USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 93 GLN :FLIP amide:sc= -5.36! C(o=-15!,f=-5.7!) USER MOD Set 1.2: A 97 THR OG1 : rot 26:sc= -0.376! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -1.96! C(o=-8.2!,f=-5.5!) USER MOD Set 2.2: A 25 GLN : amide:sc= -3.51! C(o=-5.5!,f=-8.2!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ -118:sc= -3.44! (180deg=-1.85!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 172:sc= -1.99 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 166:sc= -0.0178 (180deg=-0.212) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.864 F(o=-3.4!,f=-0.86) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.105 F(o=-2.6!,f=-0.1) USER MOD Single : A 13 ASN : amide:sc= -2.07 K(o=-2.1,f=-9.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 81:sc= -0.186 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 165:sc= -2.21! (180deg=-2.61!) USER MOD Single : A 41 GLN :FLIP amide:sc= -4.44! C(o=-5.1!,f=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ -108:sc= -2.48 (180deg=-4.63!) USER MOD Single : A 44 THR OG1 : rot 151:sc= -1.66 USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -1.88 (180deg=-4.14!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 9:sc= 1.02 USER MOD Single : A 55 SER OG : rot 180:sc= -1.61! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0579 F(o=-1.3!,f=-0.058) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -5.23! C(o=-7.5!,f=-5.2!) USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= 0.374 (180deg=0.104) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -2! C(o=-2!,f=-1.8!) USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= 0.00146 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.556 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.0588 X(o=0.059,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.791 F(o=-4.5!,f=-0.79) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.249 11.209 6.519 1.00 0.00 N ATOM 2 CA ALA A 1 -14.792 10.337 5.398 1.00 0.00 C ATOM 3 C ALA A 1 -13.597 10.987 4.705 1.00 0.00 C ATOM 4 O ALA A 1 -13.424 10.882 3.507 1.00 0.00 O ATOM 5 CB ALA A 1 -15.926 10.172 4.395 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.189 10.900 6.838 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.576 11.141 7.309 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.301 12.195 6.193 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.502 9.362 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.596 9.535 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.784 9.714 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.211 11.149 4.004 1.00 0.00 H new ATOM 10 N ASP A 2 -12.777 11.663 5.452 1.00 0.00 N ATOM 11 CA ASP A 2 -11.591 12.333 4.850 1.00 0.00 C ATOM 12 C ASP A 2 -10.493 11.300 4.576 1.00 0.00 C ATOM 13 O ASP A 2 -10.755 10.128 4.402 1.00 0.00 O ATOM 14 CB ASP A 2 -11.067 13.403 5.815 1.00 0.00 C ATOM 15 CG ASP A 2 -12.246 14.145 6.445 1.00 0.00 C ATOM 16 OD1 ASP A 2 -13.349 14.000 5.943 1.00 0.00 O ATOM 17 OD2 ASP A 2 -12.027 14.846 7.419 1.00 0.00 O ATOM 0 H ASP A 2 -12.875 11.783 6.460 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.879 12.802 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.458 12.940 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.425 14.105 5.283 1.00 0.00 H new ATOM 22 N LEU A 3 -9.266 11.739 4.532 1.00 0.00 N ATOM 23 CA LEU A 3 -8.128 10.810 4.263 1.00 0.00 C ATOM 24 C LEU A 3 -8.298 9.516 5.075 1.00 0.00 C ATOM 25 O LEU A 3 -7.799 8.474 4.700 1.00 0.00 O ATOM 26 CB LEU A 3 -6.810 11.519 4.668 1.00 0.00 C ATOM 27 CG LEU A 3 -6.044 12.067 3.444 1.00 0.00 C ATOM 28 CD1 LEU A 3 -5.298 10.924 2.741 1.00 0.00 C ATOM 29 CD2 LEU A 3 -7.003 12.774 2.459 1.00 0.00 C ATOM 0 H LEU A 3 -8.998 12.713 4.672 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.103 10.551 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.035 12.338 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.174 10.819 5.209 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.320 12.804 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.760 11.317 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.590 10.471 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.014 10.172 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.437 13.150 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.755 12.065 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.495 13.606 2.964 1.00 0.00 H new ATOM 41 N GLU A 4 -8.974 9.573 6.186 1.00 0.00 N ATOM 42 CA GLU A 4 -9.140 8.343 7.010 1.00 0.00 C ATOM 43 C GLU A 4 -9.911 7.275 6.232 1.00 0.00 C ATOM 44 O GLU A 4 -9.809 6.099 6.517 1.00 0.00 O ATOM 45 CB GLU A 4 -9.902 8.687 8.294 1.00 0.00 C ATOM 46 CG GLU A 4 -11.346 9.067 7.953 1.00 0.00 C ATOM 47 CD GLU A 4 -12.006 9.716 9.171 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.290 10.050 10.100 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.217 9.867 9.155 1.00 0.00 O ATOM 0 H GLU A 4 -9.417 10.413 6.559 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.153 7.953 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.891 7.835 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.411 9.512 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.362 9.755 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.905 8.181 7.653 1.00 0.00 H new ATOM 56 N ASP A 5 -10.700 7.663 5.267 1.00 0.00 N ATOM 57 CA ASP A 5 -11.483 6.647 4.510 1.00 0.00 C ATOM 58 C ASP A 5 -10.585 5.866 3.553 1.00 0.00 C ATOM 59 O ASP A 5 -10.762 4.678 3.377 1.00 0.00 O ATOM 60 CB ASP A 5 -12.609 7.331 3.730 1.00 0.00 C ATOM 61 CG ASP A 5 -12.022 8.153 2.581 1.00 0.00 C ATOM 62 OD1 ASP A 5 -10.866 8.527 2.675 1.00 0.00 O ATOM 63 OD2 ASP A 5 -12.740 8.395 1.626 1.00 0.00 O ATOM 0 H ASP A 5 -10.835 8.630 4.973 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.913 5.945 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.298 6.583 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.183 7.977 4.394 1.00 0.00 H new ATOM 68 N ASN A 6 -9.612 6.494 2.938 1.00 0.00 N ATOM 69 CA ASN A 6 -8.725 5.727 2.021 1.00 0.00 C ATOM 70 C ASN A 6 -8.215 4.529 2.827 1.00 0.00 C ATOM 71 O ASN A 6 -8.143 3.415 2.350 1.00 0.00 O ATOM 72 CB ASN A 6 -7.578 6.650 1.530 1.00 0.00 C ATOM 73 CG ASN A 6 -6.230 5.923 1.522 1.00 0.00 C ATOM 74 OD1 ASN A 6 -5.668 5.629 2.656 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -5.687 5.630 0.476 1.00 0.00 N flip ATOM 0 H ASN A 6 -9.399 7.487 3.031 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.240 5.373 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -7.804 7.009 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.515 7.527 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.132 5.863 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.786 5.151 0.486 1.00 0.00 H new ATOM 82 N TRP A 7 -7.907 4.769 4.071 1.00 0.00 N ATOM 83 CA TRP A 7 -7.447 3.677 4.967 1.00 0.00 C ATOM 84 C TRP A 7 -8.565 2.636 5.104 1.00 0.00 C ATOM 85 O TRP A 7 -8.326 1.448 5.067 1.00 0.00 O ATOM 86 CB TRP A 7 -7.118 4.273 6.354 1.00 0.00 C ATOM 87 CG TRP A 7 -5.639 4.468 6.487 1.00 0.00 C ATOM 88 CD1 TRP A 7 -4.940 5.379 5.789 1.00 0.00 C ATOM 89 CD2 TRP A 7 -4.672 3.761 7.324 1.00 0.00 C ATOM 90 NE1 TRP A 7 -3.609 5.293 6.142 1.00 0.00 N ATOM 91 CE2 TRP A 7 -3.391 4.313 7.084 1.00 0.00 C ATOM 92 CE3 TRP A 7 -4.774 2.711 8.255 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -2.253 3.849 7.743 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -3.627 2.236 8.921 1.00 0.00 C ATOM 95 CH2 TRP A 7 -2.368 2.807 8.664 1.00 0.00 C ATOM 0 H TRP A 7 -7.956 5.689 4.509 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.558 3.201 4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.632 5.226 6.481 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.478 3.609 7.140 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.354 6.068 5.067 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.875 5.884 5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.737 2.267 8.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.289 4.293 7.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.715 1.429 9.633 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.492 2.440 9.178 1.00 0.00 H new ATOM 106 N GLU A 8 -9.782 3.084 5.283 1.00 0.00 N ATOM 107 CA GLU A 8 -10.916 2.131 5.453 1.00 0.00 C ATOM 108 C GLU A 8 -10.904 1.120 4.311 1.00 0.00 C ATOM 109 O GLU A 8 -10.995 -0.072 4.525 1.00 0.00 O ATOM 110 CB GLU A 8 -12.230 2.906 5.432 1.00 0.00 C ATOM 111 CG GLU A 8 -13.365 2.005 5.923 1.00 0.00 C ATOM 112 CD GLU A 8 -14.655 2.819 6.021 1.00 0.00 C ATOM 113 OE1 GLU A 8 -14.617 3.881 6.620 1.00 0.00 O ATOM 114 OE2 GLU A 8 -15.660 2.368 5.496 1.00 0.00 O ATOM 0 H GLU A 8 -10.038 4.071 5.319 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.815 1.606 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.153 3.789 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.441 3.256 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.502 1.168 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.114 1.583 6.896 1.00 0.00 H new ATOM 121 N THR A 9 -10.777 1.580 3.103 1.00 0.00 N ATOM 122 CA THR A 9 -10.743 0.636 1.958 1.00 0.00 C ATOM 123 C THR A 9 -9.639 -0.397 2.218 1.00 0.00 C ATOM 124 O THR A 9 -9.871 -1.593 2.262 1.00 0.00 O ATOM 125 CB THR A 9 -10.442 1.429 0.670 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.031 2.718 0.775 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.026 0.706 -0.551 1.00 0.00 C ATOM 0 H THR A 9 -10.695 2.567 2.858 1.00 0.00 H new ATOM 0 HA THR A 9 -11.699 0.125 1.845 1.00 0.00 H new ATOM 0 HB THR A 9 -9.362 1.514 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.844 3.231 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.805 1.278 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.582 -0.286 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.106 0.612 -0.436 1.00 0.00 H new ATOM 135 N LEU A 10 -8.440 0.074 2.406 1.00 0.00 N ATOM 136 CA LEU A 10 -7.298 -0.835 2.678 1.00 0.00 C ATOM 137 C LEU A 10 -7.513 -1.529 4.027 1.00 0.00 C ATOM 138 O LEU A 10 -6.983 -2.586 4.286 1.00 0.00 O ATOM 139 CB LEU A 10 -6.008 0.010 2.734 1.00 0.00 C ATOM 140 CG LEU A 10 -5.392 0.227 1.317 1.00 0.00 C ATOM 141 CD1 LEU A 10 -5.771 1.611 0.767 1.00 0.00 C ATOM 142 CD2 LEU A 10 -3.862 0.145 1.402 1.00 0.00 C ATOM 0 H LEU A 10 -8.201 1.065 2.382 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.220 -1.589 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.227 0.977 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.278 -0.484 3.375 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.781 -0.547 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.332 1.742 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.856 1.689 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.395 2.384 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.434 0.297 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.493 0.916 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.570 -0.836 1.777 1.00 0.00 H new ATOM 154 N ASN A 11 -8.261 -0.935 4.898 1.00 0.00 N ATOM 155 CA ASN A 11 -8.476 -1.563 6.226 1.00 0.00 C ATOM 156 C ASN A 11 -9.197 -2.893 6.060 1.00 0.00 C ATOM 157 O ASN A 11 -8.676 -3.952 6.352 1.00 0.00 O ATOM 158 CB ASN A 11 -9.350 -0.654 7.080 1.00 0.00 C ATOM 159 CG ASN A 11 -9.301 -1.137 8.532 1.00 0.00 C ATOM 160 OD1 ASN A 11 -8.551 -2.168 8.835 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -9.947 -0.578 9.396 1.00 0.00 N flip ATOM 0 H ASN A 11 -8.734 -0.043 4.753 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.508 -1.720 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.000 0.376 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.377 -0.666 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.530 0.224 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.906 -0.911 10.359 1.00 0.00 H new ATOM 168 N ASP A 12 -10.409 -2.824 5.607 1.00 0.00 N ATOM 169 CA ASP A 12 -11.223 -4.044 5.421 1.00 0.00 C ATOM 170 C ASP A 12 -10.470 -5.035 4.559 1.00 0.00 C ATOM 171 O ASP A 12 -10.783 -6.209 4.535 1.00 0.00 O ATOM 172 CB ASP A 12 -12.503 -3.669 4.696 1.00 0.00 C ATOM 173 CG ASP A 12 -13.387 -2.817 5.609 1.00 0.00 C ATOM 174 OD1 ASP A 12 -12.854 -2.225 6.533 1.00 0.00 O ATOM 175 OD2 ASP A 12 -14.582 -2.769 5.367 1.00 0.00 O ATOM 0 H ASP A 12 -10.879 -1.955 5.353 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.439 -4.485 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.268 -3.118 