -8.590 1.00 0.00 C ATOM 1249 O GLU A 79 6.493 8.046 -8.909 1.00 0.00 O ATOM 1250 CB GLU A 79 3.720 6.915 -10.298 1.00 0.00 C ATOM 1251 CG GLU A 79 3.244 5.991 -11.406 1.00 0.00 C ATOM 1252 CD GLU A 79 4.327 5.701 -12.428 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.514 6.528 -13.345 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.989 4.648 -12.309 1.00 0.00 O ATOM 0 H GLU A 79 3.477 4.978 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 79 5.680 6.033 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.890 7.113 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.011 7.871 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.901 5.053 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.388 6.442 -11.907 1.00 0.00 H new ATOM 1261 N GLN A 80 4.808 7.677 -7.462 1.00 0.00 N ATOM 1262 CA GLN A 80 5.252 8.693 -6.513 1.00 0.00 C ATOM 1263 C GLN A 80 6.670 8.410 -6.027 1.00 0.00 C ATOM 1264 O GLN A 80 7.461 9.331 -5.821 1.00 0.00 O ATOM 1265 CB GLN A 80 4.295 8.758 -5.322 1.00 0.00 C ATOM 1266 CG GLN A 80 2.915 9.284 -5.681 1.00 0.00 C ATOM 1267 CD GLN A 80 2.940 10.734 -6.126 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.788 11.515 -5.692 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.009 11.102 -6.999 1.00 0.00 N ATOM 0 H GLN A 80 3.962 7.180 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 80 5.253 9.655 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.195 7.761 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.729 9.395 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.493 8.671 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.257 9.184 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.326 10.422 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.978 12.064 -7.336 1.00 0.00 H new ATOM 1278 N LEU A 81 6.984 7.132 -5.846 1.00 0.00 N ATOM 1279 CA LEU A 81 8.307 6.728 -5.381 1.00 0.00 C ATOM 1280 C LEU A 81 9.330 6.794 -6.511 1.00 0.00 C ATOM 1281 O LEU A 81 10.498 7.111 -6.284 1.00 0.00 O ATOM 1282 CB LEU A 81 8.255 5.312 -4.801 1.00 0.00 C ATOM 1283 CG LEU A 81 7.365 5.150 -3.566 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.252 3.684 -3.178 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.909 5.967 -2.403 1.00 0.00 C ATOM 0 H LEU A 81 6.341 6.358 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 81 8.617 7.422 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.903 4.631 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.268 5.004 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 81 6.369 5.520 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.616 3.588 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.816 3.122 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.243 3.290 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.263 5.839 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.916 5.628 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.939 7.021 -2.681 1.00 0.00 H new ATOM 1297 N LEU A 82 8.885 6.496 -7.728 1.00 0.00 N ATOM 1298 CA LEU A 82 9.765 6.522 -8.892 1.00 0.00 C ATOM 1299 C LEU A 82 10.220 7.945 -9.205 1.00 0.00 C ATOM 1300 O LEU A 82 11.259 8.148 -9.835 1.00 0.00 O ATOM 1301 CB LEU A 82 9.060 5.917 -10.110 1.00 0.00 C ATOM 1302 CG LEU A 82 8.847 4.402 -10.050 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.003 3.934 -11.226 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.184 3.675 -10.031 1.00 0.00 C ATOM 0 H LEU A 82 7.921 6.234 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 82 10.646 5.924 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.090 6.400 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.642 6.152 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 82 8.314 4.167 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.862 2.855 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.032 4.429 -11.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.509 4.183 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.013 2.599 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.743 3.918 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.755 3.986 -9.156 1.00 0.00 H new ATOM 1316 N GLN A 83 9.437 8.925 -8.763 1.00 0.00 N ATOM 1317 CA GLN A 83 9.761 10.331 -8.995 1.00 0.00 C ATOM 1318 C GLN A 83 11.146 10.678 -8.456 1.00 0.00 C ATOM 1319 O GLN A 83 11.791 11.611 -8.936 1.00 0.00 O ATOM 1320 CB GLN A 83 8.714 11.233 -8.339 1.00 0.00 C ATOM 1321 CG GLN A 83 7.351 11.171 -9.008 1.00 0.00 C ATOM 1322 CD GLN A 83 6.304 11.992 -8.279 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.434 12.083 -6.960 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 5.385 12.532 -8.894 1.00 0.00 N flip ATOM 0 H GLN A 83 8.573 8.772 -8.242 1.00 0.00 H new ATOM 0 HA GLN A 83 9.759 10.497 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.608 10.950 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.071 12.263 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.438 11.528 -10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.022 10.133 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.324 12.436 -9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.684 13.076 -8.390 1.00 0.00 H new ATOM 1333 N ARG A 84 11.599 9.924 -7.459 1.00 0.00 N ATOM 1334 CA ARG A 84 12.907 10.162 -6.857 1.00 0.00 C ATOM 1335 C ARG A 84 13.801 8.932 -6.974 1.00 0.00 C ATOM 1336 O ARG A 84 15.027 9.042 -6.960 1.00 0.00 O ATOM 1337 CB ARG A 84 12.748 10.553 -5.387 1.00 0.00 C ATOM 1338 CG ARG A 84 11.960 11.836 -5.178 1.00 0.00 C ATOM 1339 CD ARG A 84 11.851 12.188 -3.703 1.00 0.00 C ATOM 1340 NE ARG A 84 11.124 13.437 -3.490 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.003 14.027 -2.304 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.558 13.485 -1.229 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.328 15.162 -2.191 1.00 0.00 N ATOM 0 H ARG A 84 11.082 9.145 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 84 13.382 10.981 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.251 9.741 -4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.736 10.667 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.444 12.653 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.962 11.724 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.346 11.380 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.850 12.273 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 84 10.684 13.882 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.080 12.612 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.463 13.941 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.900 15.585 -3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.237 15.613 -1.280 1.00 0.00 H new ATOM 1357 N ILE A 85 13.182 7.763 -7.091 1.00 0.00 N ATOM 1358 CA ILE A 85 13.923 6.513 -7.206 1.00 0.00 C ATOM 1359 C ILE A 85 13.480 5.726 -8.440 1.00 0.00 C ATOM 1360 O ILE A 85 12.625 4.845 -8.346 1.00 0.00 O ATOM 1361 CB ILE A 85 13.736 5.634 -5.952 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.918 6.471 -4.682 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.715 4.468 -5.972 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.578 5.727 -3.406 1.00 0.00 C ATOM 0 H ILE A 85 12.168 7.655 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 85 14.977 6.773 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 85 12.723 5.232 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.952 