USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 80:sc= 1.18 USER MOD Set 1.2: A 65 SER OG : rot -126:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -116:sc= -0.758 (180deg=-2.84!) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0399 (180deg=-0.128) USER MOD Single : A 3 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.7) USER MOD Single : A 7 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.025) USER MOD Single : A 13 HIS : no HD1:sc= -0.505 K(o=-0.5,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.73) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.551 (180deg=0.546) USER MOD Single : A 21 SER OG : rot 180:sc= -0.153 USER MOD Single : A 22 THR OG1 : rot -70:sc= -0.66 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0235 (180deg=-0.165) USER MOD Single : A 29 MET CE :methyl -123:sc= -2.1! (180deg=-3.23) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.16 F(o=-1.1,f=-0.16) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 50 SER OG : rot -105:sc= 0.344 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.197 K(o=-0.2,f=-7.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -1.17 (180deg=-3.54!) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -0.0215 (180deg=-0.142) USER MOD Single : A 74 GLN : amide:sc= -1.52! C(o=-1.5!,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0.395 (180deg=0.0158) USER MOD Single : A 76 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.01) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= 0.0627 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= -0.043 (180deg=-0.234) USER MOD Single : A 95 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.361) USER MOD Single : A 96 TYR OH : rot 110:sc= -0.555 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.799 -3.323 14.115 1.00 45.11 N ATOM 2 CA MET A 1 -14.011 -2.831 12.726 1.00 72.44 C ATOM 3 C MET A 1 -14.674 -3.901 11.851 1.00 31.22 C ATOM 4 O MET A 1 -14.775 -5.063 12.244 1.00 52.41 O ATOM 5 CB MET A 1 -12.676 -2.392 12.107 1.00 62.10 C ATOM 6 CG MET A 1 -11.616 -3.485 12.068 1.00 33.14 C ATOM 7 SD MET A 1 -10.063 -2.920 11.345 1.00 40.33 S ATOM 8 CE MET A 1 -9.033 -4.371 11.563 1.00 22.32 C ATOM 0 H1 MET A 1 -12.860 -3.025 14.449 1.00 45.11 H new ATOM 0 H2 MET A 1 -14.531 -2.927 14.739 1.00 45.11 H new ATOM 0 H3 MET A 1 -13.857 -4.361 14.128 1.00 45.11 H new ATOM 0 HA MET A 1 -14.681 -1.972 12.773 1.00 72.44 H new ATOM 0 HB2 MET A 1 -12.857 -2.041 11.091 1.00 62.10 H new ATOM 0 HB3 MET A 1 -12.288 -1.545 12.672 1.00 62.10 H new ATOM 0 HG2 MET A 1 -11.432 -3.844 13.081 1.00 33.14 H new ATOM 0 HG3 MET A 1 -11.993 -4.331 11.494 1.00 33.14 H new ATOM 0 HE1 MET A 1 -8.210 -4.135 12.238 1.00 22.32 H new ATOM 0 HE2 MET A 1 -9.629 -5.180 11.986 1.00 22.32 H new ATOM 0 HE3 MET A 1 -8.633 -4.682 10.598 1.00 22.32 H new ATOM 20 N ASP A 2 -15.111 -3.502 10.661 1.00 74.21 N ATOM 21 CA ASP A 2 -15.840 -4.394 9.753 1.00 13.13 C ATOM 22 C ASP A 2 -14.957 -5.552 9.247 1.00 2.35 C ATOM 23 O ASP A 2 -13.774 -5.361 8.966 1.00 74.05 O ATOM 24 CB ASP A 2 -16.366 -3.581 8.568 1.00 42.14 C ATOM 25 CG ASP A 2 -16.996 -2.274 9.019 1.00 13.41 C ATOM 26 OD1 ASP A 2 -18.164 -2.290 9.456 1.00 24.41 O ATOM 27 OD2 ASP A 2 -16.316 -1.228 8.960 1.00 22.44 O ATOM 0 H ASP A 2 -14.974 -2.559 10.297 1.00 74.21 H new ATOM 0 HA ASP A 2 -16.669 -4.837 10.305 1.00 13.13 H new ATOM 0 HB2 ASP A 2 -15.548 -3.372 7.878 1.00 42.14 H new ATOM 0 HB3 ASP A 2 -17.102 -4.170 8.021 1.00 42.14 H new ATOM 32 N GLN A 3 -15.543 -6.747 9.121 1.00 24.31 N ATOM 33 CA GLN A 3 -14.814 -7.930 8.630 1.00 24.42 C ATOM 34 C GLN A 3 -14.125 -7.681 7.282 1.00 12.03 C ATOM 35 O GLN A 3 -13.068 -8.247 7.010 1.00 23.05 O ATOM 36 CB GLN A 3 -15.748 -9.145 8.530 1.00 14.33 C ATOM 37 CG GLN A 3 -15.984 -9.845 9.864 1.00 32.01 C ATOM 38 CD GLN A 3 -14.705 -10.436 10.446 1.00 2.10 C ATOM 39 OE1 GLN A 3 -13.806 -10.852 9.719 1.00 42.34 O ATOM 40 NE2 GLN A 3 -14.605 -10.471 11.756 1.00 3.45 N ATOM 0 H GLN A 3 -16.521 -6.925 9.351 1.00 24.31 H new ATOM 0 HA GLN A 3 -14.032 -8.138 9.360 1.00 24.42 H new ATOM 0 HB2 GLN A 3 -16.707 -8.823 8.123 1.00 14.33 H new ATOM 0 HB3 GLN A 3 -15.326 -9.860 7.824 1.00 14.33 H new ATOM 0 HG2 GLN A 3 -16.408 -9.135 10.574 1.00 32.01 H new ATOM 0 HG3 GLN A 3 -16.719 -10.639 9.729 1.00 32.01 H new ATOM 0 HE21 GLN A 3 -15.367 -10.119 12.335 1.00 3.45 H new ATOM 0 HE22 GLN A 3 -13.765 -10.850 12.193 1.00 3.45 H new ATOM 49 N PHE A 4 -14.721 -6.841 6.438 1.00 15.31 N ATOM 50 CA PHE A 4 -14.072 -6.439 5.187 1.00 43.43 C ATOM 51 C PHE A 4 -12.689 -5.839 5.482 1.00 62.01 C ATOM 52 O PHE A 4 -11.682 -6.229 4.886 1.00 34.13 O ATOM 53 CB PHE A 4 -14.941 -5.424 4.426 1.00 43.32 C ATOM 54 CG PHE A 4 -14.256 -4.820 3.223 1.00 31.32 C ATOM 55 CD1 PHE A 4 -14.059 -5.569 2.073 1.00 35.40 C ATOM 56 CD2 PHE A 4 -13.808 -3.506 3.245 1.00 44.14 C ATOM 57 CE1 PHE A 4 -13.429 -5.022 0.972 1.00 63.25 C ATOM 58 CE2 PHE A 4 -13.179 -2.955 2.145 1.00 21.35 C ATOM 59 CZ PHE A 4 -12.988 -3.714 1.007 1.00 10.31 C ATOM 0 H PHE A 4 -15.641 -6.429 6.592 1.00 15.31 H new ATOM 0 HA PHE A 4 -13.949 -7.322 4.560 1.00 43.43 H new ATOM 0 HB2 PHE A 4 -15.858 -5.915 4.102 1.00 43.32 H new ATOM 0 HB3 PHE A 4 -15.231 -4.624 5.107 1.00 43.32 H new ATOM 0 HD1 PHE A 4 -14.402 -6.592 2.038 1.00 35.40 H new ATOM 0 HD2 PHE A 4 -13.953 -2.908 4.132 1.00 44.14 H new ATOM 0 HE1 PHE A 4 -13.281 -5.618 0.083 1.00 63.25 H new ATOM 0 HE2 PHE A 4 -12.837 -1.931 2.175 1.00 21.35 H new ATOM 0 HZ PHE A 4 -12.495 -3.286 0.147 1.00 10.31 H new ATOM 69 N LEU A 5 -12.658 -4.912 6.435 1.00 71.43 N ATOM 70 CA LEU A 5 -11.418 -4.266 6.865 1.00 72.52 C ATOM 71 C LEU A 5 -10.488 -5.264 7.566 1.00 24.34 C ATOM 72 O LEU A 5 -9.301 -5.328 7.269 1.00 3.45 O ATOM 73 CB LEU A 5 -11.735 -3.101 7.811 1.00 74.31 C ATOM 74 CG LEU A 5 -12.709 -2.052 7.253 1.00 53.43 C ATOM 75 CD1 LEU A 5 -13.002 -0.978 8.296 1.00 54.23 C ATOM 76 CD2 LEU A 5 -12.165 -1.428 5.969 1.00 63.34 C ATOM 0 H LEU A 5 -13.488 -4.587 6.931 1.00 71.43 H new ATOM 0 HA LEU A 5 -10.909 -3.888 5.979 1.00 72.52 H new ATOM 0 HB2 LEU A 5 -12.151 -3.506 8.733 1.00 74.31 H new ATOM 0 HB3 LEU A 5 -10.802 -2.603 8.074 1.00 74.31 H new ATOM 0 HG LEU A 5 -13.645 -2.556 7.011 1.00 53.43 H new ATOM 0 HD11 LEU A 5 -13.694 -0.246 7.880 1.00 54.23 H new ATOM 0 HD12 LEU A 5 -13.448 -1.439 9.177 1.00 54.23 H new ATOM 0 HD13 LEU A 5 -12.074 -0.481 8.577 1.00 54.23 H new ATOM 0 HD21 LEU A 5 -12.874 -0.689 5.595 1.00 63.34 H new ATOM 0 HD22 LEU A 5 -11.211 -0.943 6.176 1.00 63.34 H new ATOM 0 HD23 LEU A 5 -12.022 -2.206 5.219 1.00 63.34 H new ATOM 88 N VAL A 6 -11.045 -6.047 8.491 1.00 15.05 N ATOM 89 CA VAL A 6 -10.269 -7.049 9.235 1.00 35.24 C ATOM 90 C VAL A 6 -9.484 -7.978 8.295 1.00 22.14 C ATOM 91 O VAL A 6 -8.281 -8.170 8.460 1.00 1.23 O ATOM 92 CB VAL A 6 -11.185 -7.909 10.145 1.00 13.04 C ATOM 93 CG1 VAL A 6 -10.379 -8.968 10.899 1.00 53.34 C ATOM 94 CG2 VAL A 6 -11.963 -7.029 11.120 1.00 75.13 C ATOM 0 H VAL A 6 -12.032 -6.009 8.746 1.00 15.05 H new ATOM 0 HA VAL A 6 -9.562 -6.495 9.853 1.00 35.24 H new ATOM 0 HB VAL A 6 -11.900 -8.425 9.504 1.00 13.04 H new ATOM 0 HG11 VAL A 6 -11.048 -9.555 11.528 1.00 53.34 H new ATOM 0 HG12 VAL A 6 -9.884 -9.625 10.184 1.00 53.34 H new ATOM 0 HG13 VAL A 6 -9.630 -8.480 11.522 1.00 53.34 H new ATOM 0 HG21 VAL A 6 -12.598 -7.654 11.747 1.00 75.13 H new ATOM 0 HG22 VAL A 6 -11.264 -6.476 11.748 1.00 75.13 H new ATOM 0 HG23 VAL A 6 -12.583 -6.327 10.562 1.00 75.13 H new ATOM 104 N GLN A 7 -10.173 -8.535 7.301 1.00 43.33 N ATOM 105 CA GLN A 7 -9.557 -9.483 6.365 1.00 1.13 C ATOM 106 C GLN A 7 -8.437 -8.831 5.530 1.00 61.25 C ATOM 107 O GLN A 7 -7.309 -9.337 5.488 1.00 51.33 O ATOM 108 CB GLN A 7 -10.631 -10.081 5.445 1.00 30.43 C ATOM 109 CG GLN A 7 -11.718 -10.853 6.193 1.00 30.31 C ATOM 110 CD GLN A 7 -11.181 -12.077 6.915 1.00 62.21 C ATOM 111 OE1 GLN A 7 -11.158 -13.175 6.371 1.00 20.13 O ATOM 112 NE2 GLN A 7 -10.745 -11.898 8.147 1.00 4.52 N ATOM 0 H GLN A 7 -11.159 -8.348 7.120 1.00 43.33 H new ATOM 0 HA GLN A 7 -9.098 -10.277 6.953 1.00 1.13 H new ATOM 0 HB2 GLN A 7 -11.096 -9.278 4.873 1.00 30.43 H new ATOM 0 HB3 GLN A 7 -10.152 -10.747 4.727 1.00 30.43 H new ATOM 0 HG2 GLN A 7 -12.195 -10.191 6.916 1.00 30.31 H new ATOM 0 HG3 GLN A 7 -12.489 -11.162 5.487 1.00 30.31 H new ATOM 0 HE21 GLN A 7 -10.778 -10.970 8.570 1.00 4.52 H new ATOM 0 HE22 GLN A 7 -10.374 -12.687 8.677 1.00 4.52 H new ATOM 121 N ILE A 8 -8.740 -7.705 4.876 1.00 13.43 N ATOM 122 CA ILE A 8 -7.750 -7.032 4.022 1.00 61.13 C ATOM 123 C ILE A 8 -6.562 -6.494 4.844 1.00 35.23 C ATOM 124 O ILE A 8 -5.402 -6.693 4.475 1.00 72.03 O ATOM 125 CB ILE A 8 -8.382 -5.883 3.184 1.00 1.20 C ATOM 126 CG1 ILE A 8 -9.000 -4.808 4.091 1.00 1.20 C ATOM 127 CG2 ILE A 8 -9.431 -6.440 2.216 1.00 64.01 C ATOM 128 CD1 ILE A 8 -9.613 -3.642 3.340 1.00 32.13 C ATOM 0 H ILE A 8 -9.649 -7.244 4.919 1.00 13.43 H new ATOM 0 HA ILE A 8 -7.379 -7.789 3.331 1.00 61.13 H new ATOM 0 HB ILE A 8 -7.587 -5.414 2.604 1.00 1.20 H new ATOM 0 HG12 ILE A 8 -9.767 -5.270 4.713 1.00 1.20 H new ATOM 0 HG13 ILE A 8 -8.230 -4.429 4.763 1.00 1.20 H new ATOM 0 HG21 ILE A 8 -9.863 -5.623 1.638 1.00 64.01 H new ATOM 0 HG22 ILE A 8 -8.960 -7.153 1.540 1.00 64.01 H new ATOM 0 HG23 ILE A 8 -10.218 -6.940 2.781 1.00 64.01 H new ATOM 0 HD11 ILE A 8 -10.027 -2.928 4.052 1.00 32.13 H new ATOM 0 HD12 ILE A 8 -8.846 -3.153 2.739 1.00 32.13 H new ATOM 0 HD13 ILE A 8 -10.407 -4.006 2.688 1.00 32.13 H new ATOM 140 N PHE A 9 -6.855 -5.838 5.971 1.00 13.50 N ATOM 141 CA PHE A 9 -5.811 -5.312 6.862 1.00 24.50 C ATOM 142 C PHE A 9 -4.925 -6.444 7.403 1.00 12.12 C ATOM 143 O PHE A 9 -3.699 -6.319 7.447 1.00 64.34 O ATOM 144 CB PHE A 9 -6.434 -4.534 8.036 1.00 71.30 C ATOM 145 CG PHE A 9 -7.154 -3.260 7.648 1.00 62.23 C ATOM 146 CD1 PHE A 9 -7.153 -2.798 6.336 1.00 62.13 C ATOM 147 CD2 PHE A 9 -7.823 -2.516 8.608 1.00 21.54 C ATOM 148 CE1 PHE A 9 -7.804 -1.625 5.998 1.00 15.42 C ATOM 149 CE2 PHE A 9 -8.475 -1.345 8.273 1.00 33.42 C ATOM 150 CZ PHE A 9 -8.465 -0.899 6.967 1.00 61.50 C ATOM 0 H PHE A 9 -7.807 -5.657 6.290 1.00 13.50 H new ATOM 0 HA PHE A 9 -5.191 -4.633 6.276 1.00 24.50 H new ATOM 0 HB2 PHE A 9 -7.136 -5.187 8.553 1.00 71.30 H new ATOM 0 HB3 PHE A 9 -5.646 -4.286 8.747 1.00 71.30 H new ATOM 0 HD1 PHE A 9 -6.638 -3.362 5.572 1.00 62.13 H new ATOM 0 HD2 PHE A 9 -7.835 -2.857 9.633 1.00 21.54 H new ATOM 0 HE1 PHE A 9 -7.795 -1.278 4.975 1.00 15.42 H new ATOM 0 HE2 PHE A 9 -8.993 -0.779 9.033 1.00 33.42 H new ATOM 0 HZ PHE A 9 -8.974 0.017 6.704 1.00 61.50 H new ATOM 160 N ALA A 10 -5.554 -7.550 7.806 1.00 34.12 N ATOM 161 CA ALA A 10 -4.826 -8.726 8.294 1.00 70.41 C ATOM 162 C ALA A 10 -3.755 -9.174 7.295 1.00 3.13 C ATOM 163 O ALA A 10 -2.631 -9.492 7.678 1.00 64.44 O ATOM 164 CB ALA A 10 -5.792 -9.871 8.582 1.00 75.00 C ATOM 0 H ALA A 10 -6.568 -7.657 7.804 1.00 34.12 H new ATOM 0 HA ALA A 10 -4.325 -8.445 9.221 1.00 70.41 H new ATOM 0 HB1 ALA A 10 -5.235 -10.735 8.943 1.00 75.00 H new ATOM 0 HB2 ALA A 10 -6.510 -9.559 9.341 1.00 75.00 H new ATOM 0 HB3 ALA A 10 -6.323 -10.138 7.668 1.00 75.00 H new ATOM 170 N VAL A 11 -4.109 -9.184 6.009 1.00 10.54 N ATOM 171 CA VAL A 11 -3.159 -9.545 4.950 1.00 41.20 C ATOM 172 C VAL A 11 -2.004 -8.530 4.869 1.00 14.01 C ATOM 173 O VAL A 11 -0.837 -8.902 4.734 1.00 43.33 O ATOM 174 CB VAL A 11 -3.859 -9.632 3.568 1.00 13.00 C ATOM 175 CG1 VAL A 11 -2.868 -10.041 2.478 1.00 63.22 C ATOM 176 CG2 VAL A 11 -5.042 -10.600 3.615 1.00 14.52 C ATOM 0 H VAL A 11 -5.043 -8.947 5.674 1.00 10.54 H new ATOM 0 HA VAL A 11 -2.757 -10.525 5.206 1.00 41.20 H new ATOM 0 HB VAL A 11 -4.241 -8.641 3.323 1.00 13.00 H new ATOM 0 HG11 VAL A 11 -3.384 -10.095 1.519 1.00 63.22 H new ATOM 0 HG12 VAL A 11 -2.068 -9.304 2.419 1.00 63.22 H new ATOM 0 HG13 VAL