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.038 -4.570 4.394 1.00 0.00 H new ATOM 180 N ASN A 13 -9.491 -4.589 3.833 1.00 0.00 N ATOM 181 CA ASN A 13 -8.772 -5.556 2.975 1.00 0.00 C ATOM 182 C ASN A 13 -8.045 -6.561 3.875 1.00 0.00 C ATOM 183 O ASN A 13 -8.285 -7.747 3.800 1.00 0.00 O ATOM 184 CB ASN A 13 -7.773 -4.830 2.058 1.00 0.00 C ATOM 185 CG ASN A 13 -8.458 -4.448 0.746 1.00 0.00 C ATOM 186 OD1 ASN A 13 -8.349 -5.157 -0.231 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.172 -3.359 0.689 1.00 0.00 N ATOM 0 H ASN A 13 -9.165 -3.623 3.796 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.484 -6.080 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.393 -3.937 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.916 -5.473 1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.641 -3.101 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.262 -2.764 1.513 1.00 0.00 H new ATOM 194 N LEU A 14 -7.179 -6.101 4.735 1.00 0.00 N ATOM 195 CA LEU A 14 -6.461 -7.047 5.639 1.00 0.00 C ATOM 196 C LEU A 14 -7.487 -7.862 6.422 1.00 0.00 C ATOM 197 O LEU A 14 -7.271 -9.009 6.758 1.00 0.00 O ATOM 198 CB LEU A 14 -5.602 -6.272 6.649 1.00 0.00 C ATOM 199 CG LEU A 14 -4.340 -5.674 5.987 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.394 -6.782 5.506 1.00 0.00 C ATOM 201 CD2 LEU A 14 -4.739 -4.787 4.804 1.00 0.00 C ATOM 0 H LEU A 14 -6.937 -5.117 4.852 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.825 -7.694 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.195 -5.471 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.307 -6.937 7.461 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.818 -5.074 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.514 -6.334 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.087 -7.392 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.908 -7.408 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.843 -4.370 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.281 -5.382 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.377 -3.976 5.156 1.00 0.00 H new ATOM 213 N LYS A 15 -8.590 -7.257 6.734 1.00 0.00 N ATOM 214 CA LYS A 15 -9.643 -7.948 7.524 1.00 0.00 C ATOM 215 C LYS A 15 -10.130 -9.209 6.806 1.00 0.00 C ATOM 216 O LYS A 15 -10.228 -10.265 7.397 1.00 0.00 O ATOM 217 CB LYS A 15 -10.810 -6.973 7.698 1.00 0.00 C ATOM 218 CG LYS A 15 -11.836 -7.530 8.690 1.00 0.00 C ATOM 219 CD LYS A 15 -13.101 -6.620 8.713 1.00 0.00 C ATOM 220 CE LYS A 15 -14.302 -7.351 8.099 1.00 0.00 C ATOM 221 NZ LYS A 15 -14.824 -8.352 9.071 1.00 0.00 N ATOM 0 H LYS A 15 -8.813 -6.297 6.472 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.238 -8.251 8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.438 -6.012 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.288 -6.794 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.113 -8.546 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.398 -7.584 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.330 -6.331 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.905 -5.702 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.084 -6.636 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.006 -7.846 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.738 -9.306 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.275 -8.299 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.824 -8.150 9.274 1.00 0.00 H new ATOM 235 N VAL A 16 -10.463 -9.118 5.555 1.00 0.00 N ATOM 236 CA VAL A 16 -10.967 -10.313 4.845 1.00 0.00 C ATOM 237 C VAL A 16 -9.863 -11.376 4.700 1.00 0.00 C ATOM 238 O VAL A 16 -10.065 -12.512 5.069 1.00 0.00 O ATOM 239 CB VAL A 16 -11.523 -9.855 3.485 1.00 0.00 C ATOM 240 CG1 VAL A 16 -11.507 -10.999 2.475 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.966 -9.373 3.668 1.00 0.00 C ATOM 0 H VAL A 16 -10.407 -8.267 4.995 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.765 -10.789 5.415 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.895 -9.048 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.905 -10.649 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.483 -11.346 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.121 -11.820 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.365 -9.047 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.576 -10.189 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.985 -8.540 4.370 1.00 0.00 H new ATOM 251 N ILE A 17 -8.709 -11.050 4.169 1.00 0.00 N ATOM 252 CA ILE A 17 -7.654 -12.111 4.031 1.00 0.00 C ATOM 253 C ILE A 17 -7.494 -12.794 5.390 1.00 0.00 C ATOM 254 O ILE A 17 -7.447 -14.004 5.497 1.00 0.00 O ATOM 255 CB ILE A 17 -6.294 -11.506 3.577 1.00 0.00 C ATOM 256 CG1 ILE A 17 -6.488 -10.049 3.160 1.00 0.00 C ATOM 257 CG2 ILE A 17 -5.730 -12.287 2.386 1.00 0.00 C ATOM 258 CD1 ILE A 17 -5.179 -9.465 2.601 1.00 0.00 C ATOM 0 H ILE A 17 -8.453 -10.122 3.832 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.960 -12.828 3.269 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.597 -11.567 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.273 -9.983 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.818 -9.461 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.779 -11.850 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.576 -13.327 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.433 -12.240 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.339 -8.427 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.404 -9.512 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.866 -10.042 1.731 1.00 0.00 H new ATOM 270 N GLU A 18 -7.434 -12.014 6.429 1.00 0.00 N ATOM 271 CA GLU A 18 -7.307 -12.594 7.786 1.00 0.00 C ATOM 272 C GLU A 18 -8.531 -13.474 8.055 1.00 0.00 C ATOM 273 O GLU A 18 -8.489 -14.389 8.855 1.00 0.00 O ATOM 274 CB GLU A 18 -7.256 -11.456 8.817 1.00 0.00 C ATOM 275 CG GLU A 18 -6.004 -10.568 8.586 1.00 0.00 C ATOM 276 CD GLU A 18 -4.861 -11.012 9.508 1.00 0.00 C ATOM 277 OE1 GLU A 18 -4.823 -10.548 10.637 1.00 0.00 O ATOM 278 OE2 GLU A 18 -4.046 -11.808 9.071 1.00 0.00 O ATOM 0 H GLU A 18 -7.468 -10.995 6.394 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.397 -13.190 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.158 -10.849 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.234 -11.871 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.688 -10.636 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.250 -9.523 8.777 1.00 0.00 H new ATOM 285 N LYS A 19 -9.635 -13.181 7.400 1.00 0.00 N ATOM 286 CA LYS A 19 -10.896 -13.965 7.608 1.00 0.00 C ATOM 287 C LYS A 19 -11.437 -14.438 6.248 1.00 0.00 C ATOM 288 O LYS A 19 -12.628 -14.442 6.005 1.00 0.00 O ATOM 289 CB LYS A 19 -11.917 -13.041 8.293 1.00 0.00 C ATOM 290 CG LYS A 19 -11.396 -12.638 9.696 1.00 0.00 C ATOM 291 CD LYS A 19 -11.837 -11.206 10.061 1.00 0.00 C ATOM 292 CE LYS A 19 -13.352 -11.031 9.854 1.00 0.00 C ATOM 293 NZ LYS A 19 -13.895 -10.195 10.961 1.00 0.00 N ATOM 0 H LYS A 19 -9.714 -12.422 6.723 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.709 -14.842 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.081 -12.151 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.878 -13.548 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.771 -13.339 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.308 -12.703 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.581 -10.995 11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.296 -10.486 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.549 -10.558 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.845 -12.003 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.887 -9.957 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.839 -10.724 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.338 -9.320 11.041 1.00 0.00 H new ATOM 307 N ALA A 20 -10.557 -14.816 5.357 1.00 0.00 N ATOM 308 CA ALA A 20 -10.981 -15.276 3.997 1.00 0.00 C ATOM 309 C ALA A 20 -11.818 -16.560 4.078 1.00 0.00 C ATOM 310 O ALA A 20 -12.700 -16.782 3.278 1.00 0.00 O ATOM 311 CB ALA A 20 -9.721 -15.526 3.152 1.00 0.00 C ATOM 0 H ALA A 20 -9.549 -14.826 5.515 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.601 -14.506 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.011 -15.862 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.148 -14.602 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.109 -16.291 3.629 1.00 0.00 H new ATOM 317 N ASP A 21 -11.523 -17.418 5.015 1.00 0.00 N ATOM 318 CA ASP A 21 -12.270 -18.706 5.128 1.00 0.00 C ATOM 319 C ASP A 21 -11.846 -19.636 3.982 1.00 0.00 C ATOM 320 O ASP A 21 -11.751 -20.837 4.146 1.00 0.00 O ATOM 321 CB ASP A 21 -13.785 -18.446 5.055 1.00 0.00 C ATOM 322 CG ASP A 21 -14.110 -17.113 5.733 1.00 0.00 C ATOM 323 OD1 ASP A 21 -14.033 -17.056 6.951 1.00 0.00 O ATOM 324 OD2 ASP A 21 -14.434 -16.174 5.027 1.00 0.00 O ATOM 0 H ASP A 21 -10.792 -17.283 5.713 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.041 -19.175 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.111 -18.426 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.327 -19.256 5.543 1.00 0.00 H new ATOM 329 N ASN A 22 -11.577 -19.088 2.826 1.00 0.00 N ATOM 330 CA ASN A 22 -11.142 -19.937 1.668 1.00 0.00 C ATOM 331 C ASN A 22 -10.264 -19.116 0.721 1.00 0.00 C ATOM 332 O ASN A 22 -10.371 -17.907 0.646 1.00 0.00 O ATOM 333 CB ASN A 22 -12.364 -20.446 0.900 1.00 0.00 C ATOM 334 CG ASN A 22 -13.402 -20.974 1.886 1.00 0.00 C ATOM 335 OD1 ASN A 22 -14.331 -20.171 2.314 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -13.365 -22.127 2.270 1.00 0.00 N flip ATOM 0 H ASN A 22 -11.639 -18.089 2.630 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.575 -20.785 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.792 -19.641 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.069 -21.235 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.635 -22.754 1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.064 -22.467 2.930 1.00 0.00 H new ATOM 343 N ALA A 23 -9.400 -19.767 -0.010 1.00 0.00 N ATOM 344 CA ALA A 23 -8.517 -19.035 -0.962 1.00 0.00 C ATOM 345 C ALA A 23 -9.373 -18.169 -1.891 1.00 0.00 C ATOM 346 O ALA A 23 -8.893 -17.240 -2.509 1.00 0.00 O ATOM 347 CB ALA A 23 -7.723 -20.045 -1.793 1.00 0.00 C ATOM 0 H ALA A 23 -9.268 -20.778 0.012 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.829 -18.398 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.076 -19.513 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.115 -20.662 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.412 -20.680 -2.349 1.00 0.00 H new ATOM 353 N ALA A 24 -10.636 -18.470 -1.998 1.00 0.00 N ATOM 354 CA ALA A 24 -11.520 -17.666 -2.888 1.00 0.00 C ATOM 355 C ALA A 24 -11.632 -16.235 -2.358 1.00 0.00 C ATOM 356 O ALA A 24 -11.395 -15.276 -3.065 1.00 0.00 O ATOM 357 CB ALA A 24 -12.911 -18.302 -2.929 1.00 0.00 C ATOM 0 H ALA A 24 -11.095 -19.238 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.094 -17.644 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.560 -17.716 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.835 -19.319 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.330 -18.325 -1.923 1.00 0.00 H new ATOM 363 N GLN A 25 -12.008 -16.075 -1.120 1.00 0.00 N ATOM 364 CA GLN A 25 -12.141 -14.700 -0.568 1.00 0.00 C ATOM 365 C GLN A 25 -10.761 -14.055 -0.400 1.00 0.00 C ATOM 366 O GLN A 25 -10.650 -12.860 -0.212 1.00 0.00 O ATOM 367 CB GLN A 25 -12.831 -14.762 0.789 1.00 0.00 C ATOM 368 CG GLN A 25 -14.345 -15.099 0.624 1.00 0.00 C ATOM 369 CD GLN A 25 -14.712 -16.336 1.455 1.00 0.00 C ATOM 370 OE1 GLN A 25 -14.939 -16.240 2.645 1.00 0.00 O ATOM 371 NE2 GLN A 25 -14.778 -17.502 0.871 1.00 0.00 N ATOM 0 H GLN A 25 -12.227 -16.831 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.732 -14.101 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.351 -15.517 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.720 -13.807 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.950 -14.249 0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.572 -15.279 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.588 -17.584 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.020 -18.331 1.414 1.00 0.00 H new ATOM 380 N VAL A 26 -9.708 -14.826 -0.457 1.00 0.00 N ATOM 381 CA VAL A 26 -8.353 -14.241 -0.291 1.00 0.00 C ATOM 382 C VAL A 26 -8.049 -13.354 -1.501 1.00 0.00 C ATOM 383 O VAL A 26 -7.877 -12.156 -1.389 1.00 0.00 O ATOM 384 CB VAL A 26 -7.325 -15.382 -0.222 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.911 -14.826 -0.363 1.00 0.00 C ATOM 386 CG2 VAL A 26 -7.434 -16.112 1.113 1.00 0.00 C ATOM 0 H VAL A 26 -9.731 -15.834 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.305 -13.648 0.622 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.531 -16.076 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.192 -15.644 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.814 -14.316 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.715 -14.120 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.700 -16.917 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.244 -15.412 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.436 -16.529 1.219 1.00 0.00 H new ATOM 396 N LYS A 27 -7.978 -13.951 -2.653 1.00 0.00 N ATOM 397 CA LYS A 27 -7.680 -13.178 -3.891 1.00 0.00 C ATOM 398 C LYS A 27 -8.690 -12.037 -4.043 1.00 0.00 C ATOM 399 O LYS A 27 -8.402 -11.021 -4.643 1.00 0.00 O ATOM 400 CB LYS A 27 -7.723 -14.112 -5.128 1.00 0.00 C ATOM 401 CG LYS A 27 -8.774 -15.253 -4.945 1.00 0.00 C ATOM 402 CD LYS A 27 -9.779 -15.258 -6.102 1.00 0.00 C ATOM 403 CE LYS A 27 -9.103 -15.753 -7.388 1.00 0.00 C ATOM 404 NZ LYS A 27 -9.185 -17.239 -7.441 1.00 0.00 N ATOM 0 H LYS A 27 -8.115 -14.952 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.679 -12.754 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.967 -13.530 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.737 -14.547 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.266 -16.216 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.301 -15.120 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.625 -15.900 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.175 -14.254 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.591 -15.318 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.061 -15.433 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.728 -17.581 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.701 -17.643 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.183 -17.532 -7.436 1.00 0.00 H new ATOM 418 N ASP A 28 -9.866 -12.184 -3.497 1.00 0.00 N ATOM 419 CA ASP A 28 -10.868 -11.092 -3.609 1.00 0.00 C ATOM 420 C ASP A 28 -10.298 -9.844 -2.951 1.00 0.00 C ATOM 421 O ASP A 28 -10.110 -8.835 -3.586 1.00 0.00 O ATOM 422 CB ASP A 28 -12.165 -11.521 -2.897 1.00 0.00 C ATOM 423 CG ASP A 28 -13.389 -10.950 -3.622 1.00 0.00 C ATOM 424 OD1 ASP A 28 -13.425 -11.034 -4.840 1.00 0.00 O ATOM 425 OD2 ASP A 28 -14.266 -10.436 -2.949 1.00 0.00 O ATOM 0 H ASP A 28 -10.173 -13.009 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.091 -10.884 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.228 -12.609 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.152 -11.174 -1.864 1.00 0.00 H new ATOM 430 N ALA A 29 -10.027 -9.917 -1.683 1.00 0.00 N ATOM 431 CA ALA A 29 -9.487 -8.731 -0.959 1.00 0.00 C ATOM 432 C ALA A 29 -8.305 -8.125 -1.719 1.00 0.00 C ATOM 433 O ALA A 29 -8.244 -6.929 -1.925 1.00 0.00 O ATOM 434 CB ALA A 29 -9.023 -9.156 0.433 1.00 0.00 C ATOM 0 H ALA A 29 -10.156 -10.751 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.275 -7.982 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.628 -8.291 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.866 -9.568 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.244 -9.913 0.342 1.00 0.00 H new ATOM 440 N LEU A 30 -7.359 -8.923 -2.124 1.00 0.00 N ATOM 441 CA LEU A 30 -6.190 -8.356 -2.852 1.00 0.00 C ATOM 442 C LEU A 30 -6.672 -7.617 -4.101 1.00 0.00 C ATOM 443 O LEU A 30 -6.140 -6.588 -4.466 1.00 0.00 O ATOM 444 CB LEU A 30 -5.216 -9.480 -3.225 1.00 0.00 C ATOM 445 CG LEU A 30 -4.443 -9.928 -1.959 1.00 0.00 C ATOM 446 CD1 LEU A 30 -3.945 -11.367 -2.115 1.00 0.00 C ATOM 447 CD2 LEU A 30 -3.230 -9.012 -1.727 1.00 0.00 C ATOM 0 H LEU A 30 -7.343 -9.933 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.667 -7.647 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.761 -10.323 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.518 -9.134 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.123 -9.867 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.404 -11.664 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.796 -12.032 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.280 -11.430 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.694 -9.336 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.565 -9.064 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.570 -7.985 -1.593 1.00 0.00 H new ATOM 459 N THR A 31 -7.685 -8.108 -4.755 1.00 0.00 N ATOM 460 CA THR A 31 -8.189 -7.398 -5.950 1.00 0.00 C ATOM 461 C THR A 31 -8.743 -6.036 -5.509 1.00 0.00 C ATOM 462 O THR A 31 -8.681 -5.061 -6.232 1.00 0.00 O ATOM 463 CB THR A 31 -9.287 -8.233 -6.607 1.00 0.00 C ATOM 464 OG1 THR A 31 -8.720 -9.423 -7.137 1.00 0.00 O ATOM 465 CG2 THR A 31 -9.928 -7.431 -7.730 1.00 0.00 C ATOM 0 H THR A 31 -8.181 -8.966 -4.512 1.00 0.00 H new ATOM 0 HA THR A 31 -7.387 -7.247 -6.673 1.00 0.00 H new ATOM 0 HB THR A 31 -10.044 -8.490 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.614 -10.082 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.712 -8.025 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.360 -6.517 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.172 -7.176 -8.472 1.00 0.00 H new ATOM 473 N LYS A 32 -9.262 -5.950 -4.308 1.00 0.00 N ATOM 474 CA LYS A 32 -9.777 -4.635 -3.828 1.00 0.00 C ATOM 475 C LYS A 32 -8.564 -3.761 -3.514 1.00 0.00 C ATOM 476 O LYS A 32 -8.550 -2.577 -3.785 1.00 0.00 O ATOM 477 CB LYS A 32 -10.674 -4.787 -2.575 1.00 0.00 C ATOM 478 CG LYS A 32 -11.491 -6.091 -2.630 1.00 0.00 C ATOM 479 CD LYS A 32 -12.606 -6.009 -3.706 1.00 0.00 C ATOM 480 CE LYS A 32 -12.740 -7.346 -4.467 1.00 0.00 C ATOM 481 NZ LYS A 32 -14.143 -7.490 -4.948 1.00 0.00 N ATOM 0 H LYS A 32 -9.350 -6.724 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.400 -4.181 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.055 -4.780 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.349 -3.934 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.830 -6.929 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.937 -6.285 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.556 -5.759 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.380 -5.207 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.048 -7.371 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.478 -8.179 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.243 -8.388 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.791 -7.482 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.375 -6.700 -5.583 1.00 0.00 H new ATOM 495 N MET A 33 -7.524 -4.350 -2.973 1.00 0.00 N ATOM 496 CA MET A 33 -6.297 -3.560 -2.682 1.00 0.00 C ATOM 497 C MET A 33 -5.860 -2.925 -4.000 1.00 0.00 C ATOM 498 O MET A 33 -5.524 -1.775 -4.058 1.00 0.00 O ATOM 499 CB MET A 33 -5.188 -4.496 -2.173 1.00 0.00 C ATOM 500 CG MET A 33 -5.197 -4.600 -0.636 1.00 0.00 C ATOM 501 SD MET A 33 -3.676 -5.428 -0.093 1.00 0.00 S ATOM 502 CE MET A 33 -4.417 -6.842 0.766 1.00 0.00 C ATOM 0 H MET A 33 -7.476 -5.338 -2.723 1.00 0.00 H new ATOM 0 HA MET A 33 -6.488 -2.803 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.320 -5.487 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.218 -4.128 -2.508 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.265 -3.607 -0.192 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.071 -5.159 -0.301 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.655 -7.602 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.826 -6.514 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.216 -7.261 0.155 1.00 0.00 H new ATOM 512 N ARG A 34 -5.880 -3.680 -5.066 1.00 0.00 N ATOM 513 CA ARG A 34 -5.485 -3.123 -6.392 1.00 0.00 C ATOM 514 C ARG A 34 -6.194 -1.782 -6.594 1.00 0.00 C ATOM 515 O ARG A 34 -5.593 -0.785 -6.945 1.00 0.00 O ATOM 516 CB ARG A 34 -5.935 -4.119 -7.487 1.00 0.00 C ATOM 517 CG ARG A 34 -4.735 -4.758 -8.215 1.00 0.00 C ATOM 518 CD ARG A 34 -4.184 -5.932 -7.398 1.00 0.00 C ATOM 519 NE ARG A 34 -3.776 -5.465 -6.042 1.00 0.00 N ATOM 520 CZ ARG A 34 -2.674 -4.785 -5.887 1.00 0.00 C ATOM 521 NH1 ARG A 34 -1.947 -4.475 -6.924 1.00 0.00 N ATOM 522 NH2 ARG A 34 -2.309 -4.403 -4.693 1.00 0.00 N ATOM 0 H ARG A 34 -6.154 -4.662 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.407 -2.974 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.545 -4.902 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.565 -3.602 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.042 -5.105 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.954 -4.013 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.941 -6.711 -7.310 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.330 -6.374 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.360 -5.678 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.240 -4.764 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.085 -3.943 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.885 -4.637 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.448 -3.871 -4.569 1.00 0.00 H new ATOM 536 N ALA A 35 -7.471 -1.760 -6.378 1.00 0.00 N ATOM 537 CA ALA A 35 -8.222 -0.492 -6.559 1.00 0.00 C ATOM 538 C ALA A 35 -7.746 0.513 -5.513 1.00 0.00 C ATOM 539 O ALA A 35 -7.394 1.633 -5.825 1.00 0.00 O ATOM 540 CB ALA A 35 -9.714 -0.763 -6.393 1.00 0.00 C ATOM 0 H ALA A 35 -8.029 -2.562 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.047 -0.086 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.269 0.166 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.037 -1.489 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.903 -1.160 -5.396 1.00 0.00 H new ATOM 546 N ALA A 36 -7.726 0.116 -4.273 1.00 0.00 N ATOM 547 CA ALA A 36 -7.268 1.034 -3.194 1.00 0.00 C ATOM 548 C ALA A 36 -5.759 1.304 -3.339 1.00 0.00 C ATOM 549 O ALA A 36 -5.243 2.275 -2.825 1.00 0.00 O ATOM 550 CB ALA A 36 -7.553 0.383 -1.831 1.00 0.00 C ATOM 0 H ALA A 36 -8.009 -0.812 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.802 1.982 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.221 1.048 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.623 0.202 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.017 -0.564 -1.761 1.00 0.00 H new ATOM 556 N ALA A 37 -5.048 0.437 -4.014 1.00 0.00 N ATOM 557 CA ALA A 37 -3.575 0.621 -4.166 1.00 0.00 C ATOM 558 C ALA A 37 -3.270 1.896 -4.949 1.00 0.00 C ATOM 559 O ALA A 37 -2.755 2.853 -4.411 1.00 0.00 O ATOM 560 CB ALA A 37 -2.983 -0.588 -4.896 1.00 0.00 C ATOM 0 H ALA A 37 -5.427 -0.394 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.128 0.708 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.907 -0.455 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.179 -1.492 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.441 -0.679 -5.881 1.00 0.00 H new ATOM 566 N LEU A 38 -3.550 1.917 -6.221 1.00 0.00 N ATOM 567 CA LEU A 38 -3.227 3.143 -7.004 1.00 0.00 C ATOM 568 C LEU A 38 -4.144 4.295 -6.588 1.00 0.00 C ATOM 569 O LEU A 38 -3.751 5.456 -6.575 1.00 0.00 O ATOM 570 CB LEU A 38 -3.367 2.888 -8.502 1.00 0.00 C ATOM 571 CG LEU A 38 -2.541 1.631 -8.925 1.00 0.00 C ATOM 572 CD1 LEU A 38 -3.442 0.615 -9.635 1.00 0.00 C ATOM 573 CD2 LEU A 38 -1.410 2.035 -9.884 1.00 0.00 C ATOM 0 H LEU A 38 -3.980 1.155 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.192 3.413 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.417 2.742 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.023 3.760 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.121 1.185 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.852 -0.255 -9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.241 0.305 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.874 1.072 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.842 1.150 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.836 2.497 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.748 2.745 -9.388 1.00 0.00 H new ATOM 585 N ASP A 39 -5.361 4.007 -6.219 1.00 0.00 N ATOM 586 CA ASP A 39 -6.251 5.113 -5.795 1.00 0.00 C ATOM 587 C ASP A 39 -5.558 5.792 -4.625 1.00 0.00 C ATOM 588 O ASP A 39 -5.576 6.999 -4.488 1.00 0.00 O ATOM 589 CB ASP A 39 -7.611 4.558 -5.362 1.00 0.00 C ATOM 590 CG ASP A 39 -8.530 5.710 -4.949 1.00 0.00 C ATOM 591 OD1 ASP A 39 -8.020 6.701 -4.452 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.728 5.581 -5.136 1.00 0.00 O ATOM 0 H ASP