6.813 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.292 7.360 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.571 3.857 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.540 3.861 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.736 4.850 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.731 6.384 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.536 5.409 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.222 4.853 -3.312 1.00 0.00 H new ATOM 1376 N PRO A 86 14.050 6.040 -9.620 1.00 0.00 N ATOM 1377 CA PRO A 86 13.702 5.359 -10.874 1.00 0.00 C ATOM 1378 C PRO A 86 14.105 3.887 -10.875 1.00 0.00 C ATOM 1379 O PRO A 86 13.830 3.160 -11.830 1.00 0.00 O ATOM 1380 CB PRO A 86 14.492 6.126 -11.945 1.00 0.00 C ATOM 1381 CG PRO A 86 14.912 7.400 -11.292 1.00 0.00 C ATOM 1382 CD PRO A 86 15.064 7.085 -9.834 1.00 0.00 C ATOM 0 HA PRO A 86 12.625 5.361 -11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.356 5.553 -12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.877 6.319 -12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.849 7.764 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.168 8.182 -11.447 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.067 6.729 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.882 7.960 -9.210 1.00 0.00 H new ATOM 1390 N GLU A 87 14.756 3.455 -9.802 1.00 0.00 N ATOM 1391 CA GLU A 87 15.194 2.068 -9.679 1.00 0.00 C ATOM 1392 C GLU A 87 14.431 1.352 -8.569 1.00 0.00 C ATOM 1393 O GLU A 87 14.847 0.292 -8.101 1.00 0.00 O ATOM 1394 CB GLU A 87 16.697 2.009 -9.398 1.00 0.00 C ATOM 1395 CG GLU A 87 17.548 2.620 -10.500 1.00 0.00 C ATOM 1396 CD GLU A 87 19.032 2.555 -10.194 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.551 3.504 -9.570 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.675 1.556 -10.580 1.00 0.00 O ATOM 0 H GLU A 87 14.993 4.044 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 87 14.986 1.563 -10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.903 2.527 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.991 0.969 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.351 2.100 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.256 3.660 -10.645 1.00 0.00 H new ATOM 1405 N PHE A 88 13.310 1.935 -8.157 1.00 0.00 N ATOM 1406 CA PHE A 88 12.495 1.356 -7.097 1.00 0.00 C ATOM 1407 C PHE A 88 11.541 0.299 -7.647 1.00 0.00 C ATOM 1408 O PHE A 88 11.074 0.398 -8.782 1.00 0.00 O ATOM 1409 CB PHE A 88 11.700 2.448 -6.382 1.00 0.00 C ATOM 1410 CG PHE A 88 11.126 2.003 -5.069 1.00 0.00 C ATOM 1411 CD1 PHE A 88 9.876 1.407 -5.008 1.00 0.00 C ATOM 1412 CD2 PHE A 88 11.839 2.178 -3.894 1.00 0.00 C ATOM 1413 CE1 PHE A 88 9.349 0.993 -3.800 1.00 0.00 C ATOM 1414 CE2 PHE A 88 11.316 1.767 -2.683 1.00 0.00 C ATOM 1415 CZ PHE A 88 10.070 1.175 -2.636 1.00 0.00 C ATOM 0 H PHE A 88 12.946 2.807 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 88 13.167 0.875 -6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.348 3.308 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.890 2.781 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.308 1.265 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.814 2.641 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.375 0.528 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.882 1.909 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.659 0.854 -1.690 1.00 0.00 H new ATOM 1425 N ASN A 89 11.256 -0.711 -6.829 1.00 0.00 N ATOM 1426 CA ASN A 89 10.354 -1.788 -7.222 1.00 0.00 C ATOM 1427 C ASN A 89 9.394 -2.130 -6.086 1.00 0.00 C ATOM 1428 O ASN A 89 9.802 -2.669 -5.058 1.00 0.00 O ATOM 1429 CB ASN A 89 11.154 -3.030 -7.622 1.00 0.00 C ATOM 1430 CG ASN A 89 10.272 -4.149 -8.143 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.578 -5.328 -7.966 1.00 0.00 O ATOM 1432 ND2 ASN A 89 9.172 -3.785 -8.794 1.00 0.00 N ATOM 0 H ASN A 89 11.638 -0.805 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 89 9.771 -1.450 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.881 -2.759 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.718 -3.388 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.543 -4.495 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.957 -2.796 -8.918 1.00 0.00 H new ATOM 1439 N MET A 90 8.117 -1.811 -6.278 1.00 0.00 N ATOM 1440 CA MET A 90 7.097 -2.078 -5.267 1.00 0.00 C ATOM 1441 C MET A 90 6.923 -3.577 -5.036 1.00 0.00 C ATOM 1442 O MET A 90 6.520 -4.003 -3.955 1.00 0.00 O ATOM 1443 CB MET A 90 5.762 -1.459 -5.682 1.00 0.00 C ATOM 1444 CG MET A 90 5.730 0.056 -5.561 1.00 0.00 C ATOM 1445 SD MET A 90 5.838 0.619 -3.851 1.00 0.00 S ATOM 1446 CE MET A 90 4.341 -0.085 -3.165 1.00 0.00 C ATOM 0 H MET A 90 7.763 -1.367 -7.125 1.00 0.00 H new ATOM 0 HA MET A 90 7.429 -1.625 -4.333 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.547 -1.737 -6.714 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.968 -1.881 -5.066 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.556 0.480 -6.132 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.809 0.433 -6.006 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.047 0.478 -2.280 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.544 -0.038 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.520 -1.125 -2.891 1.00 0.00 H new ATOM 1456 N ALA A 91 7.229 -4.370 -6.057 1.00 0.00 N ATOM 1457 CA ALA A 91 7.102 -5.820 -5.960 1.00 0.00 C ATOM 1458 C ALA A 91 8.095 -6.395 -4.955 1.00 0.00 C ATOM 1459 O ALA A 91 7.706 -7.051 -3.988 1.00 0.00 O ATOM 1460 CB ALA A 91 7.300 -6.459 -7.327 1.00 0.00 C ATOM 0 H ALA A 91 7.566 -4.035 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 91 6.097 -6.048 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.203 -7.541 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.546 -6.081 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.293 -6.213 -7.703 1.00 0.00 H new ATOM 1466 N ALA A 92 9.379 -6.141 -5.190 1.00 0.00 N ATOM 1467 CA ALA A 92 10.433 -6.634 -4.310 1.00 0.00 C ATOM 1468 C ALA A 92 10.381 -5.955 -2.944 1.00 0.00 C ATOM 1469 O ALA A 92 10.712 -6.564 -1.927 1.00 0.00 O ATOM 1470 CB ALA A 92 11.795 -6.421 -4.954 1.00 0.00 C ATOM 0 H ALA A 92 9.715 -5.596 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 92 10.273 -7.701 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.574 -6.793 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.838 -6.960 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.949 -5.357 -5.135 1.00 0.00 H new ATOM 1476 N PHE A 93 9.962 -4.693 -2.928 1.00 0.00 N ATOM 1477 CA PHE A 93 9.873 -3.932 -1.685 1.00 0.00 C ATOM 1478 C PHE A 93 8.841 -4.539 -0.739 1.00 0.00 C ATOM 1479 O PHE A 93 9.132 -4.789 0.431 1.00 0.00 O ATOM 1480 CB PHE A 93 9.519 -2.471 -1.978 1.00 0.00 C ATOM 1481 CG PHE A 93 9.387 -1.625 -0.743 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.487 -1.372 0.061 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.162 -1.086 -0.385 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.368 -0.596 1.198 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.036 -0.309 0.751 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.141 -0.065 1.544 1.00 0.00 C ATOM 0 H PHE A 93 9.679 -4.176 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 93 10.848 -3.972 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.287 -2.042 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.582 -2.437 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.448 -1.786 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.295 -1.275 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.233 -0.405 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.076 0.107 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.045 0.540 2.433 1.00 0.00 H new ATOM 1496 N THR A 94 7.635 -4.773 -1.249 1.00 0.00 N ATOM 1497 CA THR A 94 6.563 -5.348 -0.444 1.00 0.00 C ATOM 1498 C THR A 94 6.930 -6.745 0.049 1.00 0.00 C ATOM 1499 O THR A 94 6.605 -7.118 1.176 1.00 0.00 O ATOM 1500 CB THR A 94 5.241 -5.423 -1.232 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.446 -6.109 -2.473 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.691 -4.029 -1.501 1.00 0.00 C ATOM 0 H THR A 94 7.376 -4.573 -2.215 1.00 0.00 H new ATOM 0 HA THR A 94 6.427 -4.688 0.413 1.00 0.00 H new ATOM 0 HB THR A 94 4.517 -5.972 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.831 -5.491 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.758 -4.107 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.507 -3.522 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.415 -3.459 -2.083 1.00 0.00 H new ATOM 1510 N THR A 95 7.608 -7.512 -0.801 1.00 0.00 N ATOM 1511 CA THR A 95 8.019 -8.868 -0.448 1.00 0.00 C ATOM 1512 C THR A 95 8.884 -8.870 0.809 1.00 0.00 C ATOM 1513 O THR A 95 8.645 -9.640 1.739 1.00 0.00 O ATOM 1514 CB THR A 95 8.800 -9.534 -1.597 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.004 -9.545 -2.789 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.194 -10.959 -1.234 1.00 0.00 C ATOM 0 H THR A 95 7.884 -7.218 -1.738 1.00 0.00 H new ATOM 0 HA THR A 95 7.108 -9.437 -0.260 1.00 0.00 H new ATOM 0 HB THR A 95 9.708 -8.956 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.957 -8.639 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.744 -11.407 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.824 -10.947 -0.344 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.297 -11.545 -1.036 1.00 0.00 H new ATOM 1524 N THR A 96 9.890 -8.001 0.827 1.00 0.00 N ATOM 1525 CA THR A 96 10.793 -7.896 1.967 1.00 0.00 C ATOM 1526 C THR A 96 10.103 -7.218 3.148 1.00 0.00 C ATOM 1527 O THR A 96 10.423 -7.486 4.306 1.00 0.00 O ATOM 1528 CB THR A 96 12.067 -7.107 1.600 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.740 -7.744 0.507 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.012 -7.005 2.789 1.00 0.00 C ATOM 0 H THR A 96 10.100 -7.358 0.063 1.00 0.00 H new ATOM 0 HA THR A 96 11.075 -8.910 2.250 1.00 0.00 H new ATOM 0 HB THR A 96 11.767 -6.100 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.547 -7.236 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.901 -6.444 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.510 -6.493 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.303 -8.005 3.109 1.00 0.00 H new ATOM 1538 N LEU A 97 9.152 -6.342 2.843 1.00 0.00 N ATOM 1539 CA LEU A 97 8.415 -5.616 3.871 1.00 0.00 C ATOM 1540 C LEU A 97 7.640 -6.572 4.776 1.00 0.00 C ATOM 1541 O LEU A 97 7.533 -6.346 5.981 1.00 0.00 O ATOM 1542 CB LEU A 97 7.455 -4.612 3.227 1.00 0.00 C ATOM 1543 CG LEU A 97 7.305 -3.281 3.969 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.433 -2.322 3.173 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.723 -3.500 5.358 1.00 0.00 C ATOM 0 H LEU A 97 8.873 -6.117 1.888 1.00 0.00 H new ATOM 0 HA LEU A 97 9.138 -5.078 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.797 -4.407 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.472 -5.076 3.145 1.00 0.00 H new ATOM 0 HG LEU A 97 8.295 -2.839 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.337 -1.381 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.890 -2.136 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.445 -2.761 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.625 -2.541 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.742 -3.967 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.385 -4.149 5.931 1.00 0.00 H new ATOM 1557 N GLN A 98 7.102 -7.639 4.189 1.00 0.00 N ATOM 1558 CA GLN A 98 6.329 -8.620 4.947 1.00 0.00 C ATOM 1559 C GLN A 98 7.097 -9.091 6.177 1.00 0.00 C ATOM 1560 O GLN A 98 6.524 -9.241 7.256 1.00 0.00 O ATOM 1561 CB GLN A 98 5.974 -9.821 4.068 1.00 0.00 C ATOM 1562 CG GLN A 98 5.122 -9.466 2.861 1.00 0.00 C ATOM 1563 CD GLN A 98 4.702 -10.687 2.068 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.530 -11.082 1.107 1.00 0.00 O flip ATOM 1565 NE2 GLN A 98 3.649 -11.272 2.318 1.00 0.00 N flip ATOM 0 H GLN A 98 7.187 -7.846 3.194 1.00 0.00 H new ATOM 0 HA GLN A 98 5.410 -8.135 5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.895 -10.293 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.444 -10.557 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.233 -8.929 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.680 -8.790 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.043 -10.934 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.382 -12.095 1.778 1.00 0.00 H new ATOM 1574 N HIS A 99 8.393 -9.321 6.009 1.00 0.00 N ATOM 1575 CA HIS A 99 9.236 -9.765 7.110 1.00 0.00 C ATOM 1576 C HIS A 99 9.589 -8.588 8.015 1.00 0.00 C ATOM 1577 O HIS A 99 9.578 -8.704 9.242 1.00 0.00 O ATOM 1578 CB HIS A 99 10.510 -10.418 6.572 1.00 0.00 C ATOM 1579 CG HIS A 99 10.247 -11.578 5.663 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.337 -12.892 6.073 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.894 -11.618 4.356 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.052 -13.688 5.059 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.780 -12.941 4.006 1.00 0.00 N ATOM 0 H HIS A 99 8.882 -9.207 5.121 1.00 0.00 H new ATOM 0 HA HIS A 99 8.685 -10.502 7.694 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.093 -9.670 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.119 -10.755 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.732 -10.768 3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.043 -14.768 5.087 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.526 -13.290 3.082 1.00 0.00 H new ATOM 1592 N HIS A 100 9.884 -7.448 7.397 1.00 0.00 N ATOM 1593 CA HIS A 100 10.241 -6.246 8.141 1.00 0.00 C ATOM 1594 C HIS A 100 9.036 -5.692 8.890 1.00 0.00 C ATOM 1595 O HIS A 100 9.147 -4.707 9.620 1.00 0.00 O ATOM 1596 CB HIS A 100 10.804 -5.181 7.199 1.00 0.00 C ATOM 1597 CG HIS A 100 12.232 -5.419 6.814 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.222 -4.471 6.974 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.836 -6.504 6.274 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.372 -4.963 6.549 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.165 -6.194 6.120 1.00 0.00 N ATOM 0 H HIS A 100 9.883 -7.332 6.384 1.00 0.00 H new ATOM 0 HA HIS A 100 11.007 -6.516 8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.194 -5.146 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.723 -4.205 7.677 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.087 -3.537 7.360 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.361 -7.438 6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.320 -4.446 6.552 1.00 0.00 H new ATOM 1610 N LYS A 101 7.886 -6.331 8.705 1.00 0.00 N ATOM 1611 CA LYS A 101 6.663 -5.906 9.370 1.00 0.00 C ATOM 1612 C LYS A 101 6.803 -6.043 10.882 1.00 0.00 C ATOM 1613 O LYS A 101 6.032 -5.457 