A 11 -2.445 -11.017 2.718 1.00 63.22 H new ATOM 0 HG21 VAL A 11 -5.516 -10.643 2.634 1.00 14.52 H new ATOM 0 HG22 VAL A 11 -4.689 -11.593 3.891 1.00 14.52 H new ATOM 0 HG23 VAL A 11 -5.766 -10.254 4.353 1.00 14.52 H new ATOM 186 N ILE A 12 -2.345 -7.248 4.975 1.00 72.43 N ATOM 187 CA ILE A 12 -1.363 -6.162 4.886 1.00 25.35 C ATOM 188 C ILE A 12 -0.322 -6.227 6.022 1.00 53.24 C ATOM 189 O ILE A 12 0.839 -5.864 5.833 1.00 51.33 O ATOM 190 CB ILE A 12 -2.072 -4.784 4.908 1.00 61.14 C ATOM 191 CG1 ILE A 12 -3.093 -4.693 3.761 1.00 14.15 C ATOM 192 CG2 ILE A 12 -1.059 -3.645 4.813 1.00 15.55 C ATOM 193 CD1 ILE A 12 -3.986 -3.474 3.831 1.00 22.23 C ATOM 0 H ILE A 12 -3.303 -6.930 5.124 1.00 72.43 H new ATOM 0 HA ILE A 12 -0.836 -6.286 3.940 1.00 25.35 H new ATOM 0 HB ILE A 12 -2.600 -4.687 5.857 1.00 61.14 H new ATOM 0 HG12 ILE A 12 -2.558 -4.685 2.811 1.00 14.15 H new ATOM 0 HG13 ILE A 12 -3.715 -5.588 3.769 1.00 14.15 H new ATOM 0 HG21 ILE A 12 -1.583 -2.689 4.831 1.00 15.55 H new ATOM 0 HG22 ILE A 12 -0.372 -3.698 5.658 1.00 15.55 H new ATOM 0 HG23 ILE A 12 -0.498 -3.734 3.883 1.00 15.55 H new ATOM 0 HD11 ILE A 12 -4.678 -3.481 2.989 1.00 22.23 H new ATOM 0 HD12 ILE A 12 -4.550 -3.489 4.764 1.00 22.23 H new ATOM 0 HD13 ILE A 12 -3.375 -2.572 3.791 1.00 22.23 H new ATOM 205 N HIS A 13 -0.736 -6.701 7.200 1.00 11.22 N ATOM 206 CA HIS A 13 0.183 -6.833 8.339 1.00 24.41 C ATOM 207 C HIS A 13 1.358 -7.787 8.036 1.00 75.15 C ATOM 208 O HIS A 13 2.410 -7.704 8.670 1.00 52.33 O ATOM 209 CB HIS A 13 -0.564 -7.301 9.597 1.00 62.03 C ATOM 210 CG HIS A 13 -1.353 -6.214 10.273 1.00 24.51 C ATOM 211 ND1 HIS A 13 -0.726 -5.209 10.973 1.00 42.32 N ATOM 212 CD2 HIS A 13 -2.693 -6.020 10.332 1.00 22.25 C ATOM 213 CE1 HIS A 13 -1.688 -4.435 11.438 1.00 42.44 C ATOM 214 NE2 HIS A 13 -2.898 -4.882 11.075 1.00 72.45 N ATOM 0 H HIS A 13 -1.693 -6.998 7.392 1.00 11.22 H new ATOM 0 HA HIS A 13 0.600 -5.842 8.520 1.00 24.41 H new ATOM 0 HB2 HIS A 13 -1.239 -8.113 9.327 1.00 62.03 H new ATOM 0 HB3 HIS A 13 0.157 -7.709 10.306 1.00 62.03 H new ATOM 0 HD2 HIS A 13 -3.454 -6.640 9.882 1.00 22.25 H new ATOM 0 HE1 HIS A 13 -1.521 -3.552 12.036 1.00 42.44 H new ATOM 0 HE2 HIS A 13 -3.797 -4.459 11.306 1.00 72.45 H new ATOM 222 N GLN A 14 1.185 -8.682 7.064 1.00 10.23 N ATOM 223 CA GLN A 14 2.257 -9.610 6.668 1.00 61.32 C ATOM 224 C GLN A 14 3.327 -8.927 5.794 1.00 44.05 C ATOM 225 O GLN A 14 4.412 -9.478 5.596 1.00 34.52 O ATOM 226 CB GLN A 14 1.681 -10.833 5.931 1.00 75.03 C ATOM 227 CG GLN A 14 1.132 -11.924 6.846 1.00 31.35 C ATOM 228 CD GLN A 14 -0.019 -11.457 7.715 1.00 64.34 C ATOM 229 OE1 GLN A 14 0.177 -10.969 8.825 1.00 52.10 O ATOM 230 NE2 GLN A 14 -1.228 -11.615 7.225 1.00 31.33 N ATOM 0 H GLN A 14 0.319 -8.788 6.535 1.00 10.23 H new ATOM 0 HA GLN A 14 2.740 -9.941 7.588 1.00 61.32 H new ATOM 0 HB2 GLN A 14 0.884 -10.499 5.267 1.00 75.03 H new ATOM 0 HB3 GLN A 14 2.461 -11.263 5.302 1.00 75.03 H new ATOM 0 HG2 GLN A 14 0.800 -12.765 6.238 1.00 31.35 H new ATOM 0 HG3 GLN A 14 1.935 -12.290 7.485 1.00 31.35 H new ATOM 0 HE21 GLN A 14 -1.354 -12.024 6.299 1.00 31.33 H new ATOM 0 HE22 GLN A 14 -2.041 -11.329 7.771 1.00 31.33 H new ATOM 239 N ILE A 15 3.025 -7.735 5.278 1.00 44.31 N ATOM 240 CA ILE A 15 3.974 -6.994 4.433 1.00 63.20 C ATOM 241 C ILE A 15 5.100 -6.367 5.280 1.00 71.10 C ATOM 242 O ILE A 15 4.846 -5.474 6.090 1.00 70.13 O ATOM 243 CB ILE A 15 3.268 -5.871 3.625 1.00 61.53 C ATOM 244 CG1 ILE A 15 2.080 -6.440 2.833 1.00 63.54 C ATOM 245 CG2 ILE A 15 4.261 -5.189 2.685 1.00 22.44 C ATOM 246 CD1 ILE A 15 1.312 -5.394 2.051 1.00 62.25 C ATOM 0 H ILE A 15 2.135 -7.260 5.427 1.00 44.31 H new ATOM 0 HA ILE A 15 4.400 -7.716 3.737 1.00 63.20 H new ATOM 0 HB ILE A 15 2.887 -5.128 4.326 1.00 61.53 H new ATOM 0 HG12 ILE A 15 2.446 -7.201 2.143 1.00 63.54 H new ATOM 0 HG13 ILE A 15 1.399 -6.937 3.524 1.00 63.54 H new ATOM 0 HG21 ILE A 15 3.752 -4.404 2.125 1.00 22.44 H new ATOM 0 HG22 ILE A 15 5.072 -4.752 3.267 1.00 22.44 H new ATOM 0 HG23 ILE A 15 4.668 -5.924 1.991 1.00 22.44 H new ATOM 0 HD11 ILE A 15 0.489 -5.870 1.518 1.00 62.25 H new ATOM 0 HD12 ILE A 15 0.915 -4.645 2.737 1.00 62.25 H new ATOM 0 HD13 ILE A 15 1.978 -4.913 1.335 1.00 62.25 H new ATOM 258 N PRO A 16 6.359 -6.831 5.107 1.00 1.42 N ATOM 259 CA PRO A 16 7.515 -6.329 5.878 1.00 12.25 C ATOM 260 C PRO A 16 7.923 -4.888 5.517 1.00 72.22 C ATOM 261 O PRO A 16 7.383 -4.280 4.590 1.00 55.33 O ATOM 262 CB PRO A 16 8.649 -7.313 5.519 1.00 0.21 C ATOM 263 CG PRO A 16 7.978 -8.462 4.837 1.00 62.45 C ATOM 264 CD PRO A 16 6.762 -7.889 4.171 1.00 21.53 C ATOM 0 HA PRO A 16 7.282 -6.284 6.942 1.00 12.25 H new ATOM 0 HB2 PRO A 16 9.384 -6.843 4.865 1.00 0.21 H new ATOM 0 HB3 PRO A 16 9.180 -7.642 6.412 1.00 0.21 H new ATOM 0 HG2 PRO A 16 8.642 -8.925 4.107 1.00 62.45 H new ATOM 0 HG3 PRO A 16 7.703 -9.236 5.554 1.00 62.45 H new ATOM 0 HD2 PRO A 16 6.990 -7.491 3.182 1.00 21.53 H new ATOM 0 HD3 PRO A 16 5.979 -8.637 4.041 1.00 21.53 H new ATOM 272 N LYS A 17 8.898 -4.356 6.255 1.00 23.41 N ATOM 273 CA LYS A 17 9.375 -2.983 6.057 1.00 32.25 C ATOM 274 C LYS A 17 10.100 -2.820 4.712 1.00 32.51 C ATOM 275 O LYS A 17 10.857 -3.701 4.285 1.00 64.13 O ATOM 276 CB LYS A 17 10.310 -2.589 7.210 1.00 32.53 C ATOM 277 CG LYS A 17 10.735 -1.126 7.195 1.00 14.00 C ATOM 278 CD LYS A 17 11.711 -0.804 8.324 1.00 0.43 C ATOM 279 CE LYS A 17 12.067 0.676 8.359 1.00 1.51 C ATOM 280 NZ LYS A 17 13.090 0.977 9.394 1.00 11.32 N ATOM 0 H LYS A 17 9.378 -4.859 7.002 1.00 23.41 H new ATOM 0 HA LYS A 17 8.507 -2.324 6.045 1.00 32.25 H new ATOM 0 HB2 LYS A 17 9.812 -2.802 8.156 1.00 32.53 H new ATOM 0 HB3 LYS A 17 11.201 -3.215 7.171 1.00 32.53 H new ATOM 0 HG2 LYS A 17 11.199 -0.893 6.237 1.00 14.00 H new ATOM 0 HG3 LYS A 17 9.854 -0.491 7.285 1.00 14.00 H new ATOM 0 HD2 LYS A 17 11.272 -1.095 9.278 1.00 0.43 H new ATOM 0 HD3 LYS A 17 12.619 -1.393 8.198 1.00 0.43 H new ATOM 0 HE2 LYS A 17 12.439 0.983 7.381 1.00 1.51 H new ATOM 0 HE3 LYS A 17 11.168 1.261 8.556 1.00 1.51 H new ATOM 0 HZ1 LYS A 17 13.304 1.995 9.385 1.00 11.32 H new ATOM 0 HZ2 LYS A 17 12.726 0.708 10.330 1.00 11.32 H new ATOM 0 HZ3 LYS A 17 13.957 0.439 9.192 1.00 11.32 H new ATOM 294 N GLY A 18 9.863 -1.690 4.047 1.00 64.30 N ATOM 295 CA GLY A 18 10.494 -1.425 2.760 1.00 70.23 C ATOM 296 C GLY A 18 9.990 -2.332 1.640 1.00 63.45 C ATOM 297 O GLY A 18 10.635 -2.459 0.598 1.00 12.23 O ATOM 0 H GLY A 18 9.243 -0.950 4.377 1.00 64.30 H new ATOM 0 HA2 GLY A 18 10.316 -0.386 2.484 1.00 70.23 H new ATOM 0 HA3 GLY A 18 11.572 -1.548 2.860 1.00 70.23 H new ATOM 301 N LYS A 19 8.841 -2.970 1.859 1.00 65.22 N ATOM 302 CA LYS A 19 8.241 -3.867 0.864 1.00 51.41 C ATOM 303 C LYS A 19 6.864 -3.344 0.426 1.00 11.01 C ATOM 304 O LYS A 19 6.095 -2.840 1.243 1.00 53.25 O ATOM 305 CB LYS A 19 8.107 -5.283 1.443 1.00 2.15 C ATOM 306 CG LYS A 19 9.406 -5.833 2.033 1.00 42.33 C ATOM 307 CD LYS A 19 10.518 -5.944 0.988 1.00 32.51 C ATOM 308 CE LYS A 19 11.854 -6.313 1.628 1.00 71.43 C ATOM 309 NZ LYS A 19 12.342 -5.248 2.547 1.00 24.41 N ATOM 0 H LYS A 19 8.302 -2.883 2.721 1.00 65.22 H new ATOM 0 HA LYS A 19 8.893 -3.900 -0.009 1.00 51.41 H new ATOM 0 HB2 LYS A 19 7.340 -5.278 2.218 1.00 2.15 H new ATOM 0 HB3 LYS A 19 7.762 -5.956 0.658 1.00 2.15 H new ATOM 0 HG2 LYS A 19 9.737 -5.185 2.845 1.00 42.33 H new ATOM 0 HG3 LYS A 19 9.218 -6.815 2.466 1.00 42.33 H new ATOM 0 HD2 LYS A 19 10.248 -6.697 0.247 1.00 32.51 H new ATOM 0 HD3 LYS A 19 10.617 -4.996 0.458 1.00 32.51 H new ATOM 0 HE2 LYS A 19 11.747 -7.247 2.179 1.00 71.43 H new ATOM 0 HE3 LYS A 19 12.595 -6.487 0.848 1.00 71.43 H new ATOM 0 HZ1 LYS A 19 13.234 -5.551 2.987 1.00 24.41 H new ATOM 0 HZ2 LYS A 19 12.501 -4.372 2.010 1.00 24.41 H new ATOM 0 HZ3 LYS A 19 11.632 -5.076 3.287 1.00 24.41 H new ATOM 323 N VAL A 20 6.552 -3.470 -0.862 1.00 63.33 N ATOM 324 CA VAL A 20 5.290 -2.958 -1.406 1.00 10.23 C ATOM 325 C VAL A 20 4.459 -4.059 -2.087 1.00 32.32 C ATOM 326 O VAL A 20 4.998 -4.998 -2.682 1.00 13.33 O ATOM 327 CB VAL A 20 5.527 -1.803 -2.417 1.00 50.51 C ATOM 328 CG1 VAL A 20 6.150 -0.586 -1.727 1.00 32.24 C ATOM 329 CG2 VAL A 20 6.397 -2.273 -3.584 1.00 23.31 C ATOM 0 H VAL A 20 7.154 -3.922 -1.551 1.00 63.33 H new ATOM 0 HA VAL A 20 4.731 -2.578 -0.551 1.00 10.23 H new ATOM 0 HB VAL A 20 4.558 -1.501 -2.815 1.00 50.51 H new ATOM 0 HG11 VAL A 20 6.305 0.207 -2.458 1.00 32.24 H new ATOM 0 HG12 VAL A 20 5.482 -0.231 -0.943 1.00 32.24 H new ATOM 0 HG13 VAL A 20 7.107 -0.867 -1.288 1.00 32.24 H new ATOM 0 HG21 VAL A 20 6.550 -1.448 -4.279 1.00 23.31 H new ATOM 0 HG22 VAL A 20 7.361 -2.612 -3.205 1.00 23.31 H new ATOM 0 HG23 VAL A 20 5.901 -3.095 -4.100 1.00 23.31 H new ATOM 339 N SER A 21 3.140 -3.931 -1.986 1.00 61.34 N ATOM 340 CA SER A 21 2.201 -4.836 -2.661 1.00 10.45 C ATOM 341 C SER A 21 1.083 -4.032 -3.337 1.00 44.14 C ATOM 342 O SER A 21 1.047 -2.802 -3.243 1.00 5.44 O ATOM 343 CB SER A 21 1.600 -5.843 -1.666 1.00 34.02 C ATOM 344 OG SER A 21 0.676 -6.714 -2.302 1.00 13.35 O ATOM 0 H SER A 21 2.687 -3.201 -1.437 1.00 61.34 H new ATOM 0 HA SER A 21 2.750 -5.391 -3.422 1.00 10.45 H new ATOM 0 HB2 SER A 21 2.399 -6.428 -1.211 1.00 34.02 H new ATOM 0 HB3 SER A 21 1.100 -5.306 -0.860 1.00 34.02 H new ATOM 0 HG SER A 21 0.313 -7.343 -1.644 1.00 13.35 H new ATOM 350 N THR A 22 0.174 -4.718 -4.020 1.00 41.31 N ATOM 351 CA THR A 22 -0.913 -4.045 -4.746 1.00 15.45 C ATOM 352 C THR A 22 -2.288 -4.383 -4.156 1.00 22.30 C ATOM 353 O THR A 22 -2.496 -5.468 -3.606 1.00 14.02 O ATOM 354 CB THR A 22 -0.909 -4.408 -6.252 1.00 70.25 C ATOM 355 OG1 THR A 22 -1.155 -5.810 -6.428 1.00 55.43 O ATOM 356 CG2 THR A 22 0.424 -4.042 -6.902 1.00 63.23 C ATOM 0 H THR A 22 0.162 -5.735 -4.090 1.00 41.31 H new ATOM 0 HA THR A 22 -0.732 -2.976 -4.636 1.00 15.45 H new ATOM 0 HB THR A 22 -1.702 -3.836 -6.733 1.00 70.25 H new ATOM 0 HG1 THR A 22 -0.380 -6.320 -6.112 1.00 55.43 H new ATOM 0 HG21 THR A 22 0.399 -4.308 -7.959 1.00 63.23 H new ATOM 0 HG22 THR A 22 0.596 -2.970 -6.801 1.00 63.23 H new ATOM 0 HG23 THR A 22 1.230 -4.586 -6.410 1.00 63.23 H new ATOM 364 N TYR A 23 -3.229 -3.443 -4.283 1.00 22.53 N ATOM 365 CA TYR A 23 -4.597 -3.621 -3.766 1.00 75.01 C ATOM 366 C TYR A 23 -5.232 -4.937 -4.246 1.00 1.03 C ATOM 367 O TYR A 23 -5.971 -5.585 -3.503 1.00 61.44 O ATOM 368 CB TYR A 23 -5.479 -2.436 -4.189 1.00 3.11 C ATOM 369 CG TYR A 23 -4.966 -1.095 -3.702 1.00 64.42 C ATOM 370 CD1 TYR A 23 -4.999 -0.768 -2.352 1.00 34.44 C ATOM 371 CD2 TYR A 23 -4.439 -0.162 -4.589 1.00 12.24 C ATOM 372 CE1 TYR A 23 -4.526 0.447 -1.900 1.00 35.12 C ATOM 373 CE2 TYR A 23 -3.962 1.055 -4.142 1.00 61.12 C ATOM 374 CZ TYR A 23 -4.009 1.353 -2.797 1.00 71.13 C ATOM 375 OH TYR A 23 -3.529 2.559 -2.347 1.00 63.12 O ATOM 0 H TYR A 23 -3.071 -2.545 -4.741 1.00 22.53 H new ATOM 0 HA TYR A 23 -4.529 -3.663 -2.679 1.00 75.01 H new ATOM 0 HB2 TYR A 23 -5.549 -2.416 -5.277 1.00 3.11 H new ATOM 0 HB3 TYR A 23 -6.488 -2.590 -3.807 1.00 3.11 H new ATOM 0 HD1 TYR A 23 -5.402 -1.477 -1.644 1.00 34.44 H new ATOM 0 HD2 TYR A 23 -4.402 -0.393 -5.643 1.00 12.24 H new ATOM 0 HE1 TYR A 23 -4.561 0.686 -0.847 1.00 35.12 H new ATOM 0 HE2 TYR A 23 -3.555 1.769 -4.842 1.00 61.12 H new ATOM 0 HH TYR A 23 -2.627 2.437 -1.984 1.00 63.12 H new ATOM 385 N GLY A 24 -4.938 -5.321 -5.488 1.00 12.14 N ATOM 386 CA GLY A 24 -5.458 -6.570 -6.031 1.00 65.31 C ATOM 387 C GLY A 24 -4.990 -7.798 -5.257 1.00 32.15 C ATOM 388 O GLY A 24 -5.805 -8.625 -4.847 1.00 71.01 O ATOM 0 H GLY A 24 -4.349 -4.790 -6.129 1.00 12.14 H new ATOM 0 HA2 GLY A 24 -6.547 -6.537 -6.024 1.00 65.31 H new ATOM 0 HA3 GLY A 24 -5.148 -6.664 -7.072 1.00 65.31 H new ATOM 392 N GLU A 25 -3.679 -7.905 -5.042 1.00 24.12 N ATOM 393 CA GLU A 25 -3.099 -9.031 -4.295 1.00 21.55 C ATOM 394 C GLU A 25 -3.735 -9.158 -2.902 1.00 44.11 C ATOM 395 O GLU A 25 -4.151 -10.244 -2.490 1.00 24.12 O ATOM 396 CB GLU A 25 -1.577 -8.850 -4.165 1.00 73.11 C ATOM 397 CG GLU A 25 -0.843 -8.787 -5.503 1.00 44.13 C ATOM 398 CD GLU A 25 0.642 -8.477 -5.357 1.00 1.55 C ATOM 399 OE1 GLU A 25 0.989 -7.307 -5.076 1.00 40.13 O ATOM 400 OE2 GLU A 25 1.470 -9.394 -5.538 1.00 35.32 O ATOM 0 H GLU A 25 -2.994 -7.226 -5.374 1.00 24.12 H new ATOM 0 HA GLU A 25 -3.306 -9.947 -4.848 1.00 21.55 H new ATOM 0 HB2 GLU A 25 -1.376 -7.934 -3.609 1.00 73.11 H new ATOM 0 HB3 GLU A 25 -1.172 -9.675 -3.578 1.00 73.11 H new ATOM 0 HG2 GLU A 25 -0.960 -9.740 -6.020 1.00 44.13 H new ATOM 0 HG3 GLU A 25 -1.307 -8.025 -6.130 1.00 44.13 H new ATOM 407 N ILE A 26 -3.820 -8.035 -2.192 1.00 65.45 N ATOM 408 CA ILE A 26 -4.408 -8.002 -0.849 1.00 32.35 C ATOM 409 C ILE A 26 -5.887 -8.431 -0.863 1.00 63.41 C ATOM 410 O ILE A 26 -6.288 -9.342 -0.136 1.00 10.53 O ATOM 411 CB ILE A 26 -4.300 -6.584 -0.229 1.00 23.10 C ATOM 412 CG1 ILE A 26 -2.834 -6.120 -0.187 1.00 41.13 C ATOM 413 CG2 ILE A 26 -4.916 -6.554 1.170 1.00 51.05 C ATOM 414 CD1 ILE A 26 -1.924 -7.007 0.639 1.00 35.44 C ATOM 0 H ILE A 26 -3.488 -7.130 -2.524 1.00 65.45 H new ATOM 0 HA ILE A 26 -3.843 -8.710 -0.243 1.00 32.35 H new ATOM 0 HB ILE A 26 -4.859 -5.894 -0.861 1.00 23.10 H new ATOM 0 HG12 ILE A 26 -2.450 -6.074 -1.206 1.00 41.13 H new ATOM 0 HG13 ILE A 26 -2.797 -5.107 0.214 1.00 41.13 H new ATOM 0 HG21 ILE A 26 -4.829 -5.550 1.585 1.00 51.05 H new ATOM 0 HG22 ILE A 26 -5.968 -6.832 1.110 1.00 51.05 H new ATOM 0 HG23 ILE A 26 -4.391 -7.259 1.814 1.00 51.05 H new ATOM 0 HD11 ILE A 26 -0.909 -6.609 0.616 1.00 35.44 H new ATOM 0 HD12 ILE A 26 -2.280 -7.034 1.669 1.00 35.44 H new ATOM 0 HD13 ILE A 26 -1.928 -8.016 0.227 1.00 35.44 H new ATOM 426 N ALA A 27 -6.687 -7.769 -1.700 1.00 44.42 N ATOM 427 CA ALA A 27 -8.127 -8.051 -1.795 1.00 32.25 C ATOM 428 C ALA A 27 -8.410 -9.521 -2.151 1.00 33.10 C ATOM 429 O ALA A 27 -9.223 -10.181 -1.500 1.00 44.45 O ATOM 430 CB ALA A 27 -8.775 -7.122 -2.819 1.00 42.34 C ATOM 0 H ALA A 27 -6.364 -7.031 -2.325 1.00 44.42 H new ATOM 0 HA ALA A 27 -8.562 -7.869 -0.812 1.00 32.25 H new ATOM 0 HB1 ALA A 27 -9.841 -7.338 -2.883 1.00 42.34 H new ATOM 0 HB2 ALA A 27 -8.632 -6.086 -2.512 1.00 42.34 H new ATOM 0 HB3 ALA A 27 -8.314 -7.278 -3.794 1.00 42.34 H new ATOM 436 N LYS A 28 -7.731 -10.030 -3.178 1.00 11.12 N ATOM 437 CA LYS A 28 -7.902 -11.423 -3.613 1.00 74.23 C ATOM 438 C LYS A 28 -7.541 -12.415 -2.492 1.00 70.11 C ATOM 439 O LYS A 28 -8.255 -13.393 -2.264 1.00 62.32 O ATOM 440 CB LYS A 28 -7.049 -11.698 -4.861 1.00 12.01 C ATOM 441 CG LYS A 28 -7.471 -10.880 -6.082 1.00 12.24 C ATOM 442 CD LYS A 28 -6.494 -11.036 -7.248 1.00 3.24 C ATOM 443 CE LYS A 28 -6.431 -12.469 -7.761 1.00 41.12 C ATOM 444 NZ LYS A 28 -7.752 -12.959 -8.234 1.00 24.13 N ATOM 0 H LYS A 28 -7.055 -9.500 -3.728 1.00 11.12 H new ATOM 0 HA LYS A 28 -8.954 -11.568 -3.859 1.00 74.23 H new ATOM 0 HB2 LYS A 28 -6.005 -11.482 -4.632 1.00 12.01 H new ATOM 0 HB3 LYS A 28 -7.109 -12.758 -5.106 1.00 12.01 H new ATOM 0 HG2 LYS A 28 -8.466 -11.192 -6.400 1.00 12.24 H new ATOM 0 HG3 LYS A 28 -7.540 -9.828 -5.806 1.00 12.24 H new ATOM 0 HD2 LYS A 28 -6.793 -10.374 -8.061 1.00 3.24 H new ATOM 0 HD3 LYS A 28 -5.500 -10.722 -6.931 1.00 3.24 H new ATOM 0 HE2 LYS A 28 -5.711 -12.529 -8.577 1.00 41.12 H new ATOM 0 HE3 LYS A 28 -6.068 -13.121 -6.967 1.00 41.12 H new ATOM 0 HZ1 LYS A 28 -7.627 -13.859 -8.741 1.00 24.13 H new ATOM 0 HZ2 LYS A 28 -8.380 -13.105 -7.418 1.00 24.13 H new ATOM 0 HZ3 LYS A 28 -8.174 -12.256 -8.874 1.00 24.13 H new ATOM 458 N MET A 29 -6.441 -12.150 -1.789 1.00 2.43 N ATOM 459 CA MET A 29 -6.011 -13.008 -0.677 1.00 54.04 C ATOM 460 C MET A 29 -6.903 -12.830 0.563 1.00 45.11 C ATOM 461 O MET A 29 -6.954 -13.703 1.432 1.00 41.01 O ATOM 462 CB MET A 29 -4.543 -12.737 -0.325 1.00 75.22 C ATOM 463 CG MET A 29 -3.573 -13.203 -1.403 1.00 41.12 C ATOM 464 SD MET A 29 -1.843 -13.050 -0.906 1.00 22.11 S ATOM 465 CE MET A 29 -1.668 -11.270 -0.797 1.00 73.45 C ATOM 0 H MET A 29 -5.831 -11.352 -1.966 1.00 2.43 H new ATOM 0 HA MET A 29 -6.111 -14.042 -1.006 1.00 54.04 H new ATOM 0 HB2 MET A 29 -4.407 -11.668 -0.160 1.00 75.22 H new ATOM 0 HB3 MET A 29 -4.302 -13.238 0.613 1.00 75.22 H new ATOM 0 HG2 MET A 29 -3.784 -14.244 -1.650 1.00 41.12 H new ATOM 0 HG3 MET A 29 -3.738 -12.621 -2.310 1.00 41.12 H new ATOM 0 HE1 MET A 29 -0.861 -10.943 -1.453 1.00 73.45 H new ATOM 0 HE2 MET A 29 -2.600 -10.793 -1.102 1.00 73.45 H new ATOM 0 HE3 MET A 29 -1.436 -10.989 0.230 1.00 73.45 H new ATOM 475 N ALA A 30 -7.591 -11.695 0.650 1.00 54.04 N ATOM 476 CA ALA A 30 -8.558 -11.457 1.726 1.00 41.40 C ATOM 477 C ALA A 30 -9.910 -12.118 1.414 1.00 73.03 C ATOM 478 O ALA A 30 -10.655 -12.496 2.320 1.00 44.42 O ATOM 479 CB ALA A 30 -8.740 -9.961 1.952 1.00 33.25 C ATOM 0 H ALA A 30 -7.499 -10.923 -0.010 1.00 54.04 H new ATOM 0 HA ALA A 30 -8.165 -11.907 2.638 1.00 41.40 H new ATOM 0 HB1 ALA A 30 -9.461 -9.799 2.754 1.00 33.25 H new ATOM 0 HB2 ALA A 30 -7.784 -9.516 2.228 1.00 33.25 H new ATOM 0 HB3 ALA A 30 -9.106 -9.497 1.036 1.00 33.25 H new ATOM 485 N GLY A 31 -10.217 -12.255 0.124 1.00 10.15 N ATOM 486 CA GLY A 31 -11.469 -12.880 -0.296 1.00 11.33 C ATOM 487 C GLY A 31 -12.500 -11.883 -0.823 1.00 12.10 C ATOM 488 O GLY A 31 -13.707 -12.111 -0.705 1.00 74.34 O ATOM 0 H GLY A 31 -9.620 -11.944 -0.642 1.00 10.15 H new ATOM 0 HA2 GLY A 31 -11.257 -13.615 -1.072 1.00 11.33 H new ATOM 0 HA3 GLY A 31 -11.897 -13.421 0.548 1.00 11.33 H new ATOM 492 N TYR A 32 -12.027 -10.771 -1.397 1.00 20.21 N ATOM 493 CA TYR A 32 -12.908 -9.738 -1.967 1.00 72.44 C ATOM 494 C TYR A 32 -12.409 -9.284 -3.356 1.00 61.31 C ATOM 495 O TYR A 32 -11.761 -8.242 -3.487 1.00 74.54 O ATOM 496 CB TYR A 32 -12.996 -8.526 -1.022 1.00 55.40 C ATOM 497 CG TYR A 32 -13.491 -8.858 0.378 1.00 33.04 C ATOM 498 CD1 TYR A 32 -12.604 -9.237 1.384 1.00 43.11 C ATOM 499 CD2 TYR A 32 -14.846 -8.790 0.695 1.00 1.24 C ATOM 500 CE1 TYR A 32 -13.053 -9.537 2.655 1.00 24.40 C ATOM 501 CE2 TYR A 32 -15.297 -9.089 1.967 1.00 62.44 C ATOM 502 CZ TYR A 32 -14.398 -9.462 2.940 1.00 72.44 C ATOM 503 OH TYR A 32 -14.845 -9.765 4.208 1.00 23.30 O ATOM 0 H TYR A 32 -11.033 -10.560 -1.481 1.00 20.21 H new ATOM 0 HA TYR A 32 -13.900 -10.174 -2.083 1.00 72.44 H new ATOM 0 HB2 TYR A 32 -12.010 -8.067 -0.947 1.00 55.40 H new ATOM 0 HB3 TYR A 32 -13.661 -7.784 -1.463 1.00 55.40 H new ATOM 0 HD1 TYR A 32 -11.548 -9.297 1.166 1.00 43.11 H new ATOM 0 HD2 TYR A 32 -15.556 -8.499 -0.065 1.00 1.24 H new ATOM 0 HE1 TYR A 32 -12.352 -9.829 3.423 1.00 24.40 H new ATOM 0 HE2 TYR A 32 -16.351 -9.030 2.196 1.00 62.44 H new ATOM 0 HH TYR A 32 -15.819 -9.662 4.245 1.00 23.30 H new ATOM 513 N PRO A 33 -12.697 -10.067 -4.414 1.00 32.02 N ATOM 514 CA PRO A 33 -12.250 -9.742 -5.782 1.00 74.32 C ATOM 515 C PRO A 33 -12.963 -8.504 -6.360 1.00 4.14 C ATOM 516 O PRO A 33 -14.195 -8.429 -6.374 1.00 32.10 O ATOM 517 CB PRO A 33 -12.607 -11.005 -6.581 1.00 21.51 C ATOM 518 CG PRO A 33 -13.731 -11.628 -5.821 1.00 0.14 C ATOM 519 CD PRO A 33 -13.474 -11.321 -4.368 1.00 22.04 C ATOM 0 HA PRO A 33 -11.190 -9.488 -5.816 1.00 74.32 H new ATOM 0 HB2 PRO A 33 -12.906 -10.758 -7.600 1.00 21.51 H new ATOM 0 HB3 PRO A 33 -11.755 -11.681 -6.654 1.00 21.51 H new ATOM 0 HG2 PRO A 33 -14.690 -11.222 -6.141 1.00 0.14 H new ATOM 0 HG3 PRO A 33 -13.768 -12.704 -5.991 1.00 0.14 H new ATOM 0 HD2 PRO A 33 -14.404 -11.197 -3.813 1.00 22.04 H new ATOM 0 HD3 PRO A 33 -12.917 -12.121 -3.881 1.00 22.04 H new ATOM 527 N GLY A 34 -12.184 -7.533 -6.834 1.00 21.11 N ATOM 528 CA GLY A 34 -12.756 -6.306 -7.389 1.00 73.14 C ATOM 529 C GLY A 34 -12.835 -5.167 -6.378 1.00 51.05 C ATOM 530 O GLY A 34 -12.862 -3.994 -6.750 1.00 24.43 O ATOM 0 H GLY A 34 -11.165 -7.570 -6.846 1.00 21.11 H new ATOM 0 HA2 GLY A 34 -12.155 -5.986 -8.240 1.00 73.14 H new ATOM 0 HA3 GLY A 34 -13.756 -6.518 -7.766 1.00 73.14 H new ATOM 534 N TYR A 35 -12.846 -5.509 -5.091 1.00 24.01 N ATOM 535 CA TYR A 35 -12.938 -4.509 -4.020 1.00 72.51 C ATOM 536 C TYR A 35 -11.590 -3.815 -3.749 1.00 32.22 C ATOM 537 O TYR A 35 -11.442 -3.099 -2.758 1.00 42.45 O ATOM 538 CB TYR A 35 -13.471 -5.159 -2.734 1.00 52.02 C ATOM 539 CG TYR A 35 -14.969 -5.410 -2.755 1.00 31.34 C ATOM 540 CD1 TYR A 35 -15.507 -6.530 -3.383 1.00 4.13 C ATOM 541 CD2 TYR A 35 -15.847 -4.513 -2.153 1.00 30.02 C ATOM 542 CE1 TYR A 35 -16.874 -6.745 -3.410 1.00 51.21 C ATOM 543 CE2 TYR A 35 -17.211 -4.724 -2.173 1.00 55.22 C ATOM 544 CZ TYR A 35 -17.719 -5.839 -2.802 1.00 41.42 C ATOM 545 OH TYR A 35 -19.082 -6.041 -2.829 1.00 1.23 O ATOM 0 H TYR A 35 -12.792 -6.472 -4.760 1.00 24.01 H new ATOM 0 HA TYR A 35 -13.634 -3.739 -4.354 1.00 72.51 H new ATOM 0 HB2 TYR A 35 -12.955 -6.106 -2.574 1.00 52.02 H new ATOM 0 HB3 TYR A 35 -13.230 -4.518 -1.886 1.00 52.02 H new ATOM 0 HD1 TYR A 35 -14.847 -7.242 -3.856 1.00 4.13 H new ATOM 0 HD2 TYR A 35 -15.454 -3.636 -1.661 1.00 30.02 H new ATOM 0 HE1 TYR A 35 -17.277 -7.617 -3.904 1.00 51.21 H new ATOM 0 HE2 TYR A 35 -17.876 -4.018 -1.698 1.00 55.22 H new ATOM 0 HH TYR A 35 -19.530 -5.311 -2.354 1.00 1.23 H new ATOM 555 N ALA A 36 -10.626 -4.011 -4.648 1.00 14.34 N ATOM 556 CA ALA A 36 -9.308 -3.369 -4.546 1.00 45.50 C ATOM 557 C ALA A 36 -9.428 -1.848 -4.338 1.00 43.15 C ATOM 558 O ALA A 36 -8.734 -1.264 -3.502 1.00 10.42 O ATOM 559 CB ALA A 36 -8.492 -3.668 -5.798 1.00 63.11 C ATOM 0 H ALA A 36 -10.731 -4.614 -5.464 1.00 14.34 H new ATOM 0 HA ALA A 36 -8.800 -3.779 -3.673 1.00 45.50 H new ATOM 0 HB1 ALA A 36 -7.515 -3.190 -5.719 1.00 63.11 H new ATOM 0 HB2 ALA A 36 -8.362 -4.745 -5.899 1.00 63.11 H new ATOM 0 HB3 ALA A 36 -9.014 -3.282 -6.673 1.00 63.11 H new ATOM 565 N ARG A 37 -10.317 -1.217 -5.104 1.00 23.13 N ATOM 566 CA ARG A 37 -10.580 0.224 -4.969 1.00 11.11 C ATOM 567 C ARG A 37 -11.048 0.593 -3.547 1.00 33.31 C ATOM 568 O ARG A 37 -10.645 1.623 -3.001 1.00 72.11 O ATOM 569 CB ARG A 37 -11.631 0.669 -5.997 1.00 74.40 C ATOM 570 CG ARG A 37 -12.944 -0.099 -5.900 1.00 32.34 C ATOM 571 CD ARG A 37 -13.942 0.330 -6.968 1.00 42.50 C ATOM 572 NE ARG A 37 -15.156 -0.485 -6.937 1.00 52.52 N ATOM 573 CZ ARG A 37 -15.325 -1.568 -7.648 1.00 53.45 C ATOM 574 NH1 ARG A 37 -14.378 -2.000 -8.421 1.00 54.44 N ATOM 575 NH2 ARG A 37 -16.433 -2.230 -7.573 1.00 24.22 N ATOM 0 H ARG A 37 -10.870 -1.677 -5.827 1.00 23.13 H new ATOM 0 HA ARG A 37 -9.642 0.747 -5.156 1.00 11.11 H new ATOM 0 HB2 ARG A 37 -11.831 1.732 -5.863 1.00 74.40 H new ATOM 0 HB3 ARG A 37 -11.221 0.546 -6.999 1.00 74.40 H new ATOM 0 HG2 ARG A 37 -12.747 -1.167 -5.998 1.00 32.34 H new ATOM 0 HG3 ARG A 37 -13.381 0.055 -4.914 1.00 32.34 H new ATOM 0 HD2 ARG A 37 -14.204 1.378 -6.821 1.00 42.50 H new ATOM 0 HD3 ARG A 37 -13.478 0.253 -7.951 1.00 42.50 H new ATOM 0 HE ARG A 37 -15.916 -0.190 -6.324 1.00 52.52 H new ATOM 0 HH11 ARG A 37 -13.494 -1.494 -8.477 1.00 54.44 H new ATOM 0 HH12 ARG A 37 -14.517 -2.846 -8.973 1.00 54.44 H new ATOM 0 HH21 ARG A 37 -17.179 -1.907 -6.957 1.00 24.22 H new ATOM 0 HH22 ARG A 37 -16.561 -3.075 -8.130 1.00 24.22 H new ATOM 589 N HIS A 38 -11.888 -0.255 -2.951 1.00 35.25 N ATOM 590 CA HIS A 38 -12.410 -0.012 -1.600 1.00 10.04 C ATOM 591 C HIS A 38 -11.310 -0.189 -0.545 1.00 14.22 C ATOM 592 O HIS A 38 -11.287 0.518 0.463 1.00 64.34 O ATOM 593 CB HIS A 38 -13.592 -0.943 -1.308 1.00 14.15 C ATOM 594 CG HIS A 38 -14.748 -0.742 -2.240 1.00 31.43 C ATOM 595 ND1 HIS A 38 -15.077 -1.420 -3.364 1.00 15.22 N flip ATOM 596 CD2 HIS A 38 -15.671 0.253 -2.035 1.00 10.33 C flip ATOM 597 CE1 HIS A 38 -16.215 -0.840 -3.861 1.00 60.24 C flip ATOM 598 NE2 HIS A 38 -16.533 0.160 -3.031 1.00 25.34 N flip ATOM 0 H HIS A 38 -12.223 -1.117 -3.381 1.00 35.25 H new ATOM 0 HA HIS A 38 -12.760 1.019 -1.551 1.00 10.04 H new