A 39 -5.768 3.072 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.430 5.816 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.062 3.995 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.484 3.865 -4.530 1.00 0.00 H new ATOM 597 N ALA A 40 -4.889 5.020 -3.813 1.00 0.00 N ATOM 598 CA ALA A 40 -4.132 5.624 -2.694 1.00 0.00 C ATOM 599 C ALA A 40 -3.039 6.505 -3.297 1.00 0.00 C ATOM 600 O ALA A 40 -2.712 7.530 -2.751 1.00 0.00 O ATOM 601 CB ALA A 40 -3.505 4.543 -1.814 1.00 0.00 C ATOM 0 H ALA A 40 -4.837 4.004 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.802 6.212 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.954 5.012 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.290 3.908 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.823 3.938 -2.411 1.00 0.00 H new ATOM 607 N GLN A 41 -2.485 6.115 -4.439 1.00 0.00 N ATOM 608 CA GLN A 41 -1.416 6.950 -5.097 1.00 0.00 C ATOM 609 C GLN A 41 -1.830 8.412 -4.976 1.00 0.00 C ATOM 610 O GLN A 41 -1.019 9.303 -4.821 1.00 0.00 O ATOM 611 CB GLN A 41 -1.296 6.581 -6.595 1.00 0.00 C ATOM 612 CG GLN A 41 0.084 6.985 -7.138 1.00 0.00 C ATOM 613 CD GLN A 41 0.322 8.476 -6.891 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.465 9.352 -7.452 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 1.237 8.847 -6.183 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.729 5.259 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.454 6.772 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.445 5.509 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.079 7.083 -7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.863 6.398 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.142 6.770 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.852 8.162 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.390 9.843 -6.027 1.00 0.00 H new ATOM 624 N LYS A 42 -3.112 8.645 -5.018 1.00 0.00 N ATOM 625 CA LYS A 42 -3.622 10.035 -4.878 1.00 0.00 C ATOM 626 C LYS A 42 -3.640 10.364 -3.376 1.00 0.00 C ATOM 627 O LYS A 42 -2.756 11.019 -2.860 1.00 0.00 O ATOM 628 CB LYS A 42 -5.050 10.187 -5.479 1.00 0.00 C ATOM 629 CG LYS A 42 -5.298 9.227 -6.678 1.00 0.00 C ATOM 630 CD LYS A 42 -5.043 9.933 -8.025 1.00 0.00 C ATOM 631 CE LYS A 42 -3.540 10.167 -8.245 1.00 0.00 C ATOM 632 NZ LYS A 42 -3.140 11.462 -7.628 1.00 0.00 N ATOM 0 H LYS A 42 -3.829 7.931 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.976 10.722 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.790 9.992 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.195 11.217 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.646 8.358 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.324 8.860 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.444 9.329 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.571 10.887 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.967 9.351 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.315 10.176 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.947 12.158 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.910 11.810 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.283 11.323 -7.055 1.00 0.00 H new ATOM 646 N ALA A 43 -4.633 9.887 -2.668 1.00 0.00 N ATOM 647 CA ALA A 43 -4.709 10.134 -1.201 1.00 0.00 C ATOM 648 C ALA A 43 -3.901 9.045 -0.486 1.00 0.00 C ATOM 649 O ALA A 43 -4.298 7.899 -0.441 1.00 0.00 O ATOM 650 CB ALA A 43 -6.174 10.080 -0.757 1.00 0.00 C ATOM 0 H ALA A 43 -5.399 9.333 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.302 11.115 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.236 10.260 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.743 10.844 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.587 9.097 -0.984 1.00 0.00 H new ATOM 656 N THR A 44 -2.762 9.394 0.053 1.00 0.00 N ATOM 657 CA THR A 44 -1.897 8.396 0.749 1.00 0.00 C ATOM 658 C THR A 44 -1.944 8.676 2.259 1.00 0.00 C ATOM 659 O THR A 44 -2.270 9.773 2.664 1.00 0.00 O ATOM 660 CB THR A 44 -0.482 8.579 0.192 1.00 0.00 C ATOM 661 OG1 THR A 44 -0.099 9.937 0.328 1.00 0.00 O ATOM 662 CG2 THR A 44 -0.483 8.233 -1.293 1.00 0.00 C ATOM 0 H THR A 44 -2.389 10.343 0.040 1.00 0.00 H new ATOM 0 HA THR A 44 -2.229 7.370 0.587 1.00 0.00 H new ATOM 0 HB THR A 44 0.209 7.934 0.735 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.874 9.994 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.521 8.361 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.798 7.198 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.173 8.892 -1.820 1.00 0.00 H new ATOM 670 N PRO A 45 -1.648 7.706 3.104 1.00 0.00 N ATOM 671 CA PRO A 45 -1.697 7.915 4.575 1.00 0.00 C ATOM 672 C PRO A 45 -1.163 9.290 4.996 1.00 0.00 C ATOM 673 O PRO A 45 -1.752 9.943 5.835 1.00 0.00 O ATOM 674 CB PRO A 45 -0.870 6.750 5.141 1.00 0.00 C ATOM 675 CG PRO A 45 -1.070 5.647 4.149 1.00 0.00 C ATOM 676 CD PRO A 45 -1.235 6.323 2.775 1.00 0.00 C ATOM 0 HA PRO A 45 -2.717 7.918 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.183 7.016 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.215 6.461 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.218 4.967 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.950 5.055 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.304 6.309 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.985 5.816 2.168 1.00 0.00 H new ATOM 684 N PRO A 46 -0.083 9.756 4.418 1.00 0.00 N ATOM 685 CA PRO A 46 0.491 11.077 4.722 1.00 0.00 C ATOM 686 C PRO A 46 0.205 12.070 3.592 1.00 0.00 C ATOM 687 O PRO A 46 0.656 13.196 3.613 1.00 0.00 O ATOM 688 CB PRO A 46 1.982 10.743 4.793 1.00 0.00 C ATOM 689 CG PRO A 46 2.170 9.605 3.806 1.00 0.00 C ATOM 690 CD PRO A 46 0.760 9.117 3.409 1.00 0.00 C ATOM 0 HA PRO A 46 0.092 11.545 5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.594 11.604 4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.274 10.446 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.723 9.942 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.746 8.796 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.491 9.426 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.681 8.030 3.441 1.00 0.00 H new ATOM 698 N LYS A 47 -0.521 11.635 2.594 1.00 0.00 N ATOM 699 CA LYS A 47 -0.825 12.519 1.439 1.00 0.00 C ATOM 700 C LYS A 47 0.481 12.801 0.700 1.00 0.00 C ATOM 701 O LYS A 47 1.460 13.201 1.297 1.00 0.00 O ATOM 702 CB LYS A 47 -1.457 13.851 1.897 1.00 0.00 C ATOM 703 CG LYS A 47 -2.527 13.614 3.010 1.00 0.00 C ATOM 704 CD LYS A 47 -2.234 14.471 4.270 1.00 0.00 C ATOM 705 CE LYS A 47 -2.883 15.854 4.133 1.00 0.00 C ATOM 706 NZ LYS A 47 -2.278 16.580 2.983 1.00 0.00 N ATOM 0 H LYS A 47 -0.917 10.697 2.533 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.543 12.020 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.679 14.516 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.919 14.350 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.516 13.859 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.544 12.559 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.617 13.968 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.158 14.578 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.958 15.749 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.742 16.425 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.240 17.597 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.315 16.225 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.856 16.426 2.132 1.00 0.00 H new ATOM 720 N LEU A 48 0.516 12.616 -0.590 1.00 0.00 N ATOM 721 CA LEU A 48 1.780 12.905 -1.315 1.00 0.00 C ATOM 722 C LEU A 48 1.997 14.419 -1.227 1.00 0.00 C ATOM 723 O LEU A 48 2.971 14.963 -1.694 1.00 0.00 O ATOM 724 CB LEU A 48 1.644 12.407 -2.776 1.00 0.00 C ATOM 725 CG LEU A 48 2.899 12.703 -3.643 1.00 0.00 C ATOM 726 CD1 LEU A 48 2.913 14.168 -4.161 1.00 0.00 C ATOM 727 CD2 LEU A 48 4.186 12.403 -2.854 1.00 0.00 C ATOM 0 H LEU A 48 -0.260 12.284 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 48 2.642 12.394 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.459 11.333 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.774 12.878 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 48 2.855 12.046 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.807 14.333 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.027 14.347 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.915 14.854 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.054 12.617 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.219 13.027 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.198 11.353 -2.563 1.00 0.00 H new ATOM 739 N GLU A 49 1.095 15.099 -0.560 1.00 0.00 N ATOM 740 CA GLU A 49 1.237 16.571 -0.373 1.00 0.00 C ATOM 741 C GLU A 49 0.771 16.945 1.034 1.00 0.00 C ATOM 742 O GLU A 49 -0.359 17.341 1.247 1.00 0.00 O ATOM 743 CB GLU A 49 0.379 17.323 -1.386 1.00 0.00 C ATOM 744 CG GLU A 49 0.844 17.015 -2.821 1.00 0.00 C ATOM 745 CD GLU A 49 0.510 18.193 -3.746 1.00 0.00 C ATOM 746 OE1 GLU A 49 1.078 19.255 -3.548 1.00 0.00 O ATOM 747 OE2 GLU A 49 -0.305 18.011 -4.634 1.00 0.00 O ATOM 0 H GLU A 49 0.262 14.691 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 49 2.283 16.843 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.667 17.039 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.441 18.395 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.918 16.827 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.358 16.109 -3.183 1.00 0.00 H new ATOM 754 N ASP A 50 1.641 16.832 1.993 1.00 0.00 N ATOM 755 CA ASP A 50 1.276 17.189 3.399 1.00 0.00 C ATOM 756 C ASP A 50 1.694 18.637 3.652 1.00 0.00 C ATOM 757 O ASP A 50 1.452 19.201 4.699 1.00 0.00 O ATOM 758 CB ASP A 50 2.021 16.269 4.369 1.00 0.00 C ATOM 759 CG ASP A 50 1.503 16.499 5.790 1.00 0.00 C ATOM 760 OD1 ASP A 50 1.990 17.410 6.438 1.00 0.00 O ATOM 761 OD2 ASP A 50 0.627 15.758 6.206 1.00 0.00 O ATOM 0 H ASP A 50 2.599 16.505 1.868 1.00 0.00 H new ATOM 0 HA ASP A 50 0.203 17.074 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.877 15.227 4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.092 16.467 4.324 1.00 0.00 H new ATOM 766 N LYS A 51 2.326 19.233 2.680 1.00 0.00 N ATOM 767 CA LYS A 51 2.786 20.642 2.806 1.00 0.00 C ATOM 768 C LYS A 51 3.172 21.126 1.409 1.00 0.00 C ATOM 769 O LYS A 51 2.430 21.833 0.753 1.00 0.00 O ATOM 770 CB LYS A 51 3.996 20.709 3.754 1.00 0.00 C ATOM 771 CG LYS A 51 5.053 19.620 3.399 1.00 0.00 C ATOM 772 CD LYS A 51 5.432 18.811 4.652 1.00 0.00 C ATOM 773 CE LYS A 51 6.420 17.698 4.282 1.00 0.00 C ATOM 774 NZ LYS A 51 7.198 17.305 5.493 1.00 0.00 N ATOM 0 H LYS A 51 2.547 18.793 1.787 1.00 0.00 H new ATOM 0 HA LYS A 51 2.000 21.274 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.454 21.696 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.663 20.574 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.654 18.953 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.942 20.090 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.877 19.469 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.537 18.379 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.883 16.836 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.095 18.041 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.869 16.550 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.721 18.129 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.547 16.962 6.228 1.00 0.00 H new ATOM 788 N SER A 52 4.313 20.711 0.930 1.00 0.00 N ATOM 789 CA SER A 52 4.740 21.090 -0.432 1.00 0.00 C ATOM 790 C SER A 52 6.005 20.299 -0.805 1.00 0.00 C ATOM 791 O SER A 52 7.036 20.875 -1.090 1.00 0.00 O ATOM 792 CB SER A 52 5.025 22.591 -0.476 1.00 0.00 C ATOM 793 OG SER A 52 3.797 23.296 -0.606 1.00 0.00 O ATOM 0 H SER A 52 4.970 20.118 1.437 1.00 0.00 H new ATOM 0 HA SER A 52 3.950 20.858 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.542 22.902 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.683 22.824 -1.313 1.00 0.00 H new ATOM 0 HG SER A 52 3.049 22.672 -0.500 1.00 0.00 H new ATOM 799 N PRO A 53 5.924 18.981 -0.819 1.00 0.00 N ATOM 800 CA PRO A 53 7.086 18.111 -1.179 1.00 0.00 C ATOM 801 C PRO A 53 7.570 18.406 -2.600 1.00 0.00 C ATOM 802 O PRO A 53 8.606 19.009 -2.808 1.00 0.00 O ATOM 803 CB PRO A 53 6.523 16.674 -1.072 1.00 0.00 C ATOM 804 CG PRO A 53 5.331 16.798 -0.183 1.00 0.00 C ATOM 805 CD PRO A 53 4.735 18.166 -0.498 1.00 0.00 C ATOM 0 HA PRO A 53 7.948 18.272 