11.643 1.00 0.00 O ATOM 1614 CB LYS A 101 5.473 -6.730 8.873 1.00 0.00 C ATOM 1615 CG LYS A 101 4.132 -6.253 9.411 1.00 0.00 C ATOM 1616 CD LYS A 101 2.977 -7.056 8.832 1.00 0.00 C ATOM 1617 CE LYS A 101 2.995 -8.497 9.319 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.874 -9.293 8.746 1.00 0.00 N ATOM 0 H LYS A 101 7.777 -7.145 8.100 1.00 0.00 H new ATOM 0 HA LYS A 101 6.487 -4.857 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.450 -6.698 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.619 -7.772 9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.125 -6.337 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.998 -5.198 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.033 -6.589 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.031 -7.039 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.944 -8.960 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.932 -8.513 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.923 -10.269 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.967 -8.867 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.948 -9.300 7.709 1.00 0.00 H new ATOM 1632 N ASP A 102 7.795 -6.819 11.311 1.00 0.00 N ATOM 1633 CA ASP A 102 8.037 -7.029 12.735 1.00 0.00 C ATOM 1634 C ASP A 102 8.744 -5.822 13.345 1.00 0.00 C ATOM 1635 O ASP A 102 8.675 -5.594 14.553 1.00 0.00 O ATOM 1636 CB ASP A 102 8.875 -8.290 12.952 1.00 0.00 C ATOM 1637 CG ASP A 102 8.993 -8.661 14.418 1.00 0.00 C ATOM 1638 OD1 ASP A 102 9.869 -8.096 15.106 1.00 0.00 O ATOM 1639 OD2 ASP A 102 8.208 -9.517 14.878 1.00 0.00 O ATOM 0 H ASP A 102 8.442 -7.311 10.695 1.00 0.00 H new ATOM 0 HA ASP A 102 7.074 -7.155 13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.427 -9.119 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.871 -8.137 12.538 1.00 0.00 H new ATOM 1644 N GLU A 103 9.421 -5.052 12.498 1.00 0.00 N ATOM 1645 CA GLU A 103 10.144 -3.866 12.948 1.00 0.00 C ATOM 1646 C GLU A 103 9.359 -2.593 12.641 1.00 0.00 C ATOM 1647 O GLU A 103 9.023 -1.827 13.545 1.00 0.00 O ATOM 1648 CB GLU A 103 11.520 -3.802 12.280 1.00 0.00 C ATOM 1649 CG GLU A 103 12.429 -4.968 12.636 1.00 0.00 C ATOM 1650 CD GLU A 103 12.779 -5.005 14.110 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.007 -5.601 14.889 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.827 -4.437 14.485 1.00 0.00 O ATOM 0 H GLU A 103 9.484 -5.228 11.495 1.00 0.00 H new ATOM 0 HA GLU A 103 10.270 -3.938 14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.388 -3.773 11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.010 -2.871 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.941 -5.902 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.346 -4.901 12.050 1.00 0.00 H new ATOM 1659 N VAL A 104 9.069 -2.376 11.360 1.00 0.00 N ATOM 1660 CA VAL A 104 8.329 -1.193 10.927 1.00 0.00 C ATOM 1661 C VAL A 104 6.948 -1.133 11.577 1.00 0.00 C ATOM 1662 O VAL A 104 6.447 -2.137 12.085 1.00 0.00 O ATOM 1663 CB VAL A 104 8.169 -1.162 9.392 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.105 -2.150 8.934 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.840 0.244 8.913 1.00 0.00 C ATOM 0 H VAL A 104 9.336 -3.005 10.603 1.00 0.00 H new ATOM 0 HA VAL A 104 8.909 -0.325 11.242 1.00 0.00 H new ATOM 0 HB VAL A 104 9.119 -1.461 8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.012 -2.108 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.391 -3.158 9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.149 -1.893 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.732 0.243 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.908 0.575 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.645 0.923 9.196 1.00 0.00 H new ATOM 1675 N ALA A 105 6.340 0.050 11.555 1.00 0.00 N ATOM 1676 CA ALA A 105 5.017 0.246 12.136 1.00 0.00 C ATOM 1677 C ALA A 105 3.981 -0.640 11.452 1.00 0.00 C ATOM 1678 O ALA A 105 3.626 -0.417 10.295 1.00 0.00 O ATOM 1679 CB ALA A 105 4.609 1.708 12.034 1.00 0.00 C ATOM 0 H ALA A 105 6.745 0.889 11.140 1.00 0.00 H new ATOM 0 HA ALA A 105 5.063 -0.037 13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.619 1.841 12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.329 2.325 12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.586 2.007 10.986 1.00 0.00 H new ATOM 1685 N GLY A 106 3.503 -1.647 12.175 1.00 0.00 N ATOM 1686 CA GLY A 106 2.511 -2.552 11.625 1.00 0.00 C ATOM 1687 C GLY A 106 1.187 -1.866 11.352 1.00 0.00 C ATOM 1688 O GLY A 106 0.463 -2.244 10.431 1.00 0.00 O ATOM 0 H GLY A 106 3.785 -1.853 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.891 -2.983 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.353 -3.377 12.319 1.00 0.00 H new ATOM 1692 N ASP A 107 0.870 -0.855 12.156 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.377 -0.115 12.002 1.00 0.00 C ATOM 1694 C ASP A 107 -0.414 0.636 10.674 1.00 0.00 C ATOM 1695 O ASP A 107 -1.446 0.676 10.004 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.557 0.869 13.161 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.816 1.702 13.024 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.889 1.233 13.461 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.731 2.824 12.481 1.00 0.00 O ATOM 0 H ASP A 107 1.461 -0.530 12.921 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.195 -0.835 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.591 0.317 14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.309 1.530 13.210 1.00 0.00 H new ATOM 1704 N ILE A 108 0.715 1.229 10.297 1.00 0.00 N ATOM 1705 CA ILE A 108 0.799 1.981 9.051 1.00 0.00 C ATOM 1706 C ILE A 108 0.708 1.058 7.838 1.00 0.00 C ATOM 1707 O ILE A 108 -0.091 1.290 6.930 1.00 0.00 O ATOM 1708 CB ILE A 108 2.110 2.790 8.972 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.236 3.719 10.183 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.165 3.588 7.675 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.542 4.486 10.231 1.00 0.00 C ATOM 0 H ILE A 108 1.581 1.203 10.835 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.047 2.669 9.040 1.00 0.00 H new ATOM 0 HB ILE A 108 2.949 2.095 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.409 4.429 10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.138 3.129 11.094 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.096 4.153 7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.117 2.906 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.321 4.276 7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.558 5.122 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.375 3.784 10.274 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.634 5.104 9.338 1.00 0.00 H new ATOM 1723 N PHE A 109 1.517 0.002 7.834 1.00 0.00 N ATOM 1724 CA PHE A 109 1.521 -0.949 6.728 1.00 0.00 C ATOM 1725 C PHE A 109 0.188 -1.684 6.632 1.00 0.00 C ATOM 1726 O PHE A 109 -0.223 -2.097 5.548 1.00 0.00 O ATOM 1727 CB PHE A 109 2.669 -1.952 6.874 1.00 0.00 C ATOM 1728 CG PHE A 109 2.820 -2.873 5.691 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.674 -2.395 4.396 1.00 0.00 C ATOM 1730 CD2 PHE A 109 3.103 -4.217 5.875 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.808 -3.238 3.309 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.239 -5.065 4.791 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.090 -4.575 3.507 1.00 0.00 C ATOM 0 H PHE A 109 2.176 -0.216 8.582 1.00 