ATOM 0 HB2 HIS A 38 -13.256 -1.978 -1.375 1.00 14.15 H new ATOM 0 HB3 HIS A 38 -13.928 -0.782 -0.284 1.00 14.15 H new ATOM 0 HD2 HIS A 38 -15.689 0.966 -1.224 1.00 10.33 H new ATOM 0 HE1 HIS A 38 -16.752 -1.134 -4.751 1.00 60.24 H new ATOM 0 HE2 HIS A 38 -17.339 0.773 -3.152 1.00 25.34 H new ATOM 606 N VAL A 39 -10.397 -1.129 -0.786 1.00 53.32 N ATOM 607 CA VAL A 39 -9.213 -1.286 0.067 1.00 22.14 C ATOM 608 C VAL A 39 -8.404 0.021 0.101 1.00 54.44 C ATOM 609 O VAL A 39 -7.958 0.467 1.160 1.00 72.11 O ATOM 610 CB VAL A 39 -8.302 -2.440 -0.430 1.00 11.01 C ATOM 611 CG1 VAL A 39 -7.080 -2.610 0.474 1.00 53.34 C ATOM 612 CG2 VAL A 39 -9.091 -3.744 -0.532 1.00 30.42 C ATOM 0 H VAL A 39 -10.451 -1.791 -1.560 1.00 53.32 H new ATOM 0 HA VAL A 39 -9.563 -1.530 1.070 1.00 22.14 H new ATOM 0 HB VAL A 39 -7.943 -2.179 -1.426 1.00 11.01 H new ATOM 0 HG11 VAL A 39 -6.461 -3.426 0.100 1.00 53.34 H new ATOM 0 HG12 VAL A 39 -6.500 -1.687 0.479 1.00 53.34 H new ATOM 0 HG13 VAL A 39 -7.407 -2.838 1.488 1.00 53.34 H new ATOM 0 HG21 VAL A 39 -8.434 -4.540 -0.882 1.00 30.42 H new ATOM 0 HG22 VAL A 39 -9.489 -4.006 0.448 1.00 30.42 H new ATOM 0 HG23 VAL A 39 -9.914 -3.617 -1.235 1.00 30.42 H new ATOM 622 N GLY A 40 -8.242 0.637 -1.075 1.00 54.12 N ATOM 623 CA GLY A 40 -7.574 1.933 -1.171 1.00 44.14 C ATOM 624 C GLY A 40 -8.281 3.025 -0.377 1.00 33.40 C ATOM 625 O GLY A 40 -7.632 3.872 0.238 1.00 13.20 O ATOM 0 H GLY A 40 -8.563 0.259 -1.967 1.00 54.12 H new ATOM 0 HA2 GLY A 40 -6.549 1.835 -0.812 1.00 44.14 H new ATOM 0 HA3 GLY A 40 -7.518 2.231 -2.218 1.00 44.14 H new ATOM 629 N LYS A 41 -9.615 3.010 -0.389 1.00 32.31 N ATOM 630 CA LYS A 41 -10.407 3.951 0.414 1.00 44.32 C ATOM 631 C LYS A 41 -10.137 3.753 1.914 1.00 53.25 C ATOM 632 O LYS A 41 -9.907 4.714 2.649 1.00 23.31 O ATOM 633 CB LYS A 41 -11.908 3.774 0.142 1.00 63.21 C ATOM 634 CG LYS A 41 -12.317 4.031 -1.306 1.00 44.21 C ATOM 635 CD LYS A 41 -13.825 3.879 -1.503 1.00 50.24 C ATOM 636 CE LYS A 41 -14.612 4.842 -0.618 1.00 71.44 C ATOM 637 NZ LYS A 41 -16.080 4.697 -0.794 1.00 4.02 N ATOM 0 H LYS A 41 -10.171 2.359 -0.944 1.00 32.31 H new ATOM 0 HA LYS A 41 -10.108 4.959 0.127 1.00 44.32 H new ATOM 0 HB2 LYS A 41 -12.198 2.759 0.415 1.00 63.21 H new ATOM 0 HB3 LYS A 41 -12.465 4.450 0.790 1.00 63.21 H new ATOM 0 HG2 LYS A 41 -12.011 5.036 -1.598 1.00 44.21 H new ATOM 0 HG3 LYS A 41 -11.792 3.336 -1.961 1.00 44.21 H new ATOM 0 HD2 LYS A 41 -14.075 4.059 -2.549 1.00 50.24 H new ATOM 0 HD3 LYS A 41 -14.120 2.854 -1.277 1.00 50.24 H new ATOM 0 HE2 LYS A 41 -14.354 4.665 0.426 1.00 71.44 H new ATOM 0 HE3 LYS A 41 -14.320 5.866 -0.850 1.00 71.44 H new ATOM 0 HZ1 LYS A 41 -16.572 5.371 -0.173 1.00 4.02 H new ATOM 0 HZ2 LYS A 41 -16.332 4.891 -1.784 1.00 4.02 H new ATOM 0 HZ3 LYS A 41 -16.365 3.728 -0.548 1.00 4.02 H new ATOM 651 N ALA A 42 -10.166 2.492 2.353 1.00 11.25 N ATOM 652 CA ALA A 42 -9.908 2.142 3.753 1.00 54.51 C ATOM 653 C ALA A 42 -8.515 2.605 4.206 1.00 61.50 C ATOM 654 O ALA A 42 -8.358 3.184 5.280 1.00 65.05 O ATOM 655 CB ALA A 42 -10.058 0.638 3.947 1.00 51.42 C ATOM 0 H ALA A 42 -10.367 1.691 1.754 1.00 11.25 H new ATOM 0 HA ALA A 42 -10.641 2.660 4.371 1.00 54.51 H new ATOM 0 HB1 ALA A 42 -9.865 0.385 4.989 1.00 51.42 H new ATOM 0 HB2 ALA A 42 -11.071 0.336 3.682 1.00 51.42 H new ATOM 0 HB3 ALA A 42 -9.345 0.116 3.309 1.00 51.42 H new ATOM 661 N LEU A 43 -7.506 2.351 3.375 1.00 3.42 N ATOM 662 CA LEU A 43 -6.136 2.778 3.671 1.00 1.14 C ATOM 663 C LEU A 43 -6.000 4.310 3.606 1.00 60.24 C ATOM 664 O LEU A 43 -5.304 4.917 4.417 1.00 34.13 O ATOM 665 CB LEU A 43 -5.153 2.111 2.701 1.00 34.52 C ATOM 666 CG LEU A 43 -5.123 0.570 2.752 1.00 13.21 C ATOM 667 CD1 LEU A 43 -4.017 0.016 1.857 1.00 1.35 C ATOM 668 CD2 LEU A 43 -4.955 0.077 4.188 1.00 25.35 C ATOM 0 H LEU A 43 -7.609 1.852 2.491 1.00 3.42 H new ATOM 0 HA LEU A 43 -5.897 2.466 4.688 1.00 1.14 H new ATOM 0 HB2 LEU A 43 -5.403 2.420 1.686 1.00 34.52 H new ATOM 0 HB3 LEU A 43 -4.151 2.485 2.910 1.00 34.52 H new ATOM 0 HG LEU A 43 -6.078 0.202 2.376 1.00 13.21 H new ATOM 0 HD11 LEU A 43 -4.017 -1.073 1.911 1.00 1.35 H new ATOM 0 HD12 LEU A 43 -4.191 0.329 0.827 1.00 1.35 H new ATOM 0 HD13 LEU A 43 -3.052 0.396 2.193 1.00 1.35 H new ATOM 0 HD21 LEU A 43 -4.937 -1.013 4.199 1.00 25.35 H new ATOM 0 HD22 LEU A 43 -4.020 0.460 4.597 1.00 25.35 H new ATOM 0 HD23 LEU A 43 -5.788 0.432 4.794 1.00 25.35 H new ATOM 680 N GLY A 44 -6.683 4.928 2.641 1.00 31.30 N ATOM 681 CA GLY A 44 -6.688 6.386 2.529 1.00 70.20 C ATOM 682 C GLY A 44 -7.415 7.073 3.684 1.00 70.21 C ATOM 683 O GLY A 44 -7.281 8.282 3.887 1.00 51.13 O ATOM 0 H GLY A 44 -7.235 4.446 1.932 1.00 31.30 H new ATOM 0 HA2 GLY A 44 -5.660 6.745 2.490 1.00 70.20 H new ATOM 0 HA3 GLY A 44 -7.161 6.671 1.589 1.00 70.20 H new ATOM 687 N ASN A 45 -8.202 6.300 4.429 1.00 72.20 N ATOM 688 CA ASN A 45 -8.889 6.801 5.622 1.00 24.33 C ATOM 689 C ASN A 45 -7.904 6.924 6.801 1.00 12.13 C ATOM 690 O ASN A 45 -8.116 7.707 7.732 1.00 52.03 O ATOM 691 CB ASN A 45 -10.045 5.856 5.987 1.00 13.14 C ATOM 692 CG ASN A 45 -10.945 6.403 7.080 1.00 12.20 C ATOM 693 OD1 ASN A 45 -10.697 6.212 8.265 1.00 53.34 O ATOM 694 ND2 ASN A 45 -12.005 7.084 6.691 1.00 74.35 N ATOM 0 H ASN A 45 -8.382 5.317 4.227 1.00 72.20 H new ATOM 0 HA ASN A 45 -9.291 7.792 5.410 1.00 24.33 H new ATOM 0 HB2 ASN A 45 -10.643 5.663 5.096 1.00 13.14 H new ATOM 0 HB3 ASN A 45 -9.635 4.899 6.309 1.00 13.14 H new ATOM 0 HD21 ASN A 45 -12.646 7.469 7.384 1.00 74.35 H new ATOM 0 HD22 ASN A 45 -12.184 7.226 5.697 1.00 74.35 H new ATOM 701 N LEU A 46 -6.815 6.160 6.733 1.00 30.31 N ATOM 702 CA LEU A 46 -5.801 6.131 7.793 1.00 11.11 C ATOM 703 C LEU A 46 -4.820 7.315 7.685 1.00 34.33 C ATOM 704 O LEU A 46 -4.470 7.749 6.585 1.00 1.24 O ATOM 705 CB LEU A 46 -5.017 4.811 7.722 1.00 35.41 C ATOM 706 CG LEU A 46 -5.852 3.534 7.919 1.00 52.43 C ATOM 707 CD1 LEU A 46 -5.017 2.289 7.626 1.00 53.33 C ATOM 708 CD2 LEU A 46 -6.421 3.476 9.337 1.00 72.13 C ATOM 0 H LEU A 46 -6.608 5.545 5.946 1.00 30.31 H new ATOM 0 HA LEU A 46 -6.320 6.212 8.748 1.00 11.11 H new ATOM 0 HB2 LEU A 46 -4.522 4.754 6.753 1.00 35.41 H new ATOM 0 HB3 LEU A 46 -4.234 4.833 8.480 1.00 35.41 H new ATOM 0 HG LEU A 46 -6.684 3.561 7.215 1.00 52.43 H new ATOM 0 HD11 LEU A 46 -5.628 1.398 7.772 1.00 53.33 H new ATOM 0 HD12 LEU A 46 -4.664 2.322 6.595 1.00 53.33 H new ATOM 0 HD13 LEU A 46 -4.162 2.257 8.301 1.00 53.33 H new ATOM 0 HD21 LEU A 46 -7.008 2.566 9.456 1.00 72.13 H new ATOM 0 HD22 LEU A 46 -5.603 3.477 10.058 1.00 72.13 H new ATOM 0 HD23 LEU A 46 -7.058 4.344 9.509 1.00 72.13 H new ATOM 720 N PRO A 47 -4.371 7.863 8.832 1.00 60.12 N ATOM 721 CA PRO A 47 -3.349 8.916 8.861 1.00 2.22 C ATOM 722 C PRO A 47 -1.916 8.350 8.861 1.00 53.33 C ATOM 723 O PRO A 47 -1.708 7.137 8.791 1.00 41.54 O ATOM 724 CB PRO A 47 -3.652 9.621 10.186 1.00 33.04 C ATOM 725 CG PRO A 47 -4.133 8.524 11.082 1.00 23.50 C ATOM 726 CD PRO A 47 -4.839 7.520 10.193 1.00 15.24 C ATOM 0 HA PRO A 47 -3.386 9.563 7.985 1.00 2.22 H new ATOM 0 HB2 PRO A 47 -2.764 10.106 10.591 1.00 33.04 H new ATOM 0 HB3 PRO A 47 -4.409 10.395 10.062 1.00 33.04 H new ATOM 0 HG2 PRO A 47 -3.299 8.058 11.607 1.00 23.50 H new ATOM 0 HG3 PRO A 47 -4.811 8.913 11.842 1.00 23.50 H new ATOM 0 HD2 PRO A 47 -4.577 6.496 10.460 1.00 15.24 H new ATOM 0 HD3 PRO A 47 -5.923 7.604 10.276 1.00 15.24 H new ATOM 734 N GLU A 48 -0.924 9.235 8.955 1.00 52.04 N ATOM 735 CA GLU A 48 0.482 8.811 8.994 1.00 64.21 C ATOM 736 C GLU A 48 0.828 8.080 10.310 1.00 74.04 C ATOM 737 O GLU A 48 1.771 7.285 10.360 1.00 62.32 O ATOM 738 CB GLU A 48 1.422 10.015 8.751 1.00 53.11 C ATOM 739 CG GLU A 48 0.969 11.335 9.381 1.00 10.43 C ATOM 740 CD GLU A 48 0.884 11.288 10.894 1.00 64.25 C ATOM 741 OE1 GLU A 48 1.937 11.403 11.556 1.00 70.40 O ATOM 742 OE2 GLU A 48 -0.230 11.124 11.430 1.00 33.21 O ATOM 0 H GLU A 48 -1.063 10.244 9.005 1.00 52.04 H new ATOM 0 HA GLU A 48 0.633 8.094 8.187 1.00 64.21 H new ATOM 0 HB2 GLU A 48 2.411 9.767 9.138 1.00 53.11 H new ATOM 0 HB3 GLU A 48 1.528 10.162 7.676 1.00 53.11 H new ATOM 0 HG2 GLU A 48 1.662 12.124 9.089 1.00 10.43 H new ATOM 0 HG3 GLU A 48 -0.008 11.604 8.979 1.00 10.43 H new ATOM 749 N GLY A 49 0.055 8.343 11.364 1.00 74.23 N ATOM 750 CA GLY A 49 0.257 7.670 12.649 1.00 21.42 C ATOM 751 C GLY A 49 -0.543 6.373 12.789 1.00 51.32 C ATOM 752 O GLY A 49 -1.085 6.076 13.856 1.00 61.50 O ATOM 0 H GLY A 49 -0.713 9.014 11.355 1.00 74.23 H new ATOM 0 HA2 GLY A 49 1.317 7.449 12.772 1.00 21.42 H new ATOM 0 HA3 GLY A 49 -0.023 8.349 13.454 1.00 21.42 H new ATOM 756 N SER A 50 -0.625 5.601 11.707 1.00 11.14 N ATOM 757 CA SER A 50 -1.319 4.305 11.722 1.00 64.43 C ATOM 758 C SER A 50 -0.348 3.152 12.025 1.00 51.15 C ATOM 759 O SER A 50 0.787 3.142 11.542 1.00 45.12 O ATOM 760 CB SER A 50 -2.003 4.060 10.368 1.00 24.44 C ATOM 761 OG SER A 50 -2.611 2.777 10.314 1.00 22.55 O ATOM 0 H SER A 50 -0.220 5.847 10.804 1.00 11.14 H new ATOM 0 HA SER A 50 -2.069 4.337 12.513 1.00 64.43 H new ATOM 0 HB2 SER A 50 -2.757 4.828 10.196 1.00 24.44 H new ATOM 0 HB3 SER A 50 -1.269 4.149 9.567 1.00 24.44 H new ATOM 0 HG SER A 50 -2.071 2.182 9.753 1.00 22.55 H new ATOM 767 N LYS A 51 -0.793 2.185 12.831 1.00 61.32 N ATOM 768 CA LYS A 51 0.007 0.987 13.122 1.00 41.21 C ATOM 769 C LYS A 51 0.051 0.066 11.896 1.00 10.01 C ATOM 770 O LYS A 51 1.095 -0.497 11.556 1.00 65.54 O ATOM 771 CB LYS A 51 -0.572 0.232 14.328 1.00 44.45 C ATOM 772 CG LYS A 51 0.226 -1.011 14.714 1.00 60.23 C ATOM 773 CD LYS A 51 -0.334 -1.696 15.957 1.00 1.31 C ATOM 774 CE LYS A 51 0.523 -2.887 16.374 1.00 71.40 C ATOM 775 NZ LYS A 51 0.030 -3.522 17.626 1.00 75.23 N ATOM 0 H LYS A 51 -1.701 2.206 13.294 1.00 61.32 H new ATOM 0 HA LYS A 51 1.022 1.302 13.363 1.00 41.21 H new ATOM 0 HB2 LYS A 51 -0.612 0.907 15.183 1.00 44.45 H new ATOM 0 HB3 LYS A 51 -1.598 -0.061 14.104 1.00 44.45 H new ATOM 0 HG2 LYS A 51 0.223 -1.715 13.882 1.00 60.23 H new ATOM 0 HG3 LYS A 51 1.265 -0.732 14.892 1.00 60.23 H new ATOM 0 HD2 LYS A 51 -0.386 -0.979 16.776 1.00 1.31 H new ATOM 0 HD3 LYS A 51 -1.353 -2.030 15.761 1.00 1.31 H new ATOM 0 HE2 LYS A 51 0.531 -3.626 15.572 1.00 71.40 H new ATOM 0 HE3 LYS A 51 1.553 -2.560 16.516 1.00 71.40 H new ATOM 0 HZ1 LYS A 51 0.642 -4.326 17.872 1.00 75.23 H new ATOM 0 HZ2 LYS A 51 0.047 -2.826 18.398 1.00 75.23 H new ATOM 0 HZ3 LYS A 51 -0.944 -3.859 17.484 1.00 75.23 H new ATOM 789 N LEU A 52 -1.099 -0.084 11.249 1.00 50.23 N ATOM 790 CA LEU A 52 -1.196 -0.813 9.987 1.00 53.23 C ATOM 791 C LEU A 52 -0.453 -0.066 8.870 1.00 24.04 C ATOM 792 O LEU A 52 -0.802 1.074 8.543 1.00 50.43 O ATOM 793 CB LEU A 52 -2.668 -0.976 9.591 1.00 31.43 C ATOM 794 CG LEU A 52 -2.913 -1.606 8.209 1.00 12.11 C ATOM 795 CD1 LEU A 52 -2.566 -3.092 8.213 1.00 1.32 C ATOM 796 CD2 LEU A 52 -4.352 -1.381 7.764 1.00 23.12 C ATOM 0 H LEU A 52 -1.987 0.293 11.581 1.00 50.23 H new ATOM 0 HA LEU A 52 -0.739 -1.793 10.123 1.00 53.23 H new ATOM 0 HB2 LEU A 52 -3.164 -1.589 10.344 1.00 31.43 H new ATOM 0 HB3 LEU A 52 -3.144 0.004 9.614 1.00 31.43 H new ATOM 0 HG LEU A 52 -2.255 -1.115 7.492 1.00 12.11 H new ATOM 0 HD11 LEU A 52 -2.749 -3.511 7.224 1.00 1.32 H new ATOM 0 HD12 LEU A 52 -1.515 -3.220 8.472 1.00 1.32 H new ATOM 0 HD13 LEU A 52 -3.186 -3.608 8.946 1.00 1.32 H new ATOM 0 HD21 LEU A 52 -4.505 -1.834 6.784 1.00 23.12 H new ATOM 0 HD22 LEU A 52 -5.031 -1.837 8.485 1.00 23.12 H new ATOM 0 HD23 LEU A 52 -4.551 -0.311 7.704 1.00 23.12 H new ATOM 808 N PRO A 53 0.582 -0.682 8.266 1.00 3.01 N ATOM 809 CA PRO A 53 1.302 -0.053 7.156 1.00 4.44 C ATOM 810 C PRO A 53 0.444 0.022 5.883 1.00 40.40 C ATOM 811 O PRO A 53 0.393 -0.914 5.088 1.00 5.21 O ATOM 812 CB PRO A 53 2.517 -0.973 6.954 1.00 34.53 C ATOM 813 CG PRO A 53 2.079 -2.302 7.480 1.00 11.53 C ATOM 814 CD PRO