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.247 16.283 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.261 15.990 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.612 16.002 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.614 16.725 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.039 18.120 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.185 18.572 0.351 1.00 0.00 H new ATOM 813 N ASP A 54 6.815 17.985 -3.576 1.00 0.00 N ATOM 814 CA ASP A 54 7.189 18.231 -4.994 1.00 0.00 C ATOM 815 C ASP A 54 5.910 18.526 -5.791 1.00 0.00 C ATOM 816 O ASP A 54 5.583 19.672 -6.018 1.00 0.00 O ATOM 817 CB ASP A 54 7.907 16.990 -5.547 1.00 0.00 C ATOM 818 CG ASP A 54 8.950 16.520 -4.531 1.00 0.00 C ATOM 819 OD1 ASP A 54 9.957 17.194 -4.392 1.00 0.00 O ATOM 820 OD2 ASP A 54 8.723 15.496 -3.911 1.00 0.00 O ATOM 0 H ASP A 54 5.942 17.473 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 54 7.863 19.084 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.187 16.195 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.387 17.225 -6.497 1.00 0.00 H new ATOM 825 N SER A 55 5.205 17.486 -6.195 1.00 0.00 N ATOM 826 CA SER A 55 3.927 17.584 -6.983 1.00 0.00 C ATOM 827 C SER A 55 4.183 17.102 -8.425 1.00 0.00 C ATOM 828 O SER A 55 3.442 16.271 -8.913 1.00 0.00 O ATOM 829 CB SER A 55 3.244 18.976 -6.943 1.00 0.00 C ATOM 830 OG SER A 55 3.707 19.801 -7.997 1.00 0.00 O ATOM 0 H SER A 55 5.482 16.524 -5.998 1.00 0.00 H new ATOM 0 HA SER A 55 3.203 16.930 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.163 18.857 -7.018 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.446 19.456 -5.986 1.00 0.00 H new ATOM 0 HG SER A 55 3.260 20.672 -7.951 1.00 0.00 H new ATOM 836 N PRO A 56 5.240 17.529 -9.104 1.00 0.00 N ATOM 837 CA PRO A 56 5.533 17.001 -10.465 1.00 0.00 C ATOM 838 C PRO A 56 5.894 15.514 -10.361 1.00 0.00 C ATOM 839 O PRO A 56 5.537 14.708 -11.198 1.00 0.00 O ATOM 840 CB PRO A 56 6.743 17.829 -10.958 1.00 0.00 C ATOM 841 CG PRO A 56 6.817 19.002 -10.038 1.00 0.00 C ATOM 842 CD PRO A 56 6.247 18.527 -8.706 1.00 0.00 C ATOM 0 HA PRO A 56 4.688 17.083 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.661 17.243 -10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.607 18.147 -11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.846 19.343 -9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.244 19.842 -10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.018 18.089 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.800 19.347 -8.144 1.00 0.00 H new ATOM 850 N GLU A 57 6.597 15.156 -9.313 1.00 0.00 N ATOM 851 CA GLU A 57 6.985 13.732 -9.112 1.00 0.00 C ATOM 852 C GLU A 57 5.713 12.900 -8.950 1.00 0.00 C ATOM 853 O GLU A 57 5.516 11.941 -9.653 1.00 0.00 O ATOM 854 CB GLU A 57 7.864 13.604 -7.852 1.00 0.00 C ATOM 855 CG GLU A 57 9.337 13.816 -8.217 1.00 0.00 C ATOM 856 CD GLU A 57 9.498 15.156 -8.936 1.00 0.00 C ATOM 857 OE1 GLU A 57 8.998 15.276 -10.041 1.00 0.00 O ATOM 858 OE2 GLU A 57 10.117 16.041 -8.366 1.00 0.00 O ATOM 0 H GLU A 57 6.918 15.796 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 57 7.554 13.374 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.556 14.338 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.730 12.620 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.952 13.798 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.684 13.004 -8.856 1.00 0.00 H new ATOM 865 N MET A 58 4.855 13.284 -8.031 1.00 0.00 N ATOM 866 CA MET A 58 3.555 12.567 -7.788 1.00 0.00 C ATOM 867 C MET A 58 3.552 11.153 -8.395 1.00 0.00 C ATOM 868 O MET A 58 3.776 10.183 -7.707 1.00 0.00 O ATOM 869 CB MET A 58 2.426 13.426 -8.365 1.00 0.00 C ATOM 870 CG MET A 58 1.088 12.666 -8.358 1.00 0.00 C ATOM 871 SD MET A 58 -0.205 13.729 -9.056 1.00 0.00 S ATOM 872 CE MET A 58 -0.251 12.999 -10.715 1.00 0.00 C ATOM 0 H MET A 58 5.005 14.088 -7.421 1.00 0.00 H new ATOM 0 HA MET A 58 3.411 12.431 -6.716 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.329 14.343 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.674 13.720 -9.385 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.174 11.748 -8.940 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.827 12.375 -7.341 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.996 13.516 -11.320 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.728 13.098 -11.183 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.513 11.944 -10.641 1.00 0.00 H new ATOM 882 N LYS A 59 3.305 11.017 -9.676 1.00 0.00 N ATOM 883 CA LYS A 59 3.303 9.646 -10.269 1.00 0.00 C ATOM 884 C LYS A 59 4.615 8.954 -9.882 1.00 0.00 C ATOM 885 O LYS A 59 4.637 7.796 -9.536 1.00 0.00 O ATOM 886 CB LYS A 59 3.153 9.714 -11.804 1.00 0.00 C ATOM 887 CG LYS A 59 2.344 8.494 -12.322 1.00 0.00 C ATOM 888 CD LYS A 59 0.855 8.844 -12.397 1.00 0.00 C ATOM 889 CE LYS A 59 0.079 7.640 -12.927 1.00 0.00 C ATOM 890 NZ LYS A 59 -1.377 7.959 -12.954 1.00 0.00 N ATOM 0 H LYS A 59 3.109 11.780 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 59 2.456 9.077 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.650 10.639 -12.086 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.137 9.731 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.706 8.199 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.492 7.641 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.485 9.124 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.704 9.704 -13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.424 7.384 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.260 6.771 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.905 7.139 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.701 8.183 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.542 8.777 -13.574 1.00 0.00 H new ATOM 904 N ASP A 60 5.707 9.669 -9.882 1.00 0.00 N ATOM 905 CA ASP A 60 6.990 9.051 -9.455 1.00 0.00 C ATOM 906 C ASP A 60 6.723 8.471 -8.063 1.00 0.00 C ATOM 907 O ASP A 60 7.178 7.393 -7.705 1.00 0.00 O ATOM 908 CB ASP A 60 8.093 10.141 -9.400 1.00 0.00 C ATOM 909 CG ASP A 60 9.382 9.642 -10.065 1.00 0.00 C ATOM 910 OD1 ASP A 60 9.891 8.619 -9.636 1.00 0.00 O ATOM 911 OD2 ASP A 60 9.837 10.293 -10.991 1.00 0.00 O ATOM 0 H ASP A 60 5.764 10.649 -10.158 1.00 0.00 H new ATOM 0 HA ASP A 60 7.332 8.277 -10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.745 11.044 -9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.294 10.410 -8.363 1.00 0.00 H new ATOM 916 N PHE A 61 5.921 9.166 -7.297 1.00 0.00 N ATOM 917 CA PHE A 61 5.560 8.634 -5.956 1.00 0.00 C ATOM 918 C PHE A 61 4.978 7.237 -6.180 1.00 0.00 C ATOM 919 O PHE A 61 5.192 6.330 -5.401 1.00 0.00 O ATOM 920 CB PHE A 61 4.538 9.569 -5.274 1.00 0.00 C ATOM 921 CG PHE A 61 4.622 9.446 -3.764 1.00 0.00 C ATOM 922 CD1 PHE A 61 5.827 9.726 -3.096 1.00 0.00 C ATOM 923 CD2 PHE A 61 3.485 9.080 -3.024 1.00 0.00 C ATOM 924 CE1 PHE A 61 5.894 9.632 -1.702 1.00 0.00 C ATOM 925 CE2 PHE A 61 3.560 8.993 -1.626 1.00 0.00 C ATOM 926 CZ PHE A 61 4.762 9.265 -0.969 1.00 0.00 C ATOM 0 H PHE A 61 5.507 10.066 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 61 6.427 8.580 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.727 10.601 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.531 9.321 -5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.702 10.014 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.555 8.866 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.822 9.843 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.686 8.715 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.817 9.192 0.107 1.00 0.00 H new ATOM 936 N ARG A 62 4.292 7.047 -7.284 1.00 0.00 N ATOM 937 CA ARG A 62 3.755 5.696 -7.601 1.00 0.00 C ATOM 938 C ARG A 62 4.928 4.730 -7.618 1.00 0.00 C ATOM 939 O ARG A 62 4.807 3.589 -7.249 1.00 0.00 O ATOM 940 CB ARG A 62 3.080 5.686 -8.982 1.00 0.00 C ATOM 941 CG ARG A 62 2.172 4.433 -9.121 1.00 0.00 C ATOM 942 CD ARG A 62 2.291 3.830 -10.527 1.00 0.00 C ATOM 943 NE ARG A 62 1.598 2.511 -10.557 1.00 0.00 N ATOM 944 CZ ARG A 62 1.857 1.667 -11.517 1.00 0.00 C ATOM 945 NH1 ARG A 62 2.705 1.991 -12.456 1.00 0.00 N ATOM 946 NH2 ARG A 62 1.272 0.501 -11.541 1.00 0.00 N ATOM 0 H ARG A 62 4.085 7.770 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 62 3.013 5.412 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.487 6.591 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.837 5.685 -9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.454 3.689 -8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.135 4.705 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.849 4.503 -11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.340 3.709 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 62 0.924 2.269 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.163 2.902 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.909 1.333 -13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.610 0.247 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.477 -0.157 -12.293 1.00 0.00 H new ATOM 960 N HIS A 63 6.076 5.186 -8.039 1.00 0.00 N ATOM 961 CA HIS A 63 7.255 4.281 -8.062 1.00 0.00 C ATOM 962 C HIS A 63 7.407 3.675 -6.665 1.00 0.00 C ATOM 963 O HIS A 63 7.760 2.524 -6.506 1.00 0.00 O ATOM 964 CB HIS A 63 8.512 5.083 -8.445 1.00 0.00 C ATOM 965 CG HIS A 63 9.531 4.171 -9.081 1.00 0.00 C ATOM 966 ND1 HIS A 63 9.412 3.735 -10.393 1.00 0.00 N ATOM 967 CD2 HIS A 63 10.684 3.602 -8.599 1.00 0.00 C ATOM 968 CE1 HIS A 63 10.465 2.939 -10.652 1.00 0.00 C ATOM 969 NE2 HIS A 63 11.272 2.824 -9.593 1.00 0.00 N ATOM 0 H HIS A 63 6.246 6.137 -8.365 1.00 0.00 H new ATOM 0 HA HIS A 63 7.122 3.487 -8.797 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.247 5.883 -9.136 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.937 5.555 -7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.075 3.737 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.637 2.452 -11.600 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.134 2.282 -9.527 1.00 0.00 H new ATOM 977 N GLY A 64 7.117 4.449 -5.651 1.00 0.00 N ATOM 978 CA GLY A 64 7.217 3.923 -4.253 1.00 0.00 C ATOM 979 C GLY A 64 6.080 2.915 -3.999 1.00 0.00 C ATOM 980 O GLY A 64 6.291 1.838 -3.472 1.00 0.00 O ATOM 0 H GLY A 64 6.816 5.420 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.184 3.442 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.155 4.744 -3.539 1.00 0.00 H new ATOM 984 N PHE A 65 4.880 3.262 -4.384 1.00 0.00 N ATOM 985 CA PHE A 65 3.712 2.344 -4.188 1.00 0.00 C ATOM 986 C PHE A 65 3.816 1.199 -5.190 1.00 0.00 C ATOM 987 O PHE A 65 3.525 0.059 -4.896 1.00 0.00 O ATOM 988 CB PHE A 65 2.425 3.119 -4.506 1.00 0.00 C ATOM 989 CG PHE A 65 1.822 3.738 -3.275 1.00 0.00 C ATOM 990 CD1 PHE A 65 2.209 5.017 -2.878 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.846 3.044 -2.561 1.00 0.00 C ATOM 992 CE1 PHE A 65 1.611 5.608 -1.765 1.00 0.00 C ATOM 993 CE2 PHE A 65 0.251 3.631 -1.439 1.00 0.00 C ATOM 994 CZ PHE A 65 0.630 4.920 -1.045 1.00 0.00 C ATOM 0 H PHE A 65 4.654 4.151 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 65 3.702 1.967 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.642 3.900 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.701 2.446 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.970 5.549 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.549 2.054 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.907 6.600 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.498 3.092 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.165 5.382 -0.186 1.00 0.00 H new ATOM 1004 N ASP A 66 4.193 1.518 -6.387 1.00 0.00 N ATOM 1005 CA ASP A 66 4.277 0.484 -7.441 1.00 0.00 C ATOM 1006 C ASP A 66 5.083 -0.703 -6.911 1.00 0.00 C ATOM 1007 O ASP A 66 4.709 -1.845 -7.085 1.00 0.00 O ATOM 1008 CB ASP A 66 4.972 1.065 -8.675 1.00 0.00 C ATOM 1009 CG ASP A 66 4.883 0.061 -9.826 1.00 0.00 C ATOM 1010 OD1 ASP A 66 4.059 -0.835 -9.740 1.00 0.00 O ATOM 1011 OD2 ASP A 66 5.639 0.205 -10.772 1.00 0.00 O ATOM 0 H ASP A 66 4.449 2.460 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 66 3.275 0.156 -7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.503 2.006 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.015 1.285 -8.449 1.00 0.00 H new ATOM 1016 N ILE A 67 6.176 -0.442 -6.251 1.00 0.00 N ATOM 1017 CA ILE A 67 6.991 -1.550 -5.692 1.00 0.00 C ATOM 1018 C ILE A 67 6.170 -2.311 -4.644 1.00 0.00 C ATOM 1019 O ILE A 67 5.868 -3.481 -4.805 1.00 0.00 O