0.00 H new ATOM 0 HA PHE A 109 1.669 -0.384 5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.601 -1.406 7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.506 -2.550 7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.453 -1.350 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.219 -4.606 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.692 -2.852 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.462 -6.110 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.194 -5.237 2.660 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.483 -1.841 7.772 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.768 -2.535 7.821 1.00 0.00 C ATOM 1745 C ASP A 110 -2.713 -2.019 6.741 1.00 0.00 C ATOM 1746 O ASP A 110 -3.548 -2.764 6.226 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.411 -2.363 9.199 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.759 -3.051 9.300 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.789 -4.248 9.653 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.784 -2.391 9.027 1.00 0.00 O ATOM 0 H ASP A 110 -0.157 -1.496 8.675 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.584 -3.594 7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.743 -2.765 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.532 -1.300 9.410 1.00 0.00 H new ATOM 1755 N MET A 111 -2.576 -0.743 6.402 1.00 0.00 N ATOM 1756 CA MET A 111 -3.408 -0.137 5.370 1.00 0.00 C ATOM 1757 C MET A 111 -2.991 -0.643 3.993 1.00 0.00 C ATOM 1758 O MET A 111 -3.821 -1.081 3.194 1.00 0.00 O ATOM 1759 CB MET A 111 -3.287 1.388 5.425 1.00 0.00 C ATOM 1760 CG MET A 111 -4.074 2.104 4.340 1.00 0.00 C ATOM 1761 SD MET A 111 -3.679 3.861 4.244 1.00 0.00 S ATOM 1762 CE MET A 111 -1.954 3.794 3.763 1.00 0.00 C ATOM 0 H MET A 111 -1.898 -0.109 6.825 1.00 0.00 H new ATOM 0 HA MET A 111 -4.446 -0.417 5.549 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.630 1.736 6.399 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.236 1.663 5.340 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.868 1.636 3.378 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.141 1.985 4.531 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.721 4.646 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.326 3.826 4.654 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.764 2.869 3.218 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.689 -0.590 3.737 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.128 -1.030 2.466 1.00 0.00 C ATOM 1774 C LEU A 112 -1.321 -2.530 2.264 1.00 0.00 C ATOM 1775 O LEU A 112 -1.301 -3.017 1.136 1.00 0.00 O ATOM 1776 CB LEU A 112 0.356 -0.667 2.392 1.00 0.00 C ATOM 1777 CG LEU A 112 0.652 0.834 2.413 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.149 1.085 2.481 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.055 1.513 1.190 1.00 0.00 C ATOM 0 H LEU A 112 -0.996 -0.243 4.401 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.659 -0.516 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.872 -1.136 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.775 -1.093 1.480 1.00 0.00 H new ATOM 0 HG LEU A 112 0.192 1.260 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.338 2.158 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.553 0.634 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.632 0.643 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.276 2.580 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.486 1.080 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.025 1.366 1.183 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.512 -3.257 3.363 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.701 -4.705 3.305 1.00 0.00 C ATOM 1793 C LEU A 113 -2.761 -5.085 2.277 1.00 0.00 C ATOM 1794 O LEU A 113 -2.736 -6.187 1.732 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.096 -5.258 4.678 1.00 0.00 C ATOM 1796 CG LEU A 113 -0.937 -5.489 5.652 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.456 -6.047 6.969 1.00 0.00 C ATOM 1798 CD2 LEU A 113 0.093 -6.433 5.048 1.00 0.00 C ATOM 0 H LEU A 113 -1.540 -2.867 4.305 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.750 -5.144 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.803 -4.568 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.620 -6.203 4.533 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.454 -4.531 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.621 -6.206 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.157 -5.340 7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.962 -6.995 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.908 -6.584 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.377 -7.391 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.487 -6.001 4.128 1.00 0.00 H new ATOM 1810 N THR A 114 -3.695 -4.172 2.025 1.00 0.00 N ATOM 1811 CA THR A 114 -4.767 -4.414 1.062 1.00 0.00 C ATOM 1812 C THR A 114 -4.229 -4.828 -0.311 1.00 0.00 C ATOM 1813 O THR A 114 -5.002 -5.175 -1.204 1.00 0.00 O ATOM 1814 CB THR A 114 -5.654 -3.169 0.892 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.864 -2.061 0.442 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.339 -2.810 2.202 1.00 0.00 C ATOM 0 H THR A 114 -3.732 -3.257 2.474 1.00 0.00 H new ATOM 0 HA THR A 114 -5.359 -5.235 1.467 1.00 0.00 H new ATOM 0 HB THR A 114 -6.419 -3.394 0.149 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.436 -1.631 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.961 -1.927 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.962 -3.643 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.585 -2.603 2.962 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.908 -4.793 -0.478 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.288 -5.172 -1.744 1.00 0.00 C ATOM 1826 C PHE A 115 -2.524 -6.648 -2.053 1.00 0.00 C ATOM 1827 O PHE A 115 -2.675 -7.030 -3.213 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.780 -4.895 -1.712 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.414 -3.438 -1.808 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.084 -2.593 -2.681 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.606 -2.914 -1.027 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.743 -1.258 -2.773 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.949 -1.578 -1.116 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.274 -0.750 -1.989 1.00 0.00 C ATOM 0 H PHE A 115 -2.249 -4.507 0.246 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.749 -4.570 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.368 -5.301 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.307 -5.431 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.881 -2.984 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.138 -3.557 -0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.271 -0.611 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.745 -1.182 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.541 0.294 -2.059 1.00 0.00 H new ATOM 1844 N THR A 116 -2.553 -7.474 -1.010 1.00 0.00 N ATOM 1845 CA THR A 116 -2.763 -8.908 -1.180 1.00 0.00 C ATOM 1846 C THR A 116 -3.710 -9.466 -0.121 1.00 0.00 C ATOM 1847 O THR A 116 -4.348 -10.498 -0.329 1.00 0.00 O ATOM 1848 CB THR A 116 -1.430 -9.678 -1.114 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.797 -9.450 0.150 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.497 -9.246 -2.236 1.00 0.00 C ATOM 0 H THR A 116 -2.434 -7.176 -0.042 1.00 0.00 H new ATOM 0 HA THR A 116 -3.211 -9.043 -2.164 1.00 0.00 H new ATOM 0 HB THR A 116 -1.644 -10.740 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.049 -9.944 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.437 -9.804 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.969 -9.445 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.290 -8.180 -2.147 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.795 -8.780 1.015 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.664 -9.211 2.106 1.00 0.00 C ATOM 1860 C ASP A 117 -6.128 -8.911 1.791 1.00 0.00 C ATOM 1861 O ASP A 117 -6.697 -7.942 2.296 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.255 -8.525 3.412 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.866 -8.929 3.864 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.884 -8.341 3.363 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.759 -9.835 4.717 1.00 0.00 O ATOM 0 H ASP A 117 -3.273 -7.924 1.204 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.554 -10.289 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.291 -7.444 3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.975 -8.774 4.192 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.729 -9.752 0.953 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.125 -9.581 0.564 1.00 0.00 C ATOM 1872 C PHE A 118 -9.037 -9.591 1.787 1.00 0.00 C ATOM 1873 O PHE A 118 -10.104 -8.976 1.781 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.542 -10.688 -0.407 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.927 -10.513 -0.964 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.144 -9.719 -2.079 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.012 -11.145 -0.375 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.416 -9.558 -2.596 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.286 -10.987 -0.887 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.488 -10.193 -1.999 1.00 0.00 C ATOM 0 H PHE A 118 -6.270 -10.559 0.530 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.224 -8.615 0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.830 -10.723 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.484 -11.649 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.310 -9.220 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.860 -11.768 0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.572 -8.937 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.123 -11.484 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.483 -10.069 -2.401 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.611 -10.292 2.833 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.389 -10.377 4.063 1.00 0.00 C ATOM 1892 C LEU A 119 -9.537 -9.001 4.702 1.00 0.00 C ATOM 1893 O LEU A 119 -10.618 -8.629 5.161 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.726 -11.344 5.048 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.558 -12.779 4.541 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -7.772 -13.609 5.544 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.914 -13.416 4.273 1.00 0.00 C ATOM 0 H LEU A 119 -7.732 -10.809 2.853 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.381 -10.753 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.744 -10.952 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.317 -11.366 5.964 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.002 -12.748 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.662 -14.626 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.786 -13.167 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.304 -13.630 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.773 -14.435 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.496 -13.434 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.446 -12.836 3.519 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.441 -8.247 4.725 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.444 -6.911 5.307 1.00 0.00 C ATOM 1911 C ALA A 120 -9.112 -5.909 4.373 1.00 0.00 C ATOM 1912 O ALA A 120 -9.662 -4.903 4.817 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.023 -6.473 5.628 1.00 0.00 C ATOM 0 H ALA A 120 -7.540 -8.540 4.347 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.019 -6.944 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.040 -5.473 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.579 -7.170 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.430 -6.461 4.713 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.059 -6.197 3.076 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.656 -5.326 2.068 1.00 0.00 C ATOM 1921 C PHE A 121 -11.172 -5.262 2.239 1.00 0.00 C ATOM 1922 O PHE A 121 -11.751 -4.181 2.375 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.303 -5.842 0.669 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.487 -4.831 -0.430 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.963 -3.553 -0.313 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.172 -5.166 -1.587 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.120 -2.629 -1.329 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.334 -4.245 -2.605 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.807 -2.975 -2.476 1.00 0.00 C ATOM 0 H PHE A 121 -8.607 -7.029 2.697 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.257 -4.319 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.265 -6.176 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.919 -6.715 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.426 -3.276 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.584 -6.158 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.706 -1.637 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.872 -4.518 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.932 -2.254 -3.270 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.806 -6.430 2.244 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.253 -6.518 2.400 1.00 0.00 C ATOM 1941 C LYS A 122 -13.684 -5.998 3.766 1.00 0.00 C ATOM 1942 O LYS A 122 -14.625 -5.211 3.873 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.717 -7.965 2.223 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.228 -8.126 2.246 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.634 -9.585 2.123 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.144 -9.736 2.040 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.701 -9.062 0.835 1.00 0.00 N ATOM 0 H LYS A 122 -11.339 -7.331 2.141 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.716 -5.898 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.333 -8.348 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.283 -8.576 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.625 -7.714 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.668 -7.554 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.174 -10.018 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.258 -10.142 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.403 -10.795 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.601 -9.316 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.415 -8.365 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.936 -8.580 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.142 -9.770 0.214 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.988 -6.443 4.808 