A 53 1.131 -2.010 8.614 1.00 32.03 C ATOM 0 HA PRO A 53 1.576 0.980 7.369 1.00 4.44 H new ATOM 0 HB2 PRO A 53 2.795 -1.036 5.902 1.00 34.53 H new ATOM 0 HB3 PRO A 53 3.389 -0.602 7.493 1.00 34.53 H new ATOM 0 HG2 PRO A 53 1.588 -2.887 6.702 1.00 11.53 H new ATOM 0 HG3 PRO A 53 2.933 -2.885 7.826 1.00 11.53 H new ATOM 0 HD2 PRO A 53 0.346 -2.763 8.686 1.00 32.03 H new ATOM 0 HD3 PRO A 53 1.646 -1.993 9.574 1.00 32.03 H new ATOM 822 N TRP A 54 -0.217 1.159 5.693 1.00 53.34 N ATOM 823 CA TRP A 54 -1.073 1.379 4.522 1.00 50.34 C ATOM 824 C TRP A 54 -0.252 1.874 3.327 1.00 34.22 C ATOM 825 O TRP A 54 -0.536 1.554 2.174 1.00 70.53 O ATOM 826 CB TRP A 54 -2.179 2.388 4.869 1.00 42.11 C ATOM 827 CG TRP A 54 -1.672 3.699 5.399 1.00 53.33 C ATOM 828 CD1 TRP A 54 -1.345 3.987 6.694 1.00 11.10 C ATOM 829 CD2 TRP A 54 -1.438 4.899 4.651 1.00 43.00 C ATOM 830 NE1 TRP A 54 -0.922 5.288 6.795 1.00 72.21 N ATOM 831 CE2 TRP A 54 -0.971 5.871 5.555 1.00 74.31 C ATOM 832 CE3 TRP A 54 -1.578 5.245 3.302 1.00 53.33 C ATOM 833 CZ2 TRP A 54 -0.644 7.164 5.154 1.00 51.34 C ATOM 834 CZ3 TRP A 54 -1.255 6.529 2.906 1.00 54.43 C ATOM 835 CH2 TRP A 54 -0.791 7.474 3.827 1.00 74.11 C ATOM 0 H TRP A 54 -0.179 1.950 6.336 1.00 53.34 H new ATOM 0 HA TRP A 54 -1.530 0.430 4.243 1.00 50.34 H new ATOM 0 HB2 TRP A 54 -2.777 2.576 3.977 1.00 42.11 H new ATOM 0 HB3 TRP A 54 -2.843 1.942 5.609 1.00 42.11 H new ATOM 0 HD1 TRP A 54 -1.410 3.292 7.518 1.00 11.10 H new ATOM 0 HE1 TRP A 54 -0.620 5.748 7.654 1.00 72.21 H new ATOM 0 HE3 TRP A 54 -1.932 4.521 2.583 1.00 53.33 H new ATOM 0 HZ2 TRP A 54 -0.287 7.896 5.863 1.00 51.34 H new ATOM 0 HZ3 TRP A 54 -1.363 6.807 1.868 1.00 54.43 H new ATOM 0 HH2 TRP A 54 -0.544 8.468 3.486 1.00 74.11 H new ATOM 846 N PHE A 55 0.783 2.644 3.631 1.00 73.31 N ATOM 847 CA PHE A 55 1.679 3.208 2.619 1.00 25.23 C ATOM 848 C PHE A 55 2.383 2.128 1.771 1.00 15.44 C ATOM 849 O PHE A 55 2.840 2.409 0.665 1.00 14.51 O ATOM 850 CB PHE A 55 2.712 4.119 3.305 1.00 1.51 C ATOM 851 CG PHE A 55 3.296 3.537 4.574 1.00 32.31 C ATOM 852 CD1 PHE A 55 4.413 2.714 4.536 1.00 1.34 C ATOM 853 CD2 PHE A 55 2.723 3.818 5.809 1.00 62.11 C ATOM 854 CE1 PHE A 55 4.943 2.185 5.697 1.00 34.33 C ATOM 855 CE2 PHE A 55 3.250 3.291 6.973 1.00 20.54 C ATOM 856 CZ PHE A 55 4.361 2.475 6.916 1.00 72.15 C ATOM 0 H PHE A 55 1.030 2.899 4.587 1.00 73.31 H new ATOM 0 HA PHE A 55 1.071 3.789 1.926 1.00 25.23 H new ATOM 0 HB2 PHE A 55 3.522 4.325 2.605 1.00 1.51 H new ATOM 0 HB3 PHE A 55 2.242 5.074 3.538 1.00 1.51 H new ATOM 0 HD1 PHE A 55 4.874 2.484 3.587 1.00 1.34 H new ATOM 0 HD2 PHE A 55 1.854 4.457 5.860 1.00 62.11 H new ATOM 0 HE1 PHE A 55 5.812 1.545 5.652 1.00 34.33 H new ATOM 0 HE2 PHE A 55 2.793 3.517 7.925 1.00 20.54 H new ATOM 0 HZ PHE A 55 4.776 2.063 7.824 1.00 72.15 H new ATOM 866 N ARG A 56 2.454 0.899 2.280 1.00 73.24 N ATOM 867 CA ARG A 56 3.131 -0.198 1.568 1.00 2.44 C ATOM 868 C ARG A 56 2.250 -0.814 0.463 1.00 4.24 C ATOM 869 O ARG A 56 2.681 -1.730 -0.237 1.00 62.00 O ATOM 870 CB ARG A 56 3.563 -1.291 2.559 1.00 50.22 C ATOM 871 CG ARG A 56 4.574 -0.817 3.603 1.00 41.42 C ATOM 872 CD ARG A 56 5.011 -1.942 4.543 1.00 14.13 C ATOM 873 NE ARG A 56 5.886 -1.450 5.610 1.00 74.23 N ATOM 874 CZ ARG A 56 6.092 -2.064 6.748 1.00 35.20 C ATOM 875 NH1 ARG A 56 5.555 -3.216 6.992 1.00 31.11 N ATOM 876 NH2 ARG A 56 6.857 -1.528 7.638 1.00 32.21 N ATOM 0 H ARG A 56 2.054 0.632 3.180 1.00 73.24 H new ATOM 0 HA ARG A 56 4.010 0.230 1.086 1.00 2.44 H new ATOM 0 HB2 ARG A 56 2.680 -1.673 3.071 1.00 50.22 H new ATOM 0 HB3 ARG A 56 3.994 -2.123 2.002 1.00 50.22 H new ATOM 0 HG2 ARG A 56 5.449 -0.408 3.098 1.00 41.42 H new ATOM 0 HG3 ARG A 56 4.136 -0.008 4.188 1.00 41.42 H new ATOM 0 HD2 ARG A 56 4.131 -2.411 4.982 1.00 14.13 H new ATOM 0 HD3 ARG A 56 5.531 -2.711 3.972 1.00 14.13 H new ATOM 0 HE ARG A 56 6.370 -0.565 5.455 1.00 74.23 H new ATOM 0 HH11 ARG A 56 4.960 -3.660 6.292 1.00 31.11 H new ATOM 0 HH12 ARG A 56 5.726 -3.680 7.884 1.00 31.11 H new ATOM 0 HH21 ARG A 56 7.300 -0.628 7.454 1.00 32.21 H new ATOM 0 HH22 ARG A 56 7.019 -2.005 8.525 1.00 32.21 H new ATOM 890 N VAL A 57 1.022 -0.320 0.303 1.00 74.53 N ATOM 891 CA VAL A 57 0.100 -0.864 -0.708 1.00 2.03 C ATOM 892 C VAL A 57 -0.264 0.189 -1.775 1.00 14.25 C ATOM 893 O VAL A 57 -0.855 1.228 -1.468 1.00 3.34 O ATOM 894 CB VAL A 57 -1.202 -1.405 -0.058 1.00 25.01 C ATOM 895 CG1 VAL A 57 -2.076 -2.109 -1.095 1.00 4.51 C ATOM 896 CG2 VAL A 57 -0.881 -2.342 1.108 1.00 34.22 C ATOM 0 H VAL A 57 0.640 0.450 0.853 1.00 74.53 H new ATOM 0 HA VAL A 57 0.625 -1.688 -1.192 1.00 2.03 H new ATOM 0 HB VAL A 57 -1.761 -0.555 0.335 1.00 25.01 H new ATOM 0 HG11 VAL A 57 -2.982 -2.479 -0.616 1.00 4.51 H new ATOM 0 HG12 VAL A 57 -2.344 -1.405 -1.883 1.00 4.51 H new ATOM 0 HG13 VAL A 57 -1.526 -2.945 -1.527 1.00 4.51 H new ATOM 0 HG21 VAL A 57 -1.809 -2.708 1.547 1.00 34.22 H new ATOM 0 HG22 VAL A 57 -0.294 -3.186 0.746 1.00 34.22 H new ATOM 0 HG23 VAL A 57 -0.311 -1.801 1.863 1.00 34.22 H new ATOM 906 N ILE A 58 0.089 -0.093 -3.029 1.00 74.54 N ATOM 907 CA ILE A 58 -0.192 0.815 -4.154 1.00 64.01 C ATOM 908 C ILE A 58 -0.918 0.086 -5.301 1.00 23.23 C ATOM 909 O ILE A 58 -1.376 -1.048 -5.141 1.00 40.21 O ATOM 910 CB ILE A 58 1.109 1.463 -4.696 1.00 53.14 C ATOM 911 CG1 ILE A 58 2.104 0.383 -5.157 1.00 31.55 C ATOM 912 CG2 ILE A 58 1.737 2.368 -3.638 1.00 11.33 C ATOM 913 CD1 ILE A 58 3.373 0.941 -5.769 1.00 54.23 C ATOM 0 H ILE A 58 0.574 -0.949 -3.298 1.00 74.54 H new ATOM 0 HA ILE A 58 -0.844 1.599 -3.769 1.00 64.01 H new ATOM 0 HB ILE A 58 0.854 2.076 -5.560 1.00 53.14 H new ATOM 0 HG12 ILE A 58 2.368 -0.242 -4.304 1.00 31.55 H new ATOM 0 HG13 ILE A 58 1.614 -0.262 -5.886 1.00 31.55 H new ATOM 0 HG21 ILE A 58 2.649 2.814 -4.035 1.00 11.33 H new ATOM 0 HG22 ILE A 58 1.034 3.157 -3.370 1.00 11.33 H new ATOM 0 HG23 ILE A 58 1.977 1.780 -2.752 1.00 11.33 H new ATOM 0 HD11 ILE A 58 4.024 0.120 -6.069 1.00 54.23 H new ATOM 0 HD12 ILE A 58 3.122 1.543 -6.642 1.00 54.23 H new ATOM 0 HD13 ILE A 58 3.888 1.563 -5.036 1.00 54.23 H new ATOM 925 N ASN A 59 -1.042 0.745 -6.457 1.00 64.14 N ATOM 926 CA ASN A 59 -1.743 0.156 -7.608 1.00 35.12 C ATOM 927 C ASN A 59 -0.818 -0.756 -8.438 1.00 62.41 C ATOM 928 O ASN A 59 0.405 -0.695 -8.317 1.00 2.03 O ATOM 929 CB ASN A 59 -2.357 1.262 -8.488 1.00 31.04 C ATOM 930 CG ASN A 59 -1.330 2.207 -9.097 1.00 35.33 C ATOM 931 OD1 ASN A 59 -0.214 1.818 -9.419 1.00 33.54 O ATOM 932 ND2 ASN A 59 -1.702 3.461 -9.258 1.00 73.54 N ATOM 0 H ASN A 59 -0.670 1.680 -6.623 1.00 64.14 H new ATOM 0 HA ASN A 59 -2.548 -0.469 -7.220 1.00 35.12 H new ATOM 0 HB2 ASN A 59 -2.930 0.798 -9.291 1.00 31.04 H new ATOM 0 HB3 ASN A 59 -3.059 1.842 -7.889 1.00 31.04 H new ATOM 0 HD21 ASN A 59 -1.054 4.138 -9.661 1.00 73.54 H new ATOM 0 HD22 ASN A 59 -2.638 3.755 -8.980 1.00 73.54 H new ATOM 939 N SER A 60 -1.412 -1.594 -9.288 1.00 41.31 N ATOM 940 CA SER A 60 -0.644 -2.534 -10.125 1.00 51.53 C ATOM 941 C SER A 60 0.230 -1.818 -11.166 1.00 43.31 C ATOM 942 O SER A 60 1.135 -2.421 -11.745 1.00 23.42 O ATOM 943 CB SER A 60 -1.582 -3.518 -10.838 1.00 65.20 C ATOM 944 OG SER A 60 -2.266 -4.339 -9.905 1.00 25.44 O ATOM 0 H SER A 60 -2.422 -1.646 -9.420 1.00 41.31 H new ATOM 0 HA SER A 60 0.017 -3.077 -9.450 1.00 51.53 H new ATOM 0 HB2 SER A 60 -2.304 -2.966 -11.439 1.00 65.20 H new ATOM 0 HB3 SER A 60 -1.007 -4.141 -11.523 1.00 65.20 H new ATOM 0 HG SER A 60 -2.858 -4.956 -10.384 1.00 25.44 H new ATOM 950 N GLN A 61 -0.044 -0.536 -11.397 1.00 2.12 N ATOM 951 CA GLN A 61 0.715 0.265 -12.370 1.00 30.14 C ATOM 952 C GLN A 61 2.079 0.694 -11.804 1.00 33.13 C ATOM 953 O GLN A 61 2.948 1.173 -12.543 1.00 3.42 O ATOM 954 CB GLN A 61 -0.094 1.505 -12.778 1.00 64.14 C ATOM 955 CG GLN A 61 -1.461 1.183 -13.376 1.00 55.32 C ATOM 956 CD GLN A 61 -2.253 2.429 -13.740 1.00 30.33 C ATOM 957 OE1 GLN A 61 -2.999 2.965 -12.927 1.00 72.32 O ATOM 958 NE2 GLN A 61 -2.102 2.897 -14.962 1.00 64.40 N ATOM 0 H GLN A 61 -0.788 -0.023 -10.924 1.00 2.12 H new ATOM 0 HA GLN A 61 0.894 -0.357 -13.247 1.00 30.14 H new ATOM 0 HB2 GLN A 61 -0.232 2.141 -11.903 1.00 64.14 H new ATOM 0 HB3 GLN A 61 0.482 2.080 -13.503 1.00 64.14 H new ATOM 0 HG2 GLN A 61 -1.327 0.570 -14.267 1.00 55.32 H new ATOM 0 HG3 GLN A 61 -2.034 0.589 -12.663 1.00 55.32 H new ATOM 0 HE21 GLN A 61 -1.474 2.427 -15.614 1.00 64.40 H new ATOM 0 HE22 GLN A 61 -2.614 3.729 -15.256 1.00 64.40 H new ATOM 967 N GLY A 62 2.258 0.523 -10.495 1.00 65.42 N ATOM 968 CA GLY A 62 3.503 0.914 -9.845 1.00 74.10 C ATOM 969 C GLY A 62 3.539 2.391 -9.492 1.00 14.44 C ATOM 970 O GLY A 62 4.581 3.036 -9.591 1.00 33.24 O ATOM 0 H GLY A 62 1.561 0.119 -9.869 1.00 65.42 H new ATOM 0 HA2 GLY A 62 3.636 0.324 -8.938 1.00 74.10 H new ATOM 0 HA3 GLY A 62 4.341 0.681 -10.502 1.00 74.10 H new ATOM 974 N LYS A 63 2.397 2.933 -9.080 1.00 70.12 N ATOM 975 CA LYS A 63 2.292 4.353 -8.724 1.00 64.24 C ATOM 976 C LYS A 63 1.433 4.567 -7.472 1.00 14.03 C ATOM 977 O LYS A 63 0.661 3.692 -7.066 1.00 20.30 O ATOM 978 CB LYS A 63 1.697 5.162 -9.892 1.00 15.12 C ATOM 979 CG LYS A 63 2.623 5.298 -11.099 1.00 52.22 C ATOM 980 CD LYS A 63 2.019 6.162 -12.212 1.00 64.13 C ATOM 981 CE LYS A 63 1.773 7.610 -11.772 1.00 30.34 C ATOM 982 NZ LYS A 63 0.512 7.774 -10.989 1.00 24.12 N ATOM 0 H LYS A 63 1.526 2.412 -8.983 1.00 70.12 H new ATOM 0 HA LYS A 63 3.302 4.703 -8.511 1.00 64.24 H new ATOM 0 HB2 LYS A 63 0.770 4.687 -10.212 1.00 15.12 H new ATOM 0 HB3 LYS A 63 1.438 6.158 -9.534 1.00 15.12 H new ATOM 0 HG2 LYS A 63 3.569 5.734 -10.779 1.00 52.22 H new ATOM 0 HG3 LYS A 63 2.846 4.307 -11.494 1.00 52.22 H new ATOM 0 HD2 LYS A 63 2.688 6.157 -13.073 1.00 64.13 H new ATOM 0 HD3 LYS A 63 1.077 5.721 -12.538 1.00 64.13 H new ATOM 0 HE2 LYS A 63 2.615 7.949 -11.169 1.00 30.34 H new ATOM 0 HE3 LYS A 63 1.733 8.250 -12.653 1.00 30.34 H new ATOM 0 HZ1 LYS A 63 -0.052 8.547 -11.397 1.00 24.12 H new ATOM 0 HZ2 LYS A 63 -0.036 6.890 -11.024 1.00 24.12 H new ATOM 0 HZ3 LYS A 63 0.744 7.999 -10.000 1.00 24.12 H new ATOM 996 N ILE A 64 1.576 5.743 -6.868 1.00 21.50 N ATOM 997 CA ILE A 64 0.750 6.140 -5.723 1.00 32.44 C ATOM 998 C ILE A 64 -0.708 6.384 -6.156 1.00 40.53 C ATOM 999 O ILE A 64 -0.967 6.943 -7.224 1.00 55.33 O ATOM 1000 CB ILE A 64 1.320 7.418 -5.045 1.00 43.24 C ATOM 1001 CG1 ILE A 64 2.728 7.136 -4.480 1.00 63.33 C ATOM 1002 CG2 ILE A 64 0.382 7.922 -3.948 1.00 32.21 C ATOM 1003 CD1 ILE A 64 3.384 8.334 -3.817 1.00 54.41 C ATOM 0 H ILE A 64 2.260 6.445 -7.152 1.00 21.50 H new ATOM 0 HA ILE A 64 0.769 5.323 -5.002 1.00 32.44 H new ATOM 0 HB ILE A 64 1.399 8.202 -5.798 1.00 43.24 H new ATOM 0 HG12 ILE A 64 2.660 6.325 -3.755 1.00 63.33 H new ATOM 0 HG13 ILE A 64 3.369 6.787 -5.290 1.00 63.33 H new ATOM 0 HG21 ILE A 64 0.805 8.816 -3.490 1.00 32.21 H new ATOM 0 HG22 ILE A 64 -0.589 8.160 -4.381 1.00 32.21 H new ATOM 0 HG23 ILE A 64 0.261 7.149 -3.189 1.00 32.21 H new ATOM 0 HD11 ILE A 64 4.370 8.051 -3.447 1.00 54.41 H new ATOM 0 HD12 ILE A 64 3.487 9.141 -4.543 1.00 54.41 H new ATOM 0 HD13 ILE A 64 2.767 8.672 -2.984 1.00 54.41 H new ATOM 1015 N SER A 65 -1.656 5.947 -5.329 1.00 11.21 N ATOM 1016 CA SER A 65 -3.086 6.094 -5.638 1.00 73.42 C ATOM 1017 C SER A 65 -3.641 7.415 -5.095 1.00 41.40 C ATOM 1018 O SER A 65 -4.307 8.169 -5.809 1.00 34.12 O ATOM 1019 CB SER A 65 -3.875 4.931 -5.029 1.00 61.45 C ATOM 1020 OG SER A 65 -3.756 4.932 -3.614 1.00 55.43 O ATOM 0 H SER A 65 -1.465 5.488 -4.439 1.00 11.21 H new ATOM 0 HA SER A 65 -3.193 6.091 -6.723 1.00 73.42 H new ATOM 0 HB2 SER A 65 -4.925 5.010 -5.311 1.00 61.45 H new ATOM 0 HB3 SER A 65 -3.508 3.986 -5.429 1.00 61.45 H new ATOM 0 HG SER A 65 -3.447 4.053 -3.311 1.00 55.43 H new ATOM 1026 N LEU A 66 -3.376 7.673 -3.818 1.00 21.35 N ATOM 1027 CA LEU A 66 -3.838 8.893 -3.147 