ATOM 1020 CB ILE A 67 8.240 -0.962 -5.034 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.046 -0.136 -6.077 1.00 0.00 C ATOM 1022 CG2 ILE A 67 9.088 -2.101 -4.452 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.119 -0.997 -6.765 1.00 0.00 C ATOM 0 H ILE A 67 6.539 0.495 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 67 7.280 -2.236 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 67 7.954 -0.292 -4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.366 0.269 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.519 0.713 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.980 -1.687 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.505 -2.645 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.382 -2.781 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.664 -0.390 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.813 -1.381 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.642 -1.831 -7.279 1.00 0.00 H new ATOM 1035 N LEU A 68 5.814 -1.665 -3.561 1.00 0.00 N ATOM 1036 CA LEU A 68 5.028 -2.371 -2.507 1.00 0.00 C ATOM 1037 C LEU A 68 3.740 -2.949 -3.115 1.00 0.00 C ATOM 1038 O LEU A 68 3.350 -4.058 -2.809 1.00 0.00 O ATOM 1039 CB LEU A 68 4.756 -1.413 -1.313 1.00 0.00 C ATOM 1040 CG LEU A 68 3.539 -0.481 -1.546 1.00 0.00 C ATOM 1041 CD1 LEU A 68 2.244 -1.117 -1.005 1.00 0.00 C ATOM 1042 CD2 LEU A 68 3.769 0.863 -0.809 1.00 0.00 C ATOM 0 H LEU A 68 6.032 -0.688 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 68 5.601 -3.211 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.587 -2.003 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.643 -0.805 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 68 3.437 -0.320 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.406 -0.442 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.062 -2.063 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.346 -1.296 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.914 1.519 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.885 0.677 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.670 1.340 -1.194 1.00 0.00 H new ATOM 1054 N VAL A 69 3.082 -2.221 -3.979 1.00 0.00 N ATOM 1055 CA VAL A 69 1.835 -2.741 -4.607 1.00 0.00 C ATOM 1056 C VAL A 69 2.149 -3.942 -5.521 1.00 0.00 C ATOM 1057 O VAL A 69 1.281 -4.731 -5.838 1.00 0.00 O ATOM 1058 CB VAL A 69 1.198 -1.614 -5.432 1.00 0.00 C ATOM 1059 CG1 VAL A 69 0.040 -2.159 -6.264 1.00 0.00 C ATOM 1060 CG2 VAL A 69 0.668 -0.530 -4.490 1.00 0.00 C ATOM 0 H VAL A 69 3.357 -1.285 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 69 1.148 -3.075 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 69 1.953 -1.195 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.403 -1.350 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.409 -2.931 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.714 -2.586 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.215 0.271 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.080 -0.960 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.491 -0.127 -3.899 1.00 0.00 H new ATOM 1070 N GLY A 70 3.365 -4.059 -5.980 1.00 0.00 N ATOM 1071 CA GLY A 70 3.715 -5.175 -6.914 1.00 0.00 C ATOM 1072 C GLY A 70 3.732 -6.532 -6.210 1.00 0.00 C ATOM 1073 O GLY A 70 3.179 -7.493 -6.706 1.00 0.00 O ATOM 0 H GLY A 70 4.135 -3.431 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.996 -5.201 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.693 -4.984 -7.355 1.00 0.00 H new ATOM 1077 N GLN A 71 4.373 -6.645 -5.084 1.00 0.00 N ATOM 1078 CA GLN A 71 4.416 -7.976 -4.412 1.00 0.00 C ATOM 1079 C GLN A 71 3.059 -8.300 -3.791 1.00 0.00 C ATOM 1080 O GLN A 71 2.691 -9.450 -3.658 1.00 0.00 O ATOM 1081 CB GLN A 71 5.503 -7.982 -3.338 1.00 0.00 C ATOM 1082 CG GLN A 71 5.471 -6.663 -2.564 1.00 0.00 C ATOM 1083 CD GLN A 71 6.350 -6.786 -1.320 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.415 -7.928 -0.692 1.00 0.00 O flip ATOM 1085 NE2 GLN A 71 6.988 -5.834 -0.912 1.00 0.00 N flip ATOM 0 H GLN A 71 4.862 -5.890 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 71 4.648 -8.739 -5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.349 -8.819 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.481 -8.121 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.827 -5.849 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.448 -6.421 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.939 -4.940 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.572 -5.930 -0.081 1.00 0.00 H new ATOM 1094 N ILE A 72 2.308 -7.308 -3.418 1.00 0.00 N ATOM 1095 CA ILE A 72 0.981 -7.584 -2.822 1.00 0.00 C ATOM 1096 C ILE A 72 0.140 -8.360 -3.829 1.00 0.00 C ATOM 1097 O ILE A 72 -0.324 -9.451 -3.560 1.00 0.00 O ATOM 1098 CB ILE A 72 0.327 -6.244 -2.516 1.00 0.00 C ATOM 1099 CG1 ILE A 72 1.164 -5.516 -1.438 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -1.119 -6.463 -2.055 1.00 0.00 C ATOM 1101 CD1 ILE A 72 0.726 -5.930 -0.034 1.00 0.00 C ATOM 0 H ILE A 72 2.555 -6.322 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 72 1.071 -8.174 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 72 0.296 -5.623 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.221 -5.746 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.055 -4.438 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.581 -5.500 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.680 -6.965 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.125 -7.080 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.330 -5.404 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.324 -5.677 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.860 -7.005 0.087 1.00 0.00 H new ATOM 1113 N ASP A 73 -0.043 -7.818 -4.996 1.00 0.00 N ATOM 1114 CA ASP A 73 -0.830 -8.537 -6.029 1.00 0.00 C ATOM 1115 C ASP A 73 -0.164 -9.883 -6.291 1.00 0.00 C ATOM 1116 O ASP A 73 -0.808 -10.855 -6.591 1.00 0.00 O ATOM 1117 CB ASP A 73 -0.856 -7.711 -7.317 1.00 0.00 C ATOM 1118 CG ASP A 73 0.546 -7.649 -7.929 1.00 0.00 C ATOM 1119 OD1 ASP A 73 1.068 -8.696 -8.274 1.00 0.00 O ATOM 1120 OD2 ASP A 73 1.071 -6.553 -8.046 1.00 0.00 O ATOM 0 H ASP A 73 0.319 -6.907 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.854 -8.689 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.553 -8.154 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.214 -6.703 -7.105 1.00 0.00 H new ATOM 1125 N ASP A 74 1.127 -9.968 -6.173 1.00 0.00 N ATOM 1126 CA ASP A 74 1.766 -11.280 -6.417 1.00 0.00 C ATOM 1127 C ASP A 74 1.258 -12.254 -5.365 1.00 0.00 C ATOM 1128 O ASP A 74 1.247 -13.446 -5.568 1.00 0.00 O ATOM 1129 CB ASP A 74 3.284 -11.136 -6.352 1.00 0.00 C ATOM 1130 CG ASP A 74 3.947 -12.466 -6.712 1.00 0.00 C ATOM 1131 OD1 ASP A 74 3.964 -13.344 -5.866 1.00 0.00 O ATOM 1132 OD2 ASP A 74 4.429 -12.581 -7.827 1.00 0.00 O ATOM 0 H ASP A 74 1.754 -9.203 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 74 1.514 -11.656 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.614 -10.357 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.587 -10.828 -5.351 1.00 0.00 H new ATOM 1137 N ALA A 75 0.781 -11.763 -4.257 1.00 0.00 N ATOM 1138 CA ALA A 75 0.220 -12.697 -3.252 1.00 0.00 C ATOM 1139 C ALA A 75 -1.117 -13.173 -3.818 1.00 0.00 C ATOM 1140 O ALA A 75 -1.522 -14.305 -3.646 1.00 0.00 O ATOM 1141 CB ALA A 75 0.026 -11.987 -1.906 1.00 0.00 C ATOM 0 H ALA A 75 0.756 -10.774 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 75 0.890 -13.537 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.387 -12.688 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.987 -11.618 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.660 -11.150 -2.032 1.00 0.00 H new ATOM 1147 N LEU A 76 -1.777 -12.304 -4.543 1.00 0.00 N ATOM 1148 CA LEU A 76 -3.064 -12.674 -5.191 1.00 0.00 C ATOM 1149 C LEU A 76 -2.763 -13.871 -6.075 1.00 0.00 C ATOM 1150 O LEU A 76 -3.549 -14.779 -6.232 1.00 0.00 O ATOM 1151 CB LEU A 76 -3.532 -11.483 -6.055 1.00 0.00 C ATOM 1152 CG LEU A 76 -4.992 -11.668 -6.536 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -5.611 -10.281 -6.807 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -5.059 -12.529 -7.833 1.00 0.00 C ATOM 0 H LEU A 76 -1.472 -11.345 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.843 -12.911 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.452 -10.561 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.874 -11.378 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.549 -12.188 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.640 -10.402 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.598 -9.691 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.033 -9.769 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.098 -12.639 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.494 -12.038 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.632 -13.513 -7.639 1.00 0.00 H new ATOM 1166 N LYS A 77 -1.599 -13.853 -6.644 1.00 0.00 N ATOM 1167 CA LYS A 77 -1.150 -14.944 -7.531 1.00 0.00 C ATOM 1168 C LYS A 77 -1.011 -16.243 -6.734 1.00 0.00 C ATOM 1169 O LYS A 77 -1.462 -17.300 -7.138 1.00 0.00 O ATOM 1170 CB LYS A 77 0.210 -14.509 -8.096 1.00 0.00 C ATOM 1171 CG LYS A 77 0.481 -15.161 -9.446 1.00 0.00 C ATOM 1172 CD LYS A 77 1.870 -14.703 -9.968 1.00 0.00 C ATOM 1173 CE LYS A 77 2.931 -15.769 -9.653 1.00 0.00 C ATOM 1174 NZ LYS A 77 2.875 -16.844 -10.683 1.00 0.00 N ATOM 0 H LYS A 77 -0.920 -13.101 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.865 -15.129 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.232 -13.424 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.000 -14.777 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.456 -16.246 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.297 -14.886 -10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.824 -14.531 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.147 -13.756 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.923 -15.317 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.757 -16.190 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.593 -17.566 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.932 -17.282 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.062 -16.436 -11.621 1.00 0.00 H new ATOM 1188 N LEU A 78 -0.390 -16.157 -5.604 1.00 0.00 N ATOM 1189 CA LEU A 78 -0.189 -17.339 -4.749 1.00 0.00 C ATOM 1190 C LEU A 78 -1.550 -17.880 -4.284 1.00 0.00 C ATOM 1191 O LEU A 78 -1.880 -19.021 -4.505 1.00 0.00 O ATOM 1192 CB LEU A 78 0.640 -16.859 -3.560 1.00 0.00 C ATOM 1193 CG LEU A 78 2.121 -17.198 -3.761 1.00 0.00 C ATOM 1194 CD1 LEU A 78 2.661 -16.452 -4.980 1.00 0.00 C ATOM 1195 CD2 LEU A 78 2.898 -16.774 -2.521 1.00 0.00 C ATOM 0 H LEU A 78 -0.003 -15.291 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 78 0.317 -18.147 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.521 -15.782 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.276 -17.325 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 78 2.233 -18.270 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.714 -16.696 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.100 -16.749 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.555 -15.378 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.954 -17.011 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.784 -15.701 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.514 -17.306 -1.651 1.00 0.00 H new ATOM 1207 N ALA A 79 -2.336 -17.065 -3.639 1.00 0.00 N ATOM 1208 CA ALA A 79 -3.666 -17.532 -3.154 1.00 0.00 C ATOM 1209 C ALA A 79 -4.382 -18.308 -4.263 1.00 0.00 C ATOM 1210 O ALA A 79 -5.083 -19.265 -4.003 1.00 0.00 O ATOM 1211 CB ALA A 79 -4.502 -16.321 -2.752 1.00 0.00 C ATOM 0 H ALA A 79 -2.115 -16.092 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.531 -18.189 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.477 -16.654 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.993 -15.775 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.634 -15.668 -3.614 1.00 0.00 H new ATOM 1217 N ASN A 80 -4.196 -17.928 -5.498 1.00 0.00 N ATOM 1218 CA ASN A 80 -4.855 -18.686 -6.600 1.00 0.00 C ATOM 1219 C ASN A 80 -4.247 -20.085 -6.625 1.00 0.00 C ATOM 1220 O ASN A 80 -4.879 -21.047 -7.012 1.00 0.00 O ATOM 1221 CB ASN A 80 -4.610 -17.993 -7.945 1.00 0.00 C ATOM 1222 CG ASN A 80 -4.945 -16.498 -7.848 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -5.520 -16.019 -6.777 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 -4.681 -15.752 -8.771 1.00 0.00 N flip ATOM 0 H ASN A 80 -3.624 -17.136 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.931 -18.733 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.569 -18.120 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.221 -18.459 -8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.232 -16.118 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.908 -14.760 -8.706 1.00 0.00 H new ATOM 1231 N GLU A 81 -3.018 -20.202 -6.195 1.00 0.00 N ATOM 1232 CA GLU A 81 -2.347 -21.535 -6.167 1.00 0.00 C ATOM 1233 C GLU A 81 -2.645 -22.231 -4.828 1.00 0.00 C ATOM 1234 O GLU A 81 -2.039 -23.228 -4.486 1.00 0.00 O ATOM 1235 CB GLU A 81 -0.835 -21.335 -6.332 1.00 0.00 C ATOM 1236 CG GLU A 81 -0.131 -22.690 -6.527 1.00 0.00 C ATOM 1237 CD GLU A 81 1.205 -22.479 -7.245 1.00 0.00 C ATOM 1238 OE1 GLU A 81 2.055 -21.804 -6.687 1.00 0.00 O ATOM 1239 OE2 GLU A 81 1.354 -22.997 -8.339 1.00 0.00 O ATOM 0 H GLU A 81 -2.447 -19.426 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.721 -22.158 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.639 -20.690 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.431 -20.831 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.036 -23.166 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.765 -23.360 -7.108 1.00 0.00 H new ATOM 1246 N GLY A 82 -3.603 -21.730 -4.086 1.00 0.00 N ATOM 1247 CA GLY A 82 -3.981 -22.375 -2.788 1.00 0.00 C ATOM 1248 C GLY A 82 -3.086 -21.904 -1.631 1.00 0.00 C ATOM 1249 O GLY A 82 -2.772 -22.671 -0.743 1.00 0.00 O ATOM 0 H GLY A 82 -4.142 -20.898 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.022 -22.146 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.907 -23.458 -2.886 1.00 0.00 H new ATOM 1253 N LYS A 83 -2.670 -20.661 -1.623 1.00 0.00 N ATOM 1254 CA LYS A 83 -1.796 -20.165 -0.510 1.00 0.00 C ATOM 1255 C LYS A 83 -2.612 -19.358 0.498 1.00 0.00 C ATOM 1256 O LYS A 83 -2.416 -18.170 0.662 1.00 0.00 O ATOM 1257 CB LYS A 83 -0.733 -19.249 -1.089 1.00 0.00 C ATOM 1258 CG LYS A 83 0.153 -19.970 -2.130 1.00 0.00 C ATOM 1259 CD LYS A 83 0.419 -21.446 -1.762 1.00 0.00 C ATOM 1260 CE LYS A 83 1.479 -22.053 -2.704 1.00 0.00 C ATOM 1261 NZ LYS A 83 2.821 -21.957 -2.065 1.00 0.00 N ATOM 0 H LYS A 83 -2.896 -19.968 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.348 -21.025 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.212 -18.388 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.106 -18.867 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.329 -19.924 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.104 -19.444 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.760 -21.514 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.507 -22.017 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.239 -23.095 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.479 -21.525 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.550 -21.869 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.852 -21.122 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.999 -22.813 -1.502 1.00 0.00 H new ATOM 1275 N VAL A 84 -3.504 -19.991 1.185 1.00 0.00 N ATOM 1276 CA VAL A 84 -4.318 -19.261 2.202 1.00 0.00 C ATOM 1277 C VAL A 84 -3.418 -18.757 3.340 1.00 0.00 C ATOM 1278 O VAL A 84 -3.554 -17.643 3.807 1.00 0.00 O ATOM 1279 CB VAL A 84 -5.377 -20.196 2.790 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -6.256 -19.415 3.773 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -6.244 -20.759 1.663 1.00 0.00 C ATOM 0 H VAL A 84 -3.713 -20.985 1.093 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.800 -18.414 1.714 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.888 -21.017 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.011 -20.079 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.637 -19.015 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.746 -18.594 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.998 -21.425 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.735 -19.940 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.618 -21.314 0.965 1.00 0.00 H new ATOM 1291 N LYS A 85 -2.517 -19.580 3.807 1.00 0.00 N ATOM 1292 CA LYS A 85 -1.625 -19.181 4.931 1.00 0.00 C ATOM 1293 C LYS A 85 -0.560 -18.191 4.438 1.00 0.00 C ATOM 1294 O LYS A 85 -0.338 -17.153 5.030 1.00 0.00 O ATOM 1295 CB LYS A 85 -0.967 -20.455 5.521 1.00 0.00 C ATOM 1296 CG LYS A 85 -1.126 -21.640 4.555 1.00 0.00 C ATOM 1297 CD LYS A 85 -0.310 -22.837 5.058 1.00 0.00 C ATOM 1298 CE LYS A 85 -0.907 -23.371 6.365 1.00 0.00 C ATOM 1299 NZ LYS A 85 -0.416 -24.759 6.597 1.00 0.00 N ATOM 0 H LYS A 85 -2.361 -20.523 3.452 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.205 -18.684 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.091 -20.271 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.424 -20.697 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.178 -21.915 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.792 -21.355 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.303 -23.624 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.726 -22.539 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.623 -22.728 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.996 -23.362 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.818 -25.126 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.708 -25.367 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.622 -24.753 6.664 1.00 0.00 H new ATOM 1313 N GLU A 86 0.102 -18.518 3.372 1.00 0.00 N ATOM 1314 CA GLU A 86 1.165 -17.632 2.831 1.00 0.00 C ATOM 1315 C GLU A 86 0.568 -16.264 2.462 1.00 0.00 C ATOM 1316 O GLU A 86 1.149 -15.233 2.735 1.00 0.00 O ATOM 1317 CB GLU A 86 1.761 -18.333 1.583 1.00 0.00 C ATOM 1318 CG GLU A 86 3.266 -18.593 1.751 1.00 0.00 C ATOM 1319 CD GLU A 86 3.908 -18.839 0.382 1.00 0.00 C ATOM 1320 OE1 GLU A 86 3.875 -19.972 -0.072 1.00 0.00 O ATOM 1321 OE2 GLU A 86 4.421 -17.891 -0.188 1.00 0.00 O ATOM 0 H GLU A 86 -0.049 -19.376 2.842 1.00 0.00 H new ATOM 0 HA GLU A 86 1.947 -17.460 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.244 -19.277 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.593 -17.714 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.739 -17.740 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.425 -19.456 2.397 1.00 0.00 H new ATOM 1328 N ALA A 87 -0.579 -16.243 1.844 1.00 0.00 N ATOM 1329 CA ALA A 87 -1.191 -14.937 1.464 1.00 0.00 C ATOM 1330 C ALA A 87 -1.572 -14.161 2.727 1.00 0.00 C ATOM 1331 O ALA A 87 -1.347 -12.972 2.823 1.00 0.00 O ATOM 1332 CB ALA A 87 -2.438 -15.182 0.613 1.00 0.00 C ATOM 0 H ALA A 87 -1.119 -17.069 1.586 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.471 -14.355 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.883 -14.226 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.161 -15.728 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.159 -15.767 1.184 1.00 0.00 H new ATOM 1338 N GLN A 88 -2.143 -14.819 3.702 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.525 -14.099 4.952 1.00 0.00 C ATOM 1340 C GLN A 88 -1.249 -13.543 5.595 1.00 0.00 C ATOM 1341 O GLN A 88 -1.213 -12.424 6.068 1.00 0.00 O ATOM 1342 CB GLN A 88 -3.240 -15.067 5.915 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.750 -15.024 5.661 1.00 0.00 C ATOM 1344 CD GLN A 88 -5.441 -16.128 6.464 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.479 -17.267 6.043 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -5.991 -15.840 7.610 1.00 0.00 N ATOM 0 H GLN A 88 -2.360 -15.816 3.687 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.208 -13.280 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.866 -16.081 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.027 -14.792 6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.149 -14.050 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.953 -15.153 4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.960 -14.884 7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.453 -16.570 8.152 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.194 -14.309 5.592 1.00 0.00 N ATOM 1356 CA ALA A 89 1.083 -13.815 6.174 1.00 0.00 C ATOM 1357 C ALA A 89 1.544 -12.608 5.354 1.00 0.00 C ATOM 1358 O ALA A 89 2.004 -11.608 5.884 1.00 0.00 O ATOM 1359 CB ALA A 89 2.138 -14.920 6.098 1.00 0.00 C ATOM 0 H ALA A 89 -0.162 -15.255 5.212 1.00 0.00 H new ATOM 0 HA ALA A 89 0.941 -13.531 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.074 -14.559 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.795 -15.789 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.297 -15.200 5.057 1.00 0.00 H new ATOM 1365 N ALA A 90 1.397 -12.682 4.059 1.00 0.00 N ATOM 1366 CA ALA A 90 1.803 -11.534 3.206 1.00 0.00 C ATOM 1367 C ALA A 90 0.956 -10.333 3.614 1.00 0.00 C ATOM 1368 O ALA A 90 1.339 -9.191 3.443 1.00 0.00 O ATOM 1369 CB ALA A 90 1.552 -11.870 1.733 1.00 0.00 C ATOM 0 H ALA A 90 1.015 -13.485 3.559 1.00 0.00 H new ATOM 0 HA ALA A 90 2.863 -11.316 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.851 -11.026 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.134 -12.749 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.492 -12.075 1.582 1.00 0.00 H new ATOM 1375 N ALA A 91 -0.190 -10.593 4.178 1.00 0.00 N ATOM 1376 CA ALA A 91 -1.071 -9.489 4.634 1.00 0.00 C ATOM 1377 C ALA A 91 -0.356 -8.722 5.757 1.00 0.00 C ATOM 1378 O ALA A 91 -0.351 -7.508 5.789 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.397 -10.087 5.135 1.00 0.00 C ATOM 0 H ALA A 91 -0.555 -11.531 4.343 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.286 -8.799 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.053 -9.285 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.879 -10.633 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.199 -10.767 5.963 1.00 0.00 H new ATOM 1385 N GLU A 92 0.259 -9.431 6.671 1.00 0.00 N ATOM 1386 CA GLU A 92 0.985 -8.754 7.787 1.00 0.00 C ATOM 1387 C GLU A 92 2.155 -7.951 7.214 1.00 0.00 C ATOM 1388 O GLU A 92 2.709 -7.089 7.869 1.00 0.00 O ATOM 1389 CB GLU A 92 1.506 -9.816 8.774 1.00 0.00 C ATOM 1390 CG GLU A 92 0.377 -10.254 9.750 1.00 0.00 C ATOM 1391 CD GLU A 92 0.344 -11.784 9.871 1.00 0.00 C ATOM 1392 OE1 GLU A 92 1.315 -12.341 10.356 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -0.650 -12.368 9.473 1.00 0.00 O ATOM 0 H GLU A 92 0.289 -10.450 6.692 1.00 0.00 H new ATOM 0 HA GLU A 92 0.311 -8.078 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.875 -10.682 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.347 -9.414 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.541 -9.808 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.586 -9.890 9.391 1.00 0.00 H new ATOM 1400 N GLN A 93 2.525 -8.212 5.993 1.00 0.00 N ATOM 1401 CA GLN A 93 3.642 -7.453 5.374 1.00 0.00 C ATOM 1402 C GLN A 93 3.104 -6.069 4.992 1.00 0.00 C ATOM 1403 O GLN A 93 3.743 -5.064 5.216 1.00 0.00 O ATOM 1404 CB GLN A 93 4.176 -8.276 4.159 1.00 0.00 C ATOM 1405 CG GLN A 93 3.858 -7.628 2.798 1.00 0.00 C ATOM 1406 CD GLN A 93 4.727 -6.387 2.598 1.00 0.00 C ATOM 1407 OE1 GLN A 93 5.353 -5.874 3.617 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 4.832 -5.876 1.500 1.00 0.00 N flip ATOM 0 H GLN A 93 2.100 -8.921 5.396 1.00 0.00 H new ATOM 0 HA GLN A 93 4.484 -7.303 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.255 -8.393 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.743 -9.276 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.038 -8.342 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.804 -7.356 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.341 -6.278 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.411 -5.045 1.377 1.00 0.00 H new ATOM 1417 N LEU A 94 1.921 -6.011 4.450 1.00 0.00 N ATOM 1418 CA LEU A 94 1.333 -4.691 4.085 1.00 0.00 C ATOM 1419 C LEU A 94 1.100 -3.876 5.357 1.00 0.00 C ATOM 1420 O LEU A 94 1.369 -2.694 5.411 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.006 -4.911 3.377 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.643 -3.565 2.983 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.296 -2.780 2.046 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -1.983 -3.828 2.274 1.00 0.00 C ATOM 0 H LEU A 94 1.335 -6.820 4.243 1.00 0.00 H new ATOM 0 HA LEU A 94 2.015 -4.157 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.144 -5.522 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.682 -5.461 4.031 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.811 -2.973 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.168 -1.831 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.241 -2.590 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.480 -3.363 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.438 -2.878 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.810 -4.426 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.651 -4.366 2.947 1.00 0.00 H new ATOM 1436 N LYS A 95 0.596 -4.496 6.381 1.00 0.00 N ATOM 1437 CA LYS A 95 0.346 -3.755 7.646 1.00 0.00 C ATOM 1438 C LYS A 95 1.643 -3.079 8.088 1.00 0.00 C ATOM 1439 O LYS A 95 1.735 -1.867 8.184 1.00 0.00 O ATOM 1440 CB LYS A 95 -0.118 -4.743 8.725 1.00 0.00 C ATOM 1441 CG LYS A 95 -1.532 -5.257 8.385 1.00 0.00 C ATOM 1442 CD LYS A 95 -1.835 -6.602 9.118 1.00 0.00 C ATOM 1443 CE LYS A 95 -3.124 -6.485 9.944 1.00 0.00 C ATOM 1444 NZ LYS A 95 -3.333 -7.741 10.718 1.00 0.00 N ATOM 0 H LYS A 95 0.345 -5.485 6.399 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.425 -3.000 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.578 -5.579 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.122 -4.256 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.272 -4.509 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.621 -5.399 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.935 -7.406 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.001 -6.864 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.058 -5.634 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.975 -6.304 9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.778 -7.516 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.950 -8.382 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.416 -8.203 10.885 1.00 0.00 H new ATOM 1458 N THR A 96 2.646 -3.859 8.364 1.00 0.00 N ATOM 1459 CA THR A 96 3.940 -3.280 8.807 1.00 0.00 C ATOM 1460 C THR A 96 4.605 -2.507 7.658 1.00 0.00 C ATOM 1461 O THR A 96 5.417 -1.633 7.893 1.00 0.00 O ATOM 1462 CB THR A 96 4.858 -4.415 9.297 1.00 0.00 C ATOM 1463 OG1 THR A 96 4.061 -5.453 9.850 1.00 0.00 O ATOM 1464 CG2 THR A 96 5.828 -3.894 10.367 1.00 0.00 C ATOM 0 H THR A 96 2.625 -4.877 8.302 1.00 0.00 H new ATOM 0 HA THR A 96 3.763 -2.580 9.624 1.00 0.00 H new ATOM 0 HB THR A 96 5.435 -4.795 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.766 -6.055 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.470 -4.708 10.703 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.442 -3.098 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.262 -3.505 11.213 1.00 0.00 H new ATOM 1472 N THR A 97 4.284 -2.805 6.415 1.00 0.00 N ATOM 1473 CA THR A 97 4.933 -2.047 5.297 1.00 0.00 C ATOM 1474 C THR A 97 4.805 -0.554 5.598 1.00 0.00 C ATOM 1475 O THR A 97 5.775 0.163 5.684 1.00 0.00 O ATOM 1476 CB THR A 97 4.247 -2.343 3.948 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.539 -3.667 3.548 1.00 0.00 O ATOM 1478 CG2 THR A 97 4.759 -1.376 2.874 1.00 0.00 C ATOM 0 H THR A 97 3.617 -3.523 6.134 1.00 0.00 H new ATOM 0 HA THR A 97 5.977 -2.350 5.223 1.00 0.00 H new ATOM 0 HB THR A 97 3.171 -2.219 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.725 -4.214 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.269 -1.593 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.536 -0.351 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.837 -1.495 2.761 1.00 0.00 H new ATOM 1486 N ILE A 98 3.597 -0.099 5.753 1.00 0.00 N ATOM 1487 CA ILE A 98 3.339 1.331 6.057 1.00 0.00 C ATOM 1488 C ILE A 98 4.030 1.736 7.369 1.00 0.00 C ATOM 1489 O ILE A 98 4.807 2.668 7.403 1.00 0.00 O ATOM 1490 CB ILE A 98 1.805 1.502 6.149 1.00 0.00 C ATOM 1491 CG1 ILE A 98 1.181 1.472 4.719 1.00 0.00 C ATOM 1492 CG2 ILE A 98 1.435 2.808 6.867 1.00 0.00 C ATOM 1493 CD1 ILE A 98 0.683 0.059 4.381 1.00 0.00 C ATOM 0 H ILE A 98 2.757 -0.673 5.680 1.00 0.00 H new ATOM 0 HA ILE A 98 3.744 1.978 5.279 1.00 0.00 H new ATOM 0 HB ILE A 98 1.402 0.674 6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.354 2.179 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.922 1.788 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.350 2.901 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.845 2.797 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.847 3.655 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.251 0.055 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.519 -0.640 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.074 -0.243 5.105 1.00 0.00 H new ATOM 1505 N ARG A 99 3.750 1.068 8.450 1.00 0.00 N ATOM 1506 CA ARG A 99 4.378 1.450 9.742 1.00 0.00 C ATOM 1507 C ARG A 99 5.919 1.402 9.655 1.00 0.00 C ATOM 1508 O ARG A 99 6.593 2.315 10.092 1.00 0.00 O ATOM 1509 CB ARG A 99 3.863 0.466 10.802 1.00 0.00 C ATOM 1510 CG ARG A 99 3.749 1.132 12.183 1.00 0.00 C ATOM 1511 CD ARG A 99 5.094 1.067 12.912 1.00 0.00 C ATOM 1512 NE ARG A 99 5.372 -0.342 13.305 1.00 0.00 N ATOM 1513 CZ ARG A 99 6.419 -0.623 14.031 1.00 0.00 C ATOM 1514 NH1 ARG A 99 7.232 0.329 14.397 1.00 0.00 N ATOM 1515 NH2 ARG A 99 6.658 -1.856 14.386 1.00 0.00 N ATOM 0 H ARG A 99 3.113 0.273 8.495 1.00 0.00 H new ATOM 0 HA ARG A 99 4.113 2.475 10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.888 0.083 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.537 -0.389 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.438 2.171 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.982 0.632 12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.889 1.440 12.267 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.074 1.706 13.795 1.00 0.00 H new ATOM 0 HE ARG A 99 4.744 -1.088 13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.049 1.292 14.116 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.051 0.110 14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.026 -2.602 14.096 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.477 -2.074 14.954 1.00 0.00 H new ATOM 1529 N ALA A 100 6.483 0.356 9.110 1.00 0.00 N ATOM 1530 CA ALA A 100 7.980 0.278 9.019 1.00 0.00 C ATOM 1531 C ALA A 100 8.496 1.434 8.169 1.00 0.00 C ATOM 1532 O ALA A 100 9.486 2.067 8.479 1.00 0.00 O ATOM 1533 CB ALA A 100 8.391 -1.043 8.366 1.00 0.00 C ATOM 0 H ALA A 100 5.981 -0.444 8.725 1.00 0.00 H new ATOM 0 HA ALA A 100 8.403 0.336 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.478 -1.095 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.023 -1.875 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.966 -1.101 7.364 1.00 0.00 H new ATOM 1539 N TYR A 101 7.811 1.713 7.104 1.00 0.00 N ATOM 1540 CA TYR A 101 8.208 2.828 6.208 1.00 0.00 C ATOM 1541 C TYR A 101 8.030 4.132 6.983 1.00 0.00 C ATOM 1542 O TYR A 101 8.262 5.203 6.466 1.00 0.00 O ATOM 1543 CB TYR A 101 7.280 2.807 4.974 1.00 0.00 C ATOM 1544 CG TYR A 101 7.796 1.859 3.901 1.00 0.00 C ATOM 1545 CD1 TYR A 101 8.593 0.753 4.240 1.00 0.00 C ATOM 1546 CD2 TYR A 101 7.471 2.092 2.551 1.00 0.00 C ATOM 1547 CE1 TYR A 101 9.065 -0.106 3.241 1.00 0.00 C ATOM 1548 CE2 TYR A 101 7.944 1.226 1.556 1.00 0.00 C ATOM 1549 CZ TYR A 101 8.742 0.130 1.901 1.00 0.00 C ATOM 1550 OH TYR A 101 9.210 -0.718 0.918 1.00 0.00 O ATOM 0 H TYR A 101 6.976 1.206 6.809 1.00 0.00 H new ATOM 0 HA TYR A 101 9.243 2.734 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.278 2.504 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.198 3.813 4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.842 0.565 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.857 2.939 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.680 -0.953 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.692 1.405 0.521 1.00 0.00 H new ATOM 0 HH TYR A 101 8.892 -0.411 0.043 1.00 0.00 H new ATOM 1560 N ASN A 102 7.575 4.022 8.213 1.00 0.00 N ATOM 1561 CA ASN A 102 7.315 5.219 9.069 1.00 0.00 C ATOM 1562 C ASN A 102 5.913 5.676 8.718 1.00 0.00 C ATOM 1563 O ASN A 102 5.730 6.692 8.074 1.00 0.00 O ATOM 1564 CB ASN A 102 8.329 6.347 8.799 1.00 0.00 C ATOM 1565 CG ASN A 102 8.357 7.302 9.993 1.00 0.00 C ATOM 1566 OD1 ASN A 102 9.236 7.226 10.829 1.00 0.00 O ATOM 1567 ND2 ASN A 102 7.422 8.203 10.104 1.00 0.00 N ATOM 0 H ASN A 102 7.370 3.131 8.665 1.00 0.00 H new ATOM 0 HA ASN A 102 7.415 4.968 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.321 5.927 8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 102 8.055 6.888 7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.426 8.848 10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.686 8.264 9.400 1.00 0.00 H new ATOM 1574 N GLN A 103 4.914 4.903 9.082 1.00 0.00 N ATOM 1575 CA GLN A 103 3.535 5.257 8.703 1.00 0.00 C ATOM 1576 C GLN A 103 3.568 5.636 7.224 1.00 0.00 C ATOM 1577 O GLN A 103 3.164 6.704 6.811 1.00 0.00 O ATOM 1578 CB GLN A 103 3.066 6.408 9.580 1.00 0.00 C ATOM 1579 CG GLN A 103 2.329 5.853 10.805 1.00 0.00 C ATOM 1580 CD GLN A 103 0.984 5.273 10.368 1.00 0.00 C ATOM 1581 OE1 GLN A 103 0.708 5.189 9.094 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 0.174 4.895 11.192 1.00 0.00 N flip ATOM 0 H GLN A 103 5.009 4.045 9.625 1.00 0.00 H new ATOM 0 HA GLN A 103 2.836 4.434 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.919 7.008 9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.407 7.065 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.931 5.082 11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.175 6.643 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.390 4.961 12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.721 4.512 10.889 1.00 0.00 H new ATOM 1591 N LYS A 104 4.087 4.723 6.454 1.00 0.00 N ATOM 1592 CA LYS A 104 4.229 4.892 5.002 1.00 0.00 C ATOM 1593 C LYS A 104 5.118 6.106 4.720 1.00 0.00 C ATOM 1594 O LYS A 104 6.245 5.942 4.298 1.00 0.00 O ATOM 1595 CB LYS A 104 2.832 4.985 4.403 1.00 0.00 C ATOM 1596 CG LYS A 104 2.870 5.564 2.994 1.00 0.00 C ATOM 1597 CD LYS A 104 3.905 4.799 2.154 1.00 0.00 C ATOM 1598 CE LYS A 104 3.629 5.018 0.665 1.00 0.00 C ATOM 1599 NZ LYS A 104 4.827 4.616 -0.123 1.00 0.00 N ATOM 0 H LYS A 104 4.432 3.828 6.800 1.00 0.00 H new ATOM 0 HA LYS A 104 4.726 4.044 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.378 3.994 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.203 5.609 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.885 5.491 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.127 6.623 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.911 5.140 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.862 3.735 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.763 4.434 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.391 6.065 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.642 4.764 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.643 5.192 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.034 3.611 0.048 1.00 0.00 H new ATOM 1613 N TYR A 105 4.671 7.310 4.968 1.00 0.00 N ATOM 1614 CA TYR A 105 5.562 8.495 4.725 1.00 0.00 C ATOM 1615 C TYR A 105 5.334 9.550 5.824 1.00 0.00 C ATOM 1616 O TYR A 105 6.101 10.483 5.958 1.00 0.00 O ATOM 1617 CB TYR A 105 5.284 9.094 3.319 1.00 0.00 C ATOM 1618 CG TYR A 105 6.556 9.099 2.491 1.00 0.00 C ATOM 1619 CD1 TYR A 105 7.091 7.894 2.023 1.00 0.00 C ATOM 1620 CD2 TYR A 105 7.207 10.309 2.209 1.00 0.00 C ATOM 1621 CE1 TYR A 105 8.271 7.895 1.275 1.00 0.00 C ATOM 1622 CE2 TYR A 105 8.387 10.311 1.458 1.00 0.00 C ATOM 1623 CZ TYR A 105 8.921 9.105 0.991 1.00 0.00 C ATOM 1624 OH TYR A 105 10.087 9.108 0.255 1.00 0.00 O ATOM 0 H TYR A 105 3.740 7.528 5.324 1.00 0.00 H new ATOM 0 HA TYR A 105 6.604 8.176 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.514 8.511 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.901 10.110 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.591 6.962 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 105 6.797 11.240 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.683 6.964 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.886 11.243 1.239 1.00 0.00 H new ATOM 0 HH TYR A 105 10.405 10.029 0.149 1.00 0.00 H new ATOM 1634 N GLY A 106 4.295 9.405 6.608 1.00 0.00 N ATOM 1635 CA GLY A 106 4.017 10.393 7.697 1.00 0.00 C ATOM 1636 C GLY A 106 4.268 11.821 7.200 1.00 0.00 C ATOM 1637 O GLY A 106 3.336 12.426 6.698 1.00 0.00 O ATOM 1638 OXT GLY A 106 5.391 12.283 7.331 1.00 0.00 O ATOM 0 H GLY A 106 3.623 8.640 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.984 10.294 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.652 10.184 8.558 1.00 0.00 H new TER 1642 GLY A 106