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.299 -6.028 6.170 1.00 0.00 C ATOM 1963 C GLU A 123 -13.138 -4.520 6.331 1.00 0.00 C ATOM 1964 O GLU A 123 -13.844 -3.892 7.121 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.394 -6.761 7.164 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.661 -6.400 8.617 1.00 0.00 C ATOM 1967 CD GLU A 123 -14.058 -6.783 9.067 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.982 -5.960 8.899 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -14.227 -7.906 9.587 1.00 0.00 O ATOM 0 H GLU A 123 -12.204 -7.092 4.734 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.338 -6.285 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.525 -7.836 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.354 -6.536 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.929 -6.900 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.521 -5.328 8.752 1.00 0.00 H new ATOM 1976 N MET A 124 -12.208 -3.943 5.576 1.00 0.00 N ATOM 1977 CA MET A 124 -11.958 -2.508 5.638 1.00 0.00 C ATOM 1978 C MET A 124 -13.181 -1.726 5.169 1.00 0.00 C ATOM 1979 O MET A 124 -13.608 -0.775 5.824 1.00 0.00 O ATOM 1980 CB MET A 124 -10.741 -2.139 4.787 1.00 0.00 C ATOM 1981 CG MET A 124 -10.403 -0.657 4.817 1.00 0.00 C ATOM 1982 SD MET A 124 -8.952 -0.254 3.825 1.00 0.00 S ATOM 1983 CE MET A 124 -9.506 -0.747 2.194 1.00 0.00 C ATOM 0 H MET A 124 -11.616 -4.447 4.915 1.00 0.00 H new ATOM 0 HA MET A 124 -11.754 -2.244 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.879 -2.707 5.136 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.925 -2.440 3.756 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.257 -0.086 4.453 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.230 -0.349 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.896 -0.253 1.438 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.410 -1.828 2.088 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.550 -0.461 2.062 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.741 -2.132 4.033 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.919 -1.464 3.486 1.00 0.00 C ATOM 1995 C PHE A 125 -16.110 -1.592 4.430 1.00 0.00 C ATOM 1996 O PHE A 125 -16.877 -0.646 4.605 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.276 -2.042 2.117 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.262 -1.733 1.054 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.978 -0.421 0.711 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.594 -2.753 0.400 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.045 -0.133 -0.266 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.661 -2.472 -0.578 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.385 -1.160 -0.912 1.00 0.00 C ATOM 0 H PHE A 125 -13.401 -2.916 3.476 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.680 -0.407 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.381 -3.123 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.245 -1.651 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.492 0.385 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.805 -3.780 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.832 0.894 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.147 -3.277 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.655 -0.938 -1.676 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.261 -2.767 5.035 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.361 -3.010 5.961 1.00 0.00 C ATOM 2015 C LEU A 126 -17.253 -2.095 7.177 1.00 0.00 C ATOM 2016 O LEU A 126 -18.262 -1.719 7.775 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.376 -4.477 6.400 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.533 -5.495 5.265 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.572 -6.911 5.818 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.786 -5.207 4.451 1.00 0.00 C ATOM 0 H LEU A 126 -15.637 -3.563 4.901 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.296 -2.790 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.449 -4.690 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.191 -4.619 7.110 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.669 -5.405 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.684 -7.619 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.645 -7.119 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.415 -7.012 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.877 -5.942 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.661 -5.264 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.718 -4.208 4.020 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.022 -1.740 7.536 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.780 -0.857 8.672 1.00 0.00 C ATOM 2034 C ASP A 127 -16.194 0.571 8.335 1.00 0.00 C ATOM 2035 O ASP A 127 -16.776 1.274 9.162 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.302 -0.898 9.068 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.974 0.065 10.193 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.201 -0.294 11.367 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.485 1.176 9.899 1.00 0.00 O ATOM 0 H ASP A 127 -15.177 -2.051 7.056 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.380 -1.203 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.039 -1.911 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.690 -0.658 8.199 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.890 0.990 7.111 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.235 2.329 6.650 1.00 0.00 C ATOM 2046 C TYR A 128 -17.750 2.483 6.552 1.00 0.00 C ATOM 2047 O TYR A 128 -18.293 3.560 6.795 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.585 2.601 5.291 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.874 3.978 4.735 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.149 5.086 5.157 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.870 4.169 3.785 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.408 6.344 4.648 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.135 5.425 3.272 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.402 6.508 3.707 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.663 7.760 3.198 1.00 0.00 O ATOM 0 H TYR A 128 -15.404 0.419 6.419 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.859 3.055 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.506 2.477 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.931 1.853 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.370 4.962 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.446 3.323 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.835 7.195 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.912 5.557 2.534 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.392 7.702 2.545 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.425 1.392 6.198 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.877 1.397 6.070 1.00 0.00 C ATOM 2067 C ARG A 129 -20.545 1.512 7.438 1.00 0.00 C ATOM 2068 O ARG A 129 -21.534 2.227 7.598 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.350 0.123 5.365 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.856 0.063 5.160 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.274 -1.234 4.487 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.718 -1.304 4.277 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.335 -2.343 3.720 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.636 -3.399 3.323 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.651 -2.328 3.560 1.00 0.00 N ATOM 0 H ARG A 129 -17.988 0.493 5.995 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.162 2.264 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.857 0.050 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.036 -0.743 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.359 0.154 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.176 0.909 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.764 -1.325 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.956 -2.078 5.099 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.286 -0.511 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.623 -3.415 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.111 -4.194 2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.193 -1.519 3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.122 -3.126 3.133 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.997 0.803 8.421 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.539 0.824 9.776 1.00 0.00 C ATOM 2091 C ALA A 130 -20.358 2.194 10.421 1.00 0.00 C ATOM 2092 O ALA A 130 -21.152 2.600 11.270 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.879 -0.251 10.626 1.00 0.00 C ATOM 0 H ALA A 130 -19.178 0.207 8.304 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.608 0.619 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.293 -0.223 11.634 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.065 -1.230 10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.805 -0.071 10.670 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.308 2.901 10.013 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.019 4.226 10.552 1.00 0.00 C ATOM 2101 C GLU A 131 -20.096 5.230 10.144 1.00 0.00 C ATOM 2102 O GLU A 131 -20.224 6.297 10.744 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.645 4.703 10.074 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.233 6.054 10.637 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.849 6.477 10.184 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.739 7.084 9.098 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.875 6.200 10.915 1.00 0.00 O ATOM 0 H GLU A 131 -18.643 2.578 9.310 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.013 4.156 11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.897 3.961 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.649 4.760 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.958 6.808 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.258 6.013 11.726 1.00 0.00 H new ATOM 2114 N LYS A 132 -20.871 4.877 9.122 1.00 0.00 N ATOM 2115 CA LYS A 132 -21.936 5.748 8.634 1.00 0.00 C ATOM 2116 C LYS A 132 -23.101 5.789 9.618 1.00 0.00 C ATOM 2117 O LYS A 132 -24.065 6.530 9.423 1.00 0.00 O ATOM 2118 CB LYS A 132 -22.426 5.273 7.263 1.00 0.00 C ATOM 2119 CG LYS A 132 -21.369 5.358 6.173 1.00 0.00 C ATOM 2120 CD LYS A 132 -20.991 6.800 5.872 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.966 6.886 4.753 1.00 0.00 C ATOM 2122 NZ LYS A 132 -19.581 8.294 4.457 1.00 0.00 N ATOM 0 H LYS A 132 -20.782 3.996 8.617 1.00 0.00 H new ATOM 0 HA LYS A 132 -21.531 6.755 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -22.767 4.241 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -23.288 5.871 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -20.482 4.805 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.741 4.882 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -21.883 7.360 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -20.589 7.267 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -19.078 6.318 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -20.372 6.424 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.632 8.312 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -20.266 8.709 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -19.576 8.845 5.339 1.00 0.00 H new ATOM 2136 N GLU A 133 -23.006 4.989 10.675 1.00 0.00 N ATOM 2137 CA GLU A 133 -24.051 4.937 11.691 1.00 0.00 C ATOM 2138 C GLU A 133 -23.843 6.032 12.733 1.00 0.00 C ATOM 2139 O GLU A 133 -24.783 6.440 13.416 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.077 3.557 12.355 1.00 0.00 C ATOM 2141 CG GLU A 133 -23.355 3.506 13.686 1.00 0.00 C ATOM 2142 CD GLU A 133 -23.516 2.173 14.390 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -22.756 1.236 14.067 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -24.401 2.067 15.265 1.00 0.00 O ATOM 0 H GLU A 133 -22.216 4.368 10.850 1.00 0.00 H new ATOM 0 HA GLU A 133 -25.013 5.107 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -25.114 3.254 12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -23.626 2.830 11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -22.295 3.702 13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -23.733 4.300 14.330 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.605 6.503 12.849 1.00 0.00 N ATOM 2152 CA GLY A 134 -22.293 7.547 13.808 1.00 0.00 C ATOM 2153 C GLY A 134 -22.070 8.893 13.147 1.00 0.00 C ATOM 2154 O GLY A 134 -22.052 9.925 13.819 1.00 0.00 O ATOM 0 H GLY A 134 -21.812 6.180 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -23.107 7.630 14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -21.400 7.268 14.367 1.00 0.00 H new ATOM 2158 N ARG A 135 -21.899 8.880 11.827 1.00 0.00 N ATOM 2159 CA ARG A 135 -21.674 10.105 11.064 1.00 0.00 C ATOM 2160 C ARG A 135 -20.438 10.845 11.569 1.00 0.00 C ATOM 2161 O ARG A 135 -20.523 11.664 12.484 1.00 0.00 O ATOM 2162 CB ARG A 135 -22.901 11.017 11.142 1.00 0.00 C ATOM 2163 CG ARG A 135 -24.158 10.400 10.550 1.00 0.00 C ATOM 2164 CD ARG A 135 -25.357 11.323 10.700 1.00 0.00 C ATOM 2165 NE ARG A 135 -25.681 11.577 12.102 1.00 0.00 N ATOM 2166 CZ ARG A 135 -26.773 12.221 12.505 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -27.648 12.673 11.615 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -26.992 12.412 13.799 1.00 0.00 N ATOM 0 H ARG A 135 -21.912 8.031 11.262 1.00 0.00 H new ATOM 0 HA ARG A 135 -21.506 9.827 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -23.088 11.271 12.185 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -22.684 11.949 10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -23.995 10.182 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -24.365 9.450 11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -25.151 12.269 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -26.220 10.880 10.203 1.00 0.00 H new ATOM 0 HE ARG A 135 -25.032 11.241 12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -27.484 12.527 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -28.484 13.166 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -26.323 12.065 14.486 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -27.830 12.906 14.107 1.00 0.00 H new ATOM 2182 N GLY A 136 -19.290 10.547 10.967 1.00 0.00 N ATOM 2183 CA GLY A 136 -18.052 11.190 11.367 1.00 0.00 C ATOM 2184 C GLY A 136 -16.964 10.192 11.707 1.00 0.00 C ATOM 2185 O GLY A 136 -15.774 10.523 11.518 1.00 0.00 O ATOM 2186 OXT GLY A 136 -17.301 9.079 12.163 1.00 0.00 O ATOM 0 H GLY A 136 -19.196 9.871 10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -17.707 11.839 10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -18.240 11.827 12.232 1.00 0.00 H new TER 2190 GLY A 136