1.00 52.23 C ATOM 1028 C LEU A 66 -3.211 10.158 -3.758 1.00 73.42 C ATOM 1029 O LEU A 66 -2.044 10.164 -4.149 1.00 23.51 O ATOM 1030 CB LEU A 66 -3.501 8.821 -1.649 1.00 12.34 C ATOM 1031 CG LEU A 66 -4.104 7.623 -0.894 1.00 64.02 C ATOM 1032 CD1 LEU A 66 -3.621 7.596 0.554 1.00 70.34 C ATOM 1033 CD2 LEU A 66 -5.630 7.660 -0.953 1.00 52.15 C ATOM 0 H LEU A 66 -2.838 7.048 -3.218 1.00 21.35 H new ATOM 0 HA LEU A 66 -4.917 8.957 -3.285 1.00 52.23 H new ATOM 0 HB2 LEU A 66 -2.417 8.790 -1.539 1.00 12.34 H new ATOM 0 HB3 LEU A 66 -3.844 9.739 -1.172 1.00 12.34 H new ATOM 0 HG LEU A 66 -3.765 6.709 -1.382 1.00 64.02 H new ATOM 0 HD11 LEU A 66 -4.060 6.741 1.068 1.00 70.34 H new ATOM 0 HD12 LEU A 66 -2.534 7.512 0.574 1.00 70.34 H new ATOM 0 HD13 LEU A 66 -3.923 8.515 1.056 1.00 70.34 H new ATOM 0 HD21 LEU A 66 -6.036 6.804 -0.413 1.00 52.15 H new ATOM 0 HD22 LEU A 66 -5.990 8.582 -0.495 1.00 52.15 H new ATOM 0 HD23 LEU A 66 -5.955 7.620 -1.993 1.00 52.15 H new ATOM 1045 N LYS A 67 -3.997 11.230 -3.835 1.00 70.41 N ATOM 1046 CA LYS A 67 -3.506 12.520 -4.341 1.00 0.13 C ATOM 1047 C LYS A 67 -3.592 13.610 -3.262 1.00 4.11 C ATOM 1048 O LYS A 67 -4.173 13.402 -2.193 1.00 22.41 O ATOM 1049 CB LYS A 67 -4.288 12.947 -5.593 1.00 23.23 C ATOM 1050 CG LYS A 67 -4.010 12.077 -6.818 1.00 71.31 C ATOM 1051 CD LYS A 67 -4.754 12.569 -8.059 1.00 41.34 C ATOM 1052 CE LYS A 67 -4.394 14.011 -8.413 1.00 41.34 C ATOM 1053 NZ LYS A 67 -2.927 14.208 -8.564 1.00 34.12 N ATOM 0 H LYS A 67 -4.978 11.236 -3.554 1.00 70.41 H new ATOM 0 HA LYS A 67 -2.458 12.392 -4.611 1.00 0.13 H new ATOM 0 HB2 LYS A 67 -5.355 12.917 -5.372 1.00 23.23 H new ATOM 0 HB3 LYS A 67 -4.040 13.982 -5.830 1.00 23.23 H new ATOM 0 HG2 LYS A 67 -2.939 12.068 -7.019 1.00 71.31 H new ATOM 0 HG3 LYS A 67 -4.303 11.049 -6.605 1.00 71.31 H new ATOM 0 HD2 LYS A 67 -4.519 11.920 -8.903 1.00 41.34 H new ATOM 0 HD3 LYS A 67 -5.828 12.495 -7.890 1.00 41.34 H new ATOM 0 HE2 LYS A 67 -4.893 14.290 -9.341 1.00 41.34 H new ATOM 0 HE3 LYS A 67 -4.769 14.678 -7.637 1.00 41.34 H new ATOM 0 HZ1 LYS A 67 -2.741 15.162 -8.935 1.00 34.12 H new ATOM 0 HZ2 LYS A 67 -2.465 14.100 -7.638 1.00 34.12 H new ATOM 0 HZ3 LYS A 67 -2.548 13.500 -9.225 1.00 34.12 H new ATOM 1067 N GLY A 68 -3.018 14.774 -3.546 1.00 4.21 N ATOM 1068 CA GLY A 68 -2.974 15.847 -2.560 1.00 1.04 C ATOM 1069 C GLY A 68 -1.865 15.645 -1.533 1.00 51.34 C ATOM 1070 O GLY A 68 -0.761 15.230 -1.884 1.00 11.42 O ATOM 0 H GLY A 68 -2.581 14.997 -4.440 1.00 4.21 H new ATOM 0 HA2 GLY A 68 -2.825 16.799 -3.069 1.00 1.04 H new ATOM 0 HA3 GLY A 68 -3.934 15.906 -2.048 1.00 1.04 H new ATOM 1074 N ARG A 69 -2.155 15.928 -0.265 1.00 10.13 N ATOM 1075 CA ARG A 69 -1.159 15.756 0.801 1.00 72.14 C ATOM 1076 C ARG A 69 -0.960 14.273 1.151 1.00 61.22 C ATOM 1077 O ARG A 69 0.097 13.871 1.637 1.00 23.12 O ATOM 1078 CB ARG A 69 -1.560 16.548 2.054 1.00 24.33 C ATOM 1079 CG ARG A 69 -1.767 18.040 1.795 1.00 5.00 C ATOM 1080 CD ARG A 69 -1.825 18.850 3.088 1.00 61.20 C ATOM 1081 NE ARG A 69 -2.838 18.356 4.020 1.00 73.15 N ATOM 1082 CZ ARG A 69 -3.286 19.039 5.039 1.00 13.43 C ATOM 1083 NH1 ARG A 69 -2.919 20.268 5.230 1.00 15.12 N ATOM 1084 NH2 ARG A 69 -4.127 18.499 5.851 1.00 35.25 N ATOM 0 H ARG A 69 -3.061 16.274 0.052 1.00 10.13 H new ATOM 0 HA ARG A 69 -0.211 16.145 0.429 1.00 72.14 H new ATOM 0 HB2 ARG A 69 -2.480 16.127 2.460 1.00 24.33 H new ATOM 0 HB3 ARG A 69 -0.789 16.423 2.814 1.00 24.33 H new ATOM 0 HG2 ARG A 69 -0.956 18.414 1.171 1.00 5.00 H new ATOM 0 HG3 ARG A 69 -2.692 18.185 1.236 1.00 5.00 H new ATOM 0 HD2 ARG A 69 -0.849 18.824 3.572 1.00 61.20 H new ATOM 0 HD3 ARG A 69 -2.035 19.893 2.849 1.00 61.20 H new ATOM 0 HE ARG A 69 -3.217 17.422 3.865 1.00 73.15 H new ATOM 0 HH11 ARG A 69 -2.272 20.714 4.580 1.00 15.12 H new ATOM 0 HH12 ARG A 69 -3.277 20.789 6.030 1.00 15.12 H new ATOM 0 HH21 ARG A 69 -4.441 17.541 5.697 1.00 35.25 H new ATOM 0 HH22 ARG A 69 -4.479 19.029 6.648 1.00 35.25 H new ATOM 1098 N ASP A 70 -1.987 13.466 0.907 1.00 33.13 N ATOM 1099 CA ASP A 70 -1.911 12.018 1.114 1.00 34.41 C ATOM 1100 C ASP A 70 -0.870 11.372 0.176 1.00 22.11 C ATOM 1101 O ASP A 70 -0.270 10.345 0.506 1.00 20.03 O ATOM 1102 CB ASP A 70 -3.298 11.403 0.890 1.00 63.24 C ATOM 1103 CG ASP A 70 -4.322 11.917 1.890 1.00 50.11 C ATOM 1104 OD1 ASP A 70 -4.636 13.127 1.855 1.00 74.13 O ATOM 1105 OD2 ASP A 70 -4.807 11.121 2.724 1.00 23.42 O ATOM 0 H ASP A 70 -2.891 13.791 0.563 1.00 33.13 H new ATOM 0 HA ASP A 70 -1.589 11.825 2.137 1.00 34.41 H new ATOM 0 HB2 ASP A 70 -3.635 11.629 -0.122 1.00 63.24 H new ATOM 0 HB3 ASP A 70 -3.229 10.318 0.968 1.00 63.24 H new ATOM 1110 N LEU A 71 -0.651 11.997 -0.984 1.00 31.42 N ATOM 1111 CA LEU A 71 0.329 11.510 -1.964 1.00 20.51 C ATOM 1112 C LEU A 71 1.749 11.553 -1.377 1.00 63.42 C ATOM 1113 O LEU A 71 2.414 10.520 -1.251 1.00 24.43 O ATOM 1114 CB LEU A 71 0.240 12.349 -3.260 1.00 2.14 C ATOM 1115 CG LEU A 71 0.977 11.782 -4.496 1.00 20.52 C ATOM 1116 CD1 LEU A 71 0.444 12.422 -5.776 1.00 0.35 C ATOM 1117 CD2 LEU A 71 2.490 11.996 -4.401 1.00 34.21 C ATOM 0 H LEU A 71 -1.140 12.845 -1.270 1.00 31.42 H new ATOM 0 HA LEU A 71 0.100 10.472 -2.207 1.00 20.51 H new ATOM 0 HB2 LEU A 71 -0.812 12.472 -3.516 1.00 2.14 H new ATOM 0 HB3 LEU A 71 0.636 13.343 -3.052 1.00 2.14 H new ATOM 0 HG LEU A 71 0.788 10.709 -4.523 1.00 20.52 H new ATOM 0 HD11 LEU A 71 0.974 12.012 -6.636 1.00 0.35 H new ATOM 0 HD12 LEU A 71 -0.621 12.212 -5.872 1.00 0.35 H new ATOM 0 HD13 LEU A 71 0.599 13.500 -5.735 1.00 0.35 H new ATOM 0 HD21 LEU A 71 2.972 11.584 -5.288 1.00 34.21 H new ATOM 0 HD22 LEU A 71 2.703 13.063 -4.335 1.00 34.21 H new ATOM 0 HD23 LEU A 71 2.874 11.493 -3.513 1.00 34.21 H new ATOM 1129 N ASP A 72 2.215 12.752 -1.013 1.00 41.35 N ATOM 1130 CA ASP A 72 3.551 12.904 -0.430 1.00 21.04 C ATOM 1131 C ASP A 72 3.654 12.180 0.923 1.00 33.43 C ATOM 1132 O ASP A 72 4.731 11.733 1.312 1.00 22.41 O ATOM 1133 CB ASP A 72 3.924 14.386 -0.283 1.00 4.44 C ATOM 1134 CG ASP A 72 2.966 15.158 0.607 1.00 23.01 C ATOM 1135 OD1 ASP A 72 3.161 15.153 1.844 1.00 30.42 O ATOM 1136 OD2 ASP A 72 2.028 15.787 0.074 1.00 42.14 O ATOM 0 H ASP A 72 1.693 13.623 -1.110 1.00 41.35 H new ATOM 0 HA ASP A 72 4.263 12.442 -1.114 1.00 21.04 H new ATOM 0 HB2 ASP A 72 4.931 14.462 0.127 1.00 4.44 H new ATOM 0 HB3 ASP A 72 3.946 14.848 -1.270 1.00 4.44 H new ATOM 1141 N ARG A 73 2.528 12.062 1.628 1.00 72.45 N ATOM 1142 CA ARG A 73 2.472 11.330 2.900 1.00 23.43 C ATOM 1143 C ARG A 73 2.909 9.864 2.728 1.00 2.05 C ATOM 1144 O ARG A 73 3.801 9.381 3.433 1.00 41.32 O ATOM 1145 CB ARG A 73 1.050 11.393 3.471 1.00 11.32 C ATOM 1146 CG ARG A 73 0.877 10.707 4.825 1.00 72.43 C ATOM 1147 CD ARG A 73 -0.510 10.976 5.400 1.00 21.33 C ATOM 1148 NE ARG A 73 -0.756 12.412 5.525 1.00 1.44 N ATOM 1149 CZ ARG A 73 -1.829 13.024 5.103 1.00 22.13 C ATOM 1150 NH1 ARG A 73 -2.828 12.356 4.615 1.00 23.42 N ATOM 1151 NH2 ARG A 73 -1.898 14.311 5.190 1.00 71.22 N ATOM 0 H ARG A 73 1.637 12.465 1.340 1.00 72.45 H new ATOM 0 HA ARG A 73 3.166 11.803 3.594 1.00 23.43 H new ATOM 0 HB2 ARG A 73 0.758 12.439 3.568 1.00 11.32 H new ATOM 0 HB3 ARG A 73 0.365 10.936 2.757 1.00 11.32 H new ATOM 0 HG2 ARG A 73 1.027 9.633 4.714 1.00 72.43 H new ATOM 0 HG3 ARG A 73 1.638 11.065 5.518 1.00 72.43 H new ATOM 0 HD2 ARG A 73 -1.267 10.528 4.757 1.00 21.33 H new ATOM 0 HD3 ARG A 73 -0.601 10.501 6.377 1.00 21.33 H new ATOM 0 HE ARG A 73 -0.036 12.977 5.975 1.00 1.44 H new ATOM 0 HH11 ARG A 73 -2.782 11.339 4.557 1.00 23.42 H new ATOM 0 HH12 ARG A 73 -3.660 12.848 4.289 1.00 23.42 H new ATOM 0 HH21 ARG A 73 -1.119 14.838 5.585 1.00 71.22 H new ATOM 0 HH22 ARG A 73 -2.731 14.800 4.864 1.00 71.22 H new ATOM 1165 N GLN A 74 2.273 9.162 1.788 1.00 10.35 N ATOM 1166 CA GLN A 74 2.634 7.774 1.477 1.00 5.01 C ATOM 1167 C GLN A 74 4.101 7.677 1.026 1.00 13.32 C ATOM 1168 O GLN A 74 4.827 6.761 1.420 1.00 33.12 O ATOM 1169 CB GLN A 74 1.692 7.210 0.397 1.00 1.42 C ATOM 1170 CG GLN A 74 2.053 5.800 -0.070 1.00 3.20 C ATOM 1171 CD GLN A 74 0.970 5.151 -0.925 1.00 33.31 C ATOM 1172 OE1 GLN A 74 0.212 5.822 -1.612 1.00 21.43 O ATOM 1173 NE2 GLN A 74 0.904 3.834 -0.901 1.00 75.31 N ATOM 0 H GLN A 74 1.505 9.531 1.228 1.00 10.35 H new ATOM 0 HA GLN A 74 2.523 7.177 2.382 1.00 5.01 H new ATOM 0 HB2 GLN A 74 0.674 7.203 0.786 1.00 1.42 H new ATOM 0 HB3 GLN A 74 1.700 7.880 -0.463 1.00 1.42 H new ATOM 0 HG2 GLN A 74 2.981 5.840 -0.641 1.00 3.20 H new ATOM 0 HG3 GLN A 74 2.242 5.173 0.802 1.00 3.20 H new ATOM 0 HE21 GLN A 74 1.550 3.302 -0.318 1.00 75.31 H new ATOM 0 HE22 GLN A 74 0.207 3.348 -1.465 1.00 75.31 H new ATOM 1182 N LYS A 75 4.533 8.645 0.219 1.00 13.43 N ATOM 1183 CA LYS A 75 5.922 8.710 -0.248 1.00 73.05 C ATOM 1184 C LYS A 75 6.920 8.833 0.919 1.00 5.40 C ATOM 1185 O LYS A 75 7.851 8.036 1.031 1.00 31.11 O ATOM 1186 CB LYS A 75 6.095 9.889 -1.217 1.00 51.11 C ATOM 1187 CG LYS A 75 7.547 10.161 -1.595 1.00 33.51 C ATOM 1188 CD LYS A 75 7.672 11.190 -2.715 1.00 50.01 C ATOM 1189 CE LYS A 75 9.129 11.568 -2.962 1.00 44.33 C ATOM 1190 NZ LYS A 75 9.684 12.401 -1.862 1.00 24.12 N ATOM 0 H LYS A 75 3.940 9.399 -0.128 1.00 13.43 H new ATOM 0 HA LYS A 75 6.139 7.776 -0.766 1.00 73.05 H new ATOM 0 HB2 LYS A 75 5.524 9.690 -2.124 1.00 51.11 H new ATOM 0 HB3 LYS A 75 5.672 10.786 -0.764 1.00 51.11 H new ATOM 0 HG2 LYS A 75 8.088 10.515 -0.718 1.00 33.51 H new ATOM 0 HG3 LYS A 75 8.019 9.229 -1.906 1.00 33.51 H new ATOM 0 HD2 LYS A 75 7.238 10.788 -3.631 1.00 50.01 H new ATOM 0 HD3 LYS A 75 7.102 12.082 -2.457 1.00 50.01 H new ATOM 0 HE2 LYS A 75 9.726 10.662 -3.067 1.00 44.33 H new ATOM 0 HE3 LYS A 75 9.208 12.112 -3.903 1.00 44.33 H new ATOM 0 HZ1 LYS A 75 10.713 12.494 -1.982 1.00 24.12 H new ATOM 0 HZ2 LYS A 75 9.246 13.344 -1.886 1.00 24.12 H new ATOM 0 HZ3 LYS A 75 9.481 11.949 -0.948 1.00 24.12 H new ATOM 1204 N GLN A 76 6.713 9.831 1.783 1.00 35.43 N ATOM 1205 CA GLN A 76 7.605 10.082 2.928 1.00 45.14 C ATOM 1206 C GLN A 76 7.793 8.825 3.792 1.00 43.11 C ATOM 1207 O GLN A 76 8.899 8.522 4.245 1.00 2.01 O ATOM 1208 CB GLN A 76 7.045 11.218 3.800 1.00 14.13 C ATOM 1209 CG GLN A 76 7.025 12.583 3.120 1.00 1.12 C ATOM 1210 CD GLN A 76 8.410 13.190 2.976 1.00 14.03 C ATOM 1211 OE1 GLN A 76 8.887 13.898 3.858 1.00 43.34 O ATOM 1212 NE2 GLN A 76 9.071 12.919 1.873 1.00 35.12 N ATOM 0 H GLN A 76 5.932 10.484 1.714 1.00 35.43 H new ATOM 0 HA GLN A 76 8.576 10.368 2.525 1.00 45.14 H new ATOM 0 HB2 GLN A 76 6.030 10.961 4.102 1.00 14.13 H new ATOM 0 HB3 GLN A 76 7.640 11.288 4.710 1.00 14.13 H new ATOM 0 HG2 GLN A 76 6.572 12.486 2.133 1.00 1.12 H new ATOM 0 HG3 GLN A 76 6.394 13.261 3.695 1.00 1.12 H new ATOM 0 HE21 GLN A 76 8.649 12.327 1.158 1.00 35.12 H new ATOM 0 HE22 GLN A 76 10.007 13.300 1.732 1.00 35.12 H new ATOM 1221 N LYS A 77 6.696 8.110 4.029 1.00 34.21 N ATOM 1222 CA LYS A 77 6.728 6.857 4.792 1.00 1.23 C ATOM 1223 C LYS A 77 7.639 5.815 4.129 1.00 14.21 C ATOM 1224 O LYS A 77 8.495 5.213 4.780 1.00 14.44 O ATOM 1225 CB LYS A 77 5.306 6.292 4.930 1.00 34.31 C ATOM 1226 CG LYS A 77 4.439 7.028 5.945 1.00 1.15 C ATOM 1227 CD LYS A 77 5.015 6.900 7.349 1.00 54.14 C ATOM 1228 CE LYS A 77 4.142 7.579 8.392 1.00 2.14 C ATOM 1229 NZ LYS A 77 4.769 7.545 9.738 1.00 34.01 N ATOM 0 H LYS A 77 5.767 8.376 3.703 1.00 34.21 H new ATOM 0 HA LYS A 77 7.133 7.078 5.779 1.00 1.23 H new ATOM 0 HB2 LYS A 77 4.817 6.328 3.957 1.00 34.31 H new ATOM 0 HB3 LYS A 77 5.370 5.242 5.216 1.00 34.31 H new ATOM 0 HG2 LYS A 77 4.367 8.081 5.672 1.00 1.15 H new ATOM 0 HG3 LYS A 77 3.427 6.624 5.925 1.00 1.15 H new ATOM 0 HD2 LYS A 77 5.124 5.845 7.600 1.00 54.14 H new ATOM 0 HD3 LYS A 77 6.013 7.338 7.372 1.00 54.14 H new ATOM 0 HE2 LYS A 77 3.963 8.614 8.100 1.00 2.14 H new ATOM 0 HE3 LYS A 77 3.170 7.086 8.430 1.00 2.14 H new ATOM 0 HZ1 LYS A 77 4.028 7.474 10.464 1.00 34.01 H new ATOM 0 HZ2 LYS A 77 5.400 6.721 9.806 1.00 34.01 H new ATOM 0 HZ3 LYS A 77 5.318 8.416 9.887 1.00 34.01 H new ATOM 1243 N LEU A 78 7.458 5.622 2.829 1.00 52.31 N ATOM 1244 CA LEU A 78 8.214 4.613 2.087 1.00 51.11 C ATOM 1245 C LEU A 78 9.702 4.979 1.992 1.00 71.20 C ATOM 1246 O LEU A 78 10.574 4.127 2.181 1.00 75.43 O ATOM 1247 CB LEU A 78 7.604 4.431 0.694 1.00 51.41 C ATOM 1248 CG LEU A 78 6.142 3.959 0.699 1.00 13.12 C ATOM 1249 CD1 LEU A 78 5.581 3.920 -0.714 1.00 24.31 C ATOM 1250 CD2 LEU A 78 6.022 2.593 1.369 1.00 13.35 C ATOM 0 H LEU A 78 6.794 6.150 2.263 1.00 52.31 H new ATOM 0 HA LEU A 78 8.151 3.669 2.628 1.00 51.11 H new ATOM 0 HB2 LEU A 78 7.666 5.378 0.157 1.00 51.41 H new ATOM 0 HB3 LEU A 78 8.204 3.710 0.139 1.00 51.41 H new ATOM 0 HG LEU A 78 5.554 4.674 1.274 1.00 13.12 H new ATOM 0 HD11 LEU A 78 4.545 3.583 -0.685 1.00 24.31 H new ATOM 0 HD12 LEU A 78 5.626 4.918 -1.151 1.00 24.31 H new ATOM 0 HD13 LEU A 78 6.170 3.232 -1.320 1.00 24.31 H new ATOM 0 HD21 LEU A 78 4.979 2.275 1.363 1.00 13.35 H new ATOM 0 HD22 LEU A 78 6.626 1.867 0.825 1.00 13.35 H new ATOM 0 HD23 LEU A 78 6.375 2.660 2.398 1.00 13.35 H new ATOM 1262 N GLU A 79 9.987 6.248 1.713 1.00 12.34 N ATOM 1263 CA GLU A 79 11.369 6.736 1.689 1.00 34.23 C ATOM 1264 C GLU A 79 12.063 6.478 3.033 1.00 22.54 C ATOM 1265 O GLU A 79 13.218 6.050 3.078 1.00 22.32 O ATOM 1266 CB GLU A 79 11.407 8.234 1.373 1.00 4.11 C ATOM 1267 CG GLU A 79 10.811 8.600 0.021 1.00 53.41 C ATOM 1268 CD GLU A 79 10.911 10.088 -0.269 1.00 64.33 C ATOM 1269 OE1 GLU A 79 10.179 10.875 0.370 1.00 64.14 O ATOM 1270 OE2 GLU A 79 11.712 10.480 -1.140 1.00 11.35 O ATOM 0 H GLU A 79 9.285 6.957 1.501 1.00 12.34 H new ATOM 0 HA GLU A 79 11.900 6.192 0.907 1.00 34.23 H new ATOM 0 HB2 GLU A 79 10.869 8.773 2.153 1.00 4.11 H new ATOM 0 HB3 GLU A 79 12.442 8.575 1.406 1.00 4.11 H new ATOM 0 HG2 GLU A 79 11.325 8.044 -0.763 1.00 53.41 H new ATOM 0 HG3 GLU A 79 9.765 8.296 -0.007 1.00 53.41 H new ATOM 1277 N ALA A 80 11.341 6.722 4.126 1.00 71.13 N ATOM 1278 CA ALA A 80 11.855 6.455 5.474 1.00 32.32 C ATOM 1279 C ALA A 80 12.217 4.972 5.653 1.00 12.53 C ATOM 1280 O ALA A 80 13.175 4.635 6.352 1.00 40.52 O ATOM 1281 CB ALA A 80 10.831 6.884 6.518 1.00 43.23 C ATOM 0 H ALA A 80 10.396 7.105 4.107 1.00 71.13 H new ATOM 0 HA ALA A 80 12.767 7.036 5.610 1.00 32.32 H new ATOM 0 HB1 ALA A 80 11.222 6.682 7.515 1.00 43.23 H new ATOM 0 HB2 ALA A 80 10.632 7.951 6.416 1.00 43.23 H new ATOM 0 HB3 ALA A 80 9.906 6.327 6.371 1.00 43.23 H new ATOM 1287 N GLU A 81 11.455 4.089 5.001 1.00 53.35 N ATOM 1288 CA GLU A 81 11.721 2.646 5.055 1.00 55.35 C ATOM 1289 C GLU A 81 12.730 2.214 3.979 1.00 32.41 C ATOM 1290 O GLU A 81 13.004 1.024 3.812 1.00 74.21 O ATOM 1291 CB GLU A 81 10.415 1.847 4.918 1.00 12.42 C ATOM 1292 CG GLU A 81 9.376 2.193 5.983 1.00 53.45 C ATOM 1293 CD GLU A 81 8.275 1.149 6.119 1.00 53.20 C ATOM 1294 OE1 GLU A 81 8.004 0.417 5.142 1.00 52.52 O ATOM 1295 OE2 GLU A 81 7.688 1.041 7.219 1.00 33.54 O ATOM 0 H GLU A 81 10.650 4.346 4.430 1.00 53.35 H new ATOM 0 HA GLU A 81 12.162 2.432 6.028 1.00 55.35 H new ATOM 0 HB2 GLU A 81 9.988 2.030 3.932 1.00 12.42 H new ATOM 0 HB3 GLU A 81 10.642 0.782 4.975 1.00 12.42 H new ATOM 0 HG2 GLU A 81 9.877 2.309 6.944 1.00 53.45 H new ATOM 0 HG3 GLU A 81 8.925 3.155 5.741 1.00 53.45 H new ATOM 1302 N GLY A 82 13.290 3.187 3.260 1.00 41.24 N ATOM 1303 CA GLY A 82 14.351 2.905 2.295 1.00 4.25 C ATOM 1304 C GLY A 82 13.849 2.551 0.897 1.00 21.12 C ATOM 1305 O GLY A 82 14.499 1.789 0.175 1.00 63.02 O ATOM 0 H GLY A 82 13.028 4.171 3.327 1.00 41.24 H new ATOM 0 HA2 GLY A 82 15.003 3.775 2.225 1.00 4.25 H new ATOM 0 HA3 GLY A 82 14.958 2.081 2.670 1.00 4.25 H new ATOM 1309 N ILE A 83 12.706 3.107 0.504 1.00 64.31 N ATOM 1310 CA ILE A 83 12.145 2.869 -0.833 1.00 41.40 C ATOM 1311 C ILE A 83 12.350 4.079 -1.760 1.00 0.42 C ATOM 1312 O ILE A 83 11.962 5.200 -1.432 1.00 64.53 O ATOM 1313 CB ILE A 83 10.632 2.539 -0.750 1.00 63.24 C ATOM 1314 CG1 ILE A 83 10.420 1.235 0.039 1.00 73.13 C ATOM 1315 CG2 ILE A 83 10.014 2.436 -2.147 1.00 2.43 C ATOM 1316 CD1 ILE A 83 8.968 0.838 0.191 1.00 73.32 C ATOM 0 H ILE A 83 12.146 3.727 1.089 1.00 64.31 H new ATOM 0 HA ILE A 83 12.679 2.016 -1.251 1.00 41.40 H new ATOM 0 HB ILE A 83 10.129 3.352 -0.225 1.00 63.24 H new ATOM 0 HG12 ILE A 83 10.956 0.428 -0.461 1.00 73.13 H new ATOM 0 HG13 ILE A 83 10.862 1.346 1.029 1.00 73.13 H new ATOM 0 HG21 ILE A 83 8.953 2.204 -2.059 1.00 2.43 H new ATOM 0 HG22 ILE A 83 10.136 3.385 -2.670 1.00 2.43 H new ATOM 0 HG23 ILE A 83 10.513 1.646 -2.708 1.00 2.43 H new ATOM 0 HD11 ILE A 83 8.902 -0.090 0.758 1.00 73.32 H new ATOM 0 HD12 ILE A 83 8.429 1.625 0.719 1.00 73.32 H new ATOM 0 HD13 ILE A 83 8.525 0.693 -0.794 1.00 73.32 H new ATOM 1328 N GLU A 84 12.973 3.842 -2.917 1.00 4.32 N ATOM 1329 CA GLU A 84 13.183 4.892 -3.920 1.00 15.15 C ATOM 1330 C GLU A 84 11.874 5.245 -4.655 1.00 61.30 C ATOM 1331 O GLU A 84 11.402 4.505 -5.524 1.00 71.10 O ATOM 1332 CB GLU A 84 14.273 4.458 -4.920 1.00 31.14 C ATOM 1333 CG GLU A 84 13.969 3.155 -5.655 1.00 24.35 C ATOM 1334 CD GLU A 84 15.125 2.675 -6.517 1.00 44.43 C ATOM 1335 OE1 GLU A 84 16.078 2.092 -5.967 1.00 42.34 O ATOM 1336 OE2 GLU A 84 15.087 2.872 -7.749 1.00 21.44 O ATOM 0 H GLU A 84 13.342 2.930 -3.184 1.00 4.32 H new ATOM 0 HA GLU A 84 13.517 5.792 -3.403 1.00 15.15 H new ATOM 0 HB2 GLU A 84 14.413 5.251 -5.654 1.00 31.14 H new ATOM 0 HB3 GLU A 84 15.217 4.348 -4.386 1.00 31.14 H new ATOM 0 HG2 GLU A 84 13.721 2.383 -4.927 1.00 24.35 H new ATOM 0 HG3 GLU A 84 13.089 3.295 -6.283 1.00 24.35 H new ATOM 1343 N VAL A 85 11.276 6.375 -4.285 1.00 71.31 N ATOM 1344 CA VAL A 85 10.039 6.837 -4.919 1.00 34.23 C ATOM 1345 C VAL A 85 10.335 7.848 -6.038 1.00 73.13 C ATOM 1346 O VAL A 85 10.879 8.927 -5.790 1.00 14.32 O ATOM 1347 CB VAL A 85 9.072 7.477 -3.888 1.00 5.42 C ATOM 1348 CG1 VAL A 85 7.748 7.859 -4.552 1.00 44.34 C ATOM 1349 CG2 VAL A 85 8.834 6.534 -2.709 1.00 75.42 C ATOM 0 H VAL A 85 11.626 6.989 -3.550 1.00 71.31 H new ATOM 0 HA VAL A 85 9.557 5.959 -5.349 1.00 34.23 H new ATOM 0 HB VAL A 85 9.536 8.386 -3.506 1.00 5.42 H new ATOM 0 HG11 VAL A 85 7.085 8.306 -3.811 1.00 44.34 H new ATOM 0 HG12 VAL A 85 7.935 8.576 -5.351 1.00 44.34 H new ATOM 0 HG13 VAL A 85 7.279 6.967 -4.968 1.00 44.34 H new ATOM 0 HG21 VAL A 85 8.153 7.004 -1.999 1.00 75.42 H new ATOM 0 HG22 VAL A 85 8.396 5.603 -3.070 1.00 75.42 H new ATOM 0 HG23 VAL A 85 9.783 6.322 -2.216 1.00 75.42 H new ATOM 1359 N SER A 86 9.979 7.488 -7.267 1.00 75.22 N ATOM 1360 CA SER A 86 10.215 8.347 -8.435 1.00 50.32 C ATOM 1361 C SER A 86 9.352 9.619 -8.400 1.00 1.33 C ATOM 1362 O SER A 86 8.236 9.615 -7.870 1.00 22.24 O ATOM 1363 CB SER A 86 9.949 7.573 -9.731 1.00 1.11 C ATOM 1364 OG SER A 86 10.112 8.399 -10.876 1.00 73.31 O ATOM 0 H SER A 86 9.523 6.602 -7.486 1.00 75.22 H new ATOM 0 HA SER A 86 11.261 8.653 -8.403 1.00 50.32 H new ATOM 0 HB2 SER A 86 10.629 6.724 -9.794 1.00 1.11 H new ATOM 0 HB3 SER A 86 8.936 7.170 -9.714 1.00 1.11 H new ATOM 0 HG SER A 86 9.937 7.875 -11.685 1.00 73.31 H new ATOM 1370 N GLU A 87 9.881 10.682 -9.016 1.00 74.21 N ATOM 1371 CA GLU A 87 9.313 12.043 -8.958 1.00 11.24 C ATOM 1372 C GLU A 87 7.774 12.093 -9.041 1.00 65.44 C ATOM 1373 O GLU A 87 7.112 12.627 -8.148 1.00 0.33 O ATOM 1374 CB GLU A 87 9.924 12.881 -10.091 1.00 41.34 C ATOM 1375 CG GLU A 87 9.390 14.307 -10.174 1.00 13.43 C ATOM 1376 CD GLU A 87 10.088 15.131 -11.246 1.00 73.20 C ATOM 1377 OE1 GLU A 87 11.161 15.701 -10.959 1.00 21.55 O ATOM 1378 OE2 GLU A 87 9.568 15.210 -12.381 1.00 42.53 O ATOM 0 H GLU A 87 10.730 10.625 -9.579 1.00 74.21 H new ATOM 0 HA GLU A 87 9.567 12.449 -7.979 1.00 11.24 H new ATOM 0 HB2 GLU A 87 11.005 12.917 -9.958 1.00 41.34 H new ATOM 0 HB3 GLU A 87 9.736 12.379 -11.040 1.00 41.34 H new ATOM 0 HG2 GLU A 87 8.320 14.279 -10.381 1.00 13.43 H new ATOM 0 HG3 GLU A 87 9.515 14.795 -9.207 1.00 13.43 H new ATOM 1385 N ILE A 88 7.202 11.528 -10.100 1.00 33.44 N ATOM 1386 CA ILE A 88 5.750 11.619 -10.331 1.00 0.42 C ATOM 1387 C ILE A 88 4.942 10.608 -9.490 1.00 61.03 C ATOM 1388 O ILE A 88 3.799 10.279 -9.819 1.00 10.42 O ATOM 1389 CB ILE A 88 5.413 11.476 -11.846 1.00 23.53 C ATOM 1390 CG1 ILE A 88 6.079 10.230 -12.478 1.00 24.42 C ATOM 1391 CG2 ILE A 88 5.832 12.741 -12.595 1.00 60.23 C ATOM 1392 CD1 ILE A 88 5.400 8.913 -12.155 1.00 5.02 C ATOM 0 H ILE A 88 7.711 11.004 -10.812 1.00 33.44 H new ATOM 0 HA ILE A 88 5.448 12.612 -9.999 1.00 0.42 H new ATOM 0 HB ILE A 88 4.335 11.342 -11.932 1.00 23.53 H new ATOM 0 HG12 ILE A 88 6.099 10.356 -13.560 1.00 24.42 H new ATOM 0 HG13 ILE A 88 7.115 10.180 -12.143 1.00 24.42 H new ATOM 0 HG21 ILE A 88 5.593 12.633 -13.653 1.00 60.23 H new ATOM 0 HG22 ILE A 88 5.297 13.599 -12.188 1.00 60.23 H new ATOM 0 HG23 ILE A 88 6.905 12.894 -12.479 1.00 60.23 H new ATOM 0 HD11 ILE A 88 5.937 8.098 -12.641 1.00 5.02 H new ATOM 0 HD12 ILE A 88 5.403 8.757 -11.076 1.00 5.02 H new ATOM 0 HD13 ILE A 88 4.372 8.936 -12.515 1.00 5.02 H new ATOM 1404 N GLY A 89 5.525 10.151 -8.384 1.00 74.33 N ATOM 1405 CA GLY A 89 4.846 9.204 -7.510 1.00 12.22 C ATOM 1406 C GLY A 89 4.833 7.787 -8.067 1.00 60.11 C ATOM 1407 O GLY A 89 3.795 7.121 -8.077 1.00 42.44 O ATOM 0 H GLY A 89 6.459 10.420 -8.075 1.00 74.33 H new ATOM 0 HA2 GLY A 89 5.335 9.201 -6.536 1.00 12.22 H new ATOM 0 HA3 GLY A 89 3.820 9.536 -7.351 1.00 12.22 H new ATOM 1411 N LYS A 90 5.990 7.322 -8.535 1.00 61.44 N ATOM 1412 CA LYS A 90 6.112 5.972 -9.107 1.00 73.53 C ATOM 1413 C LYS A 90 7.067 5.110 -8.269 1.00 61.20 C ATOM 1414 O LYS A 90 8.160 5.542 -7.915 1.00 72.20 O ATOM 1415 CB LYS A 90 6.584 6.065 -10.571 1.00 45.10 C ATOM 1416 CG LYS A 90 6.539 4.752 -11.362 1.00 42.42 C ATOM 1417 CD LYS A 90 7.751 3.858 -11.095 1.00 34.24 C ATOM 1418 CE LYS A 90 7.708 2.581 -11.927 1.00 44.11 C ATOM 1419 NZ LYS A 90 7.715 2.864 -13.387 1.00 20.22 N ATOM 0 H LYS A 90 6.859 7.856 -8.532 1.00 61.44 H new ATOM 0 HA LYS A 90 5.134 5.490 -9.089 1.00 73.53 H new ATOM 0 HB2 LYS A 90 5.968 6.802 -11.087 1.00 45.10 H new ATOM 0 HB3 LYS A 90 7.607 6.441 -10.582 1.00 45.10 H new ATOM 0 HG2 LYS A 90 5.629 4.209 -11.105 1.00 42.42 H new ATOM 0 HG3 LYS A 90 6.486 4.976 -12.427 1.00 42.42 H new ATOM 0 HD2 LYS A 90 8.665 4.408 -11.320 1.00 34.24 H new ATOM 0 HD3 LYS A 90 7.787 3.601 -10.036 1.00 34.24 H new ATOM 0 HE2 LYS A 90 8.565 1.956 -11.675 1.00 44.11 H new ATOM 0 HE3 LYS A 90 6.813 2.013 -11.673 1.00 44.11 H new ATOM 0 HZ1 LYS A 90 7.923 1.989 -13.909 1.00 20.22 H new ATOM 0 HZ2 LYS A 90 6.784 3.226 -13.675 1.00 20.22 H new ATOM 0 HZ3 LYS A 90 8.444 3.575 -13.599 1.00 20.22 H new ATOM 1433 N ILE A 91 6.647 3.887 -7.967 1.00 20.42 N ATOM 1434 CA ILE A 91 7.419 2.982 -7.110 1.00 41.42 C ATOM 1435 C ILE A 91 7.764 1.675 -7.843 1.00 22.12 C ATOM 1436 O ILE A 91 6.962 1.152 -8.618 1.00 11.24 O ATOM 1437 CB ILE A 91 6.625 2.657 -5.823 1.00 52.43 C ATOM 1438 CG1 ILE A 91 6.214 3.962 -5.122 1.00 63.11 C ATOM 1439 CG2 ILE A 91 7.442 1.766 -4.884 1.00 63.35 C ATOM 1440 CD1 ILE A 91 5.236 3.764 -3.989 1.00 0.00 C ATOM 0 H ILE A 91 5.769 3.493 -8.304 1.00 20.42 H new ATOM 0 HA ILE A 91 8.349 3.487 -6.849 1.00 41.42 H new ATOM 0 HB ILE A 91 5.725 2.107 -6.097 1.00 52.43 H new ATOM 0 HG12 ILE A 91 7.107 4.453 -4.737 1.00 63.11 H new ATOM 0 HG13 ILE A 91 5.772 4.635 -5.857 1.00 63.11 H new ATOM 0 HG21 ILE A 91 6.860 1.553 -3.987 1.00 63.35 H new ATOM 0 HG22 ILE A 91 7.685 0.831 -5.389 1.00 63.35 H new ATOM 0 HG23 ILE A 91 8.363 2.278 -4.606 1.00 63.35 H new ATOM 0 HD11 ILE A 91 4.994 4.729 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.326 3.302 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.681 3.118 -3.233 1.00 0.00 H new ATOM 1452 N ALA A 92 8.963 1.157 -7.600 1.00 42.24 N ATOM 1453 CA ALA A 92 9.419 -0.072 -8.250 1.00 14.41 C ATOM 1454 C ALA A 92 8.796 -1.328 -7.613 1.00 2.33 C ATOM 1455 O ALA A 92 9.307 -1.858 -6.622 1.00 14.23 O ATOM 1456 CB ALA A 92 10.941 -0.148 -8.211 1.00 22.41 C ATOM 0 H ALA A 92 9.640 1.568 -6.957 1.00 42.24 H new ATOM 0 HA ALA A 92 9.087 -0.042 -9.288 1.00 14.41 H new ATOM 0 HB1 ALA A 92 11.272 -1.066 -8.697 1.00 22.41 H new ATOM 0 HB2 ALA A 92 11.362 0.711 -8.733 1.00 22.41 H new ATOM 0 HB3 ALA A 92 11.279 -0.144 -7.175 1.00 22.41 H new ATOM 1462 N LEU A 93 7.694 -1.800 -8.202 1.00 63.34 N ATOM 1463 CA LEU A 93 6.997 -3.005 -7.722 1.00 61.35 C ATOM 1464 C LEU A 93 7.871 -4.264 -7.823 1.00 65.12 C ATOM 1465 O LEU A 93 7.521 -5.306 -7.279 1.00 4.10 O ATOM 1466 CB LEU A 93 5.692 -3.226 -8.506 1.00 34.12 C ATOM 1467 CG LEU A 93 4.519 -2.311 -8.125 1.00 52.21 C ATOM 1468 CD1 LEU A 93 3.305 -2.606 -9.004 1.00 42.53 C ATOM 1469 CD2 LEU A 93 4.169 -2.481 -6.648 1.00 43.42 C ATOM 0 H LEU A 93 7.260 -1.366 -9.017 1.00 63.34 H new ATOM 0 HA LEU A 93 6.770 -2.836 -6.669 1.00 61.35 H new ATOM 0 HB2 LEU A 93 5.901 -3.093 -9.567 1.00 34.12 H new ATOM 0 HB3 LEU A 93 5.379 -4.261 -8.370 1.00 34.12 H new ATOM 0 HG LEU A 93 4.818 -1.276 -8.290 1.00 52.21 H new ATOM 0 HD11 LEU A 93 2.483 -1.949 -8.721 1.00 42.53 H new ATOM 0 HD12 LEU A 93 3.563 -2.435 -10.049 1.00 42.53 H new ATOM 0 HD13 LEU A 93 3.002 -3.645 -8.870 1.00 42.53 H new ATOM 0 HD21 LEU A 93 3.336 -1.826 -6.394 1.00 43.42 H new ATOM 0 HD22 LEU A 93 3.887 -3.517 -6.458 1.00 43.42 H new ATOM 0 HD23 LEU A 93 5.034 -2.222 -6.037 1.00 43.42 H new ATOM 1481 N ARG A 94 8.979 -4.177 -8.550 1.00 74.45 N ATOM 1482 CA ARG A 94 9.935 -5.289 -8.647 1.00 14.35 C ATOM 1483 C ARG A 94 11.014 -5.206 -7.551 1.00 22.23 C ATOM 1484 O ARG A 94 11.292 -6.185 -6.857 1.00 71.02 O ATOM 1485 CB ARG A 94 10.593 -5.291 -10.034 1.00 4.44 C ATOM 1486 CG ARG A 94 11.729 -6.300 -10.183 1.00 75.41 C ATOM 1487 CD ARG A 94 12.304 -6.298 -11.595 1.00 0.44 C ATOM 1488 NE ARG A 94 12.786 -4.975 -12.002 1.00 40.30 N ATOM 1489 CZ ARG A 94 13.266 -4.705 -13.188 1.00 61.25 C ATOM 1490 NH1 ARG A 94 13.372 -5.633 -14.088 1.00 2.25 N ATOM 1491 NH2 ARG A 94 13.650 -3.503 -13.472 1.00 54.02 N ATOM 0 H ARG A 94 9.243 -3.349 -9.084 1.00 74.45 H new ATOM 0 HA ARG A 94 9.385 -6.219 -8.502 1.00 14.35 H new ATOM 0 HB2 ARG A 94 9.832 -5.503 -10.785 1.00 4.44 H new ATOM 0 HB3 ARG A 94 10.978 -4.293 -10.243 1.00 4.44 H new ATOM 0 HG2 ARG A 94 12.518 -6.067 -9.468 1.00 75.41 H new ATOM 0 HG3 ARG A 94 11.364 -7.298 -9.940 1.00 75.41 H new ATOM 0 HD2 ARG A 94 13.125 -7.013 -11.651 1.00 0.44 H new ATOM 0 HD3 ARG A 94 11.540 -6.634 -12.296 1.00 0.44 H new ATOM 0 HE ARG A 94 12.744 -4.219 -11.319 1.00 40.30 H new ATOM 0 HH11 ARG A 94 13.079 -6.586 -13.874 1.00 2.25 H new ATOM 0 HH12 ARG A 94 13.748 -5.409 -15.009 1.00 2.25 H new ATOM 0 HH21 ARG A 94 13.578 -2.766 -12.771 1.00 54.02 H new ATOM 0 HH22 ARG A 94 14.024 -3.292 -14.397 1.00 54.02 H new ATOM 1505 N LYS A 95 11.609 -4.025 -7.402 1.00 51.41 N ATOM 1506 CA LYS A 95 12.727 -3.816 -6.467 1.00 12.14 C ATOM 1507 C LYS A 95 12.305 -3.957 -4.992 1.00 51.42 C ATOM 1508 O LYS A 95 13.142 -4.217 -4.125 1.00 13.42 O ATOM 1509 CB LYS A 95 13.353 -2.426 -6.713 1.00 64.41 C ATOM 1510 CG LYS A 95 14.771 -2.472 -7.288 1.00 0.32 C ATOM 1511 CD LYS A 95 15.818 -2.753 -6.209 1.00 32.41 C ATOM 1512 CE LYS A 95 16.101 -1.520 -5.358 1.00 13.33 C ATOM 1513 NZ LYS A 95 16.749 -0.439 -6.151 1.00 2.50 N ATOM 0 H LYS A 95 11.338 -3.188 -7.918 1.00 51.41 H new ATOM 0 HA LYS A 95 13.463 -4.597 -6.658 1.00 12.14 H new ATOM 0 HB2 LYS A 95 12.713 -1.867 -7.396 1.00 64.41 H new ATOM 0 HB3 LYS A 95 13.372 -1.876 -5.772 1.00 64.41 H new ATOM 0 HG2 LYS A 95 14.826 -3.243 -8.056 1.00 0.32 H new ATOM 0 HG3 LYS A 95 14.996 -1.522 -7.773 1.00 0.32 H new ATOM 0 HD2 LYS A 95 15.471 -3.564 -5.569 1.00 32.41 H new ATOM 0 HD3 LYS A 95 16.742 -3.090 -6.679 1.00 32.41 H new ATOM 0 HE2 LYS A 95 15.168 -1.150 -4.933 1.00 13.33 H new ATOM 0 HE3 LYS A 95 16.745 -1.795 -4.523 1.00 13.33 H new ATOM 0 HZ1 LYS A 95 17.662 -0.191 -5.719 1.00 2.50 H new ATOM 0 HZ2 LYS A 95 16.905 -0.769 -7.125 1.00 2.50 H new ATOM 0 HZ3 LYS A 95 16.133 0.399 -6.164 1.00 2.50 H new ATOM 1527 N TYR A 96 11.018 -3.778 -4.705 1.00 53.31 N ATOM 1528 CA TYR A 96 10.528 -3.806 -3.318 1.00 23.33 C ATOM 1529 C TYR A 96 9.345 -4.766 -3.138 1.00 22.21 C ATOM 1530 O TYR A 96 8.654 -4.718 -2.125 1.00 44.41 O ATOM 1531 CB TYR A 96 10.131 -2.393 -2.877 1.00 4.31 C ATOM 1532 CG TYR A 96 11.276 -1.404 -2.954 1.00 40.21 C ATOM 1533 CD1 TYR A 96 12.280 -1.404 -1.991 1.00 11.11 C ATOM 1534 CD2 TYR A 96 11.359 -0.477 -3.987 1.00 23.21 C ATOM 1535 CE1 TYR A 96 13.327 -0.510 -2.054 1.00 53.12 C ATOM 1536 CE2 TYR A 96 12.407 0.419 -4.055 1.00 3.42 C ATOM 1537 CZ TYR A 96 13.385 0.397 -3.086 1.00 32.41 C ATOM 1538 OH TYR A 96 14.421 1.295 -3.146 1.00 12.03 O ATOM 0 H TYR A 96 10.295 -3.613 -5.405 1.00 53.31 H new ATOM 0 HA TYR A 96 11.341 -4.173 -2.691 1.00 23.33 H new ATOM 0 HB2 TYR A 96 9.311 -2.040 -3.503 1.00 4.31 H new ATOM 0 HB3 TYR A 96 9.758 -2.429 -1.853 1.00 4.31 H new ATOM 0 HD1 TYR A 96 12.238 -2.117 -1.180 1.00 11.11 H new ATOM 0 HD2 TYR A 96 10.592 -0.458 -4.747 1.00 23.21 H new ATOM 0 HE1 TYR A 96 14.097 -0.522 -1.297 1.00 53.12 H new ATOM 0 HE2 TYR A 96 12.459 1.133 -4.864 1.00 3.42 H new ATOM 0 HH TYR A 96 15.010 1.066 -3.895 1.00 12.03 H new ATOM 1548 N LYS A 97 9.125 -5.644 -4.113 1.00 31.12 N ATOM 1549 CA LYS A 97 7.966 -6.538 -4.105 1.00 45.43 C ATOM 1550 C LYS A 97 7.893 -7.393 -2.832 1.00 44.14 C ATOM 1551 O LYS A 97 8.869 -8.043 -2.448 1.00 23.33 O ATOM 1552 CB LYS A 97 7.999 -7.449 -5.331 1.00 73.32 C ATOM 1553 CG LYS A 97 6.753 -8.311 -5.477 1.00 45.13 C ATOM 1554 CD LYS A 97 6.714 -9.014 -6.827 1.00 41.12 C ATOM 1555 CE LYS A 97 5.536 -9.978 -6.928 1.00 45.13 C ATOM 1556 NZ LYS A 97 5.426 -10.585 -8.280 1.00 71.10 N ATOM 0 H LYS A 97 9.735 -5.757 -4.922 1.00 31.12 H new ATOM 0 HA LYS A 97 7.077 -5.908 -4.130 1.00 45.43 H new ATOM 0 HB2 LYS A 97 8.116 -6.838 -6.226 1.00 73.32 H new ATOM 0 HB3 LYS A 97 8.874 -8.096 -5.270 1.00 73.32 H new ATOM 0 HG2 LYS A 97 6.727 -9.053 -4.679 1.00 45.13 H new ATOM 0 HG3 LYS A 97 5.865 -7.690 -5.364 1.00 45.13 H new ATOM 0 HD2 LYS A 97 6.646 -8.271 -7.622 1.00 41.12 H new ATOM 0 HD3 LYS A 97 7.645 -9.560 -6.980 1.00 41.12 H new ATOM 0 HE2 LYS A 97 5.649 -10.767 -6.185 1.00 45.13 H new ATOM 0 HE3 LYS A 97 4.613 -9.448 -6.693 1.00 45.13 H new ATOM 0 HZ1 LYS A 97 4.613 -11.233 -8.305 1.00 71.10 H new ATOM 0 HZ2 LYS A 97 5.292 -9.835 -8.988 1.00 71.10 H new ATOM 0 HZ3 LYS A 97 6.296 -11.113 -8.495 1.00 71.10 H new ATOM 1570 N TRP A 98 6.730 -7.383 -2.186 1.00 62.12 N ATOM 1571 CA TRP A 98 6.490 -8.227 -1.017 1.00 11.21 C ATOM 1572 C TRP A 98 6.709 -9.713 -1.345 1.00 43.42 C ATOM 1573 O TRP A 98 5.987 -10.300 -2.154 1.00 43.41 O ATOM 1574 CB TRP A 98 5.063 -8.010 -0.481 1.00 74.12 C ATOM 1575 CG TRP A 98 4.684 -8.947 0.636 1.00 12.43 C ATOM 1576 CD1 TRP A 98 5.520 -9.519 1.554 1.00 31.10 C ATOM 1577 CD2 TRP A 98 3.367 -9.415 0.954 1.00 42.04 C ATOM 1578 NE1 TRP A 98 4.807 -10.313 2.414 1.00 75.24 N ATOM 1579 CE2 TRP A 98 3.484 -10.264 2.070 1.00 42.21 C ATOM 1580 CE3 TRP A 98 2.100 -9.197 0.404 1.00 42.53 C ATOM 1581 CZ2 TRP A 98 2.385 -10.898 2.641 1.00 75.34 C ATOM 1582 CZ3 TRP A 98 1.010 -9.823 0.976 1.00 21.52 C ATOM 1583 CH2 TRP A 98 1.158 -10.664 2.086 1.00 13.04 C ATOM 0 H TRP A 98 5.937 -6.799 -2.452 1.00 62.12 H new ATOM 0 HA TRP A 98 7.207 -7.940 -0.248 1.00 11.21 H new ATOM 0 HB2 TRP A 98 4.970 -6.983 -0.128 1.00 74.12 H new ATOM 0 HB3 TRP A 98 4.355 -8.131 -1.301 1.00 74.12 H new ATOM 0 HD1 TRP A 98 6.588 -9.367 1.596 1.00 31.10 H new ATOM 0 HE1 TRP A 98 5.199 -10.853 3.185 1.00 75.24 H new ATOM 0 HE3 TRP A 98 1.976 -8.551 -0.452 1.00 42.53 H new ATOM 0 HZ2 TRP A 98 2.497 -11.552 3.493 1.00 75.34 H new ATOM 0 HZ3 TRP A 98 0.026 -9.661 0.560 1.00 21.52 H new ATOM 0 HH2 TRP A 98 0.285 -11.137 2.512 1.00 13.04 H new ATOM 1594 N GLN A 99 7.717 -10.310 -0.718 1.00 43.31 N ATOM 1595 CA GLN A 99 7.968 -11.745 -0.845 1.00 74.22 C ATOM 1596 C GLN A 99 7.528 -12.479 0.439 1.00 70.40 C ATOM 1597 O GLN A 99 8.260 -12.516 1.431 1.00 74.42 O ATOM 1598 CB GLN A 99 9.455 -11.997 -1.132 1.00 54.15 C ATOM 1599 CG GLN A 99 9.809 -13.466 -1.330 1.00 51.23 C ATOM 1600 CD GLN A 99 11.287 -13.672 -1.607 1.00 3.02 C ATOM 1601 OE1 GLN A 99 12.081 -13.835 -0.688 1.00 34.41 O ATOM 1602 NE2 GLN A 99 11.672 -13.658 -2.869 1.00 61.30 N ATOM 0 H GLN A 99 8.377 -9.821 -0.114 1.00 43.31 H new ATOM 0 HA GLN A 99 7.385 -12.134 -1.679 1.00 74.22 H new ATOM 0 HB2 GLN A 99 9.741 -11.442 -2.025 1.00 54.15 H new ATOM 0 HB3 GLN A 99 10.046 -11.600 -0.307 1.00 54.15 H new ATOM 0 HG2 GLN A 99 9.527 -14.028 -0.440 1.00 51.23 H new ATOM 0 HG3 GLN A 99 9.227 -13.869 -2.159 1.00 51.23 H new ATOM 0 HE21 GLN A 99 10.985 -13.520 -3.610 1.00 61.30 H new ATOM 0 HE22 GLN A 99 12.657 -13.785 -3.103 1.00 61.30 H new ATOM 1611 N PRO A 100 6.302 -13.041 0.445 1.00 2.30 N ATOM 1612 CA PRO A 100 5.742 -13.751 1.618 1.00 32.02 C ATOM 1613 C PRO A 100 6.450 -15.080 1.942 1.00 51.44 C ATOM 1614 O PRO A 100 6.090 -15.760 2.906 1.00 61.43 O ATOM 1615 CB PRO A 100 4.282 -14.003 1.211 1.00 11.22 C ATOM 1616 CG PRO A 100 4.301 -14.007 -0.280 1.00 70.23 C ATOM 1617 CD PRO A 100 5.347 -13.003 -0.679 1.00 54.01 C ATOM 0 HA PRO A 100 5.863 -13.163 2.528 1.00 32.02 H new ATOM 0 HB2 PRO A 100 3.919 -14.952 1.605 1.00 11.22 H new ATOM 0 HB3 PRO A 100 3.623 -13.225 1.597 1.00 11.22 H new ATOM 0 HG2 PRO A 100 4.543 -14.998 -0.665 1.00 70.23 H new ATOM 0 HG3 PRO A 100 3.325 -13.737 -0.684 1.00 70.23 H new ATOM 0 HD2 PRO A 100 5.824 -13.272 -1.621 1.00 54.01 H new ATOM 0 HD3 PRO A 100 4.920 -12.009 -0.811 1.00 54.01 H new ATOM 1625 N LEU A 101 7.451 -15.439 1.135 1.00 44.25 N ATOM 1626 CA LEU A 101 8.222 -16.677 1.326 1.00 71.13 C ATOM 1627 C LEU A 101 7.336 -17.923 1.168 1.00 65.54 C ATOM 1628 O LEU A 101 6.972 -18.580 2.147 1.00 30.33 O ATOM 1629 CB LEU A 101 8.933 -16.684 2.692 1.00 32.42 C ATOM 1630 CG LEU A 101 9.910 -15.517 2.930 1.00 35.14 C ATOM 1631 CD1 LEU A 101 10.545 -15.610 4.316 1.00 73.51 C ATOM 1632 CD2 LEU A 101 10.985 -15.481 1.844 1.00 13.51 C ATOM 0 H LEU A 101 7.752 -14.885 0.333 1.00 44.25 H new ATOM 0 HA LEU A 101 8.983 -16.709 0.546 1.00 71.13 H new ATOM 0 HB2 LEU A 101 8.177 -16.669 3.477 1.00 32.42 H new ATOM 0 HB3 LEU A 101 9.480 -17.621 2.794 1.00 32.42 H new ATOM 0 HG LEU A 101 9.343 -14.587 2.880 1.00 35.14 H new ATOM 0 HD11 LEU A 101 11.230 -14.775 4.459 1.00 73.51 H new ATOM 0 HD12 LEU A 101 9.765 -15.574 5.077 1.00 73.51 H new ATOM 0 HD13 LEU A 101 11.093 -16.548 4.403 1.00 73.51 H new ATOM 0 HD21 LEU A 101 11.664 -14.649 2.032 1.00 13.51 H new ATOM 0 HD22 LEU A 101 11.545 -16.416 1.855 1.00 13.51 H new ATOM 0 HD23 LEU A 101 10.514 -15.352 0.870 1.00 13.51 H new ATOM 1644 N GLU A 102 6.979 -18.226 -0.077 1.00 12.31 N ATOM 1645 CA GLU A 102 6.135 -19.386 -0.400 1.00 31.30 C ATOM 1646 C GLU A 102 6.435 -19.928 -1.817 1.00 53.22 C ATOM 1647 O GLU A 102 7.281 -20.843 -1.929 1.00 37.86 O ATOM 1648 CB GLU A 102 4.648 -19.018 -0.247 1.00 52.01 C ATOM 1649 CG GLU A 102 4.284 -17.654 -0.824 1.00 74.01 C ATOM 1650 CD GLU A 102 2.802 -17.341 -0.721 1.00 13.04 C ATOM 1651 OE1 GLU A 102 2.335 -16.990 0.384 1.00 10.21 O ATOM 1652 OE2 GLU A 102 2.098 -17.427 -1.751 1.00 11.55 O ATOM 0 H GLU A 102 7.262 -17.681 -0.891 1.00 12.31 H new ATOM 0 HA GLU A 102 6.368 -20.185 0.304 1.00 31.30 H new ATOM 0 HB2 GLU A 102 4.043 -19.781 -0.737 1.00 52.01 H new ATOM 0 HB3 GLU A 102 4.387 -19.035 0.811 1.00 52.01 H new ATOM 0 HG2 GLU A 102 4.850 -16.882 -0.302 1.00 74.01 H new ATOM 0 HG3 GLU A 102 4.585 -17.617 -1.871 1.00 74.01 H new TER 1659 GLU A 102