USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 811 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 102 THR OG1 : rot -163:sc= -0.929! USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -3.89! C(o=-6.3!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.32) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 19 THR OG1 : rot -128:sc= -5.11! USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= -3.01! (180deg=-7.48!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.145 K(o=0.14,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -0.0449 (180deg=-0.804) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 31 ASN : amide:sc= -5.9! C(o=-5.9!,f=-13!) USER MOD Single : A 33 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ 135:sc= -3.83! (180deg=-8.47!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -4.56! USER MOD Single : A 42 GLN : amide:sc= -15.9! C(o=-16!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.27 F(o=-2.8!,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= -3.12! (180deg=-8.09!) USER MOD Single : A 54 ASN :FLIP amide:sc= -3.92! C(o=-9.4!,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 44:sc= 0.313! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 174:sc= -7.9! (180deg=-8.31!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc=-0.00762 (180deg=-0.00762) USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= -0.737 (180deg=-1.4) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc=-0.00384 (180deg=-0.0806) USER MOD Single : A 80 MET CE :methyl 147:sc= -1.06! (180deg=-3.37!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 142:sc= -0.146 (180deg=-0.83) USER MOD Single : A 88 LYS NZ :NH3+ -111:sc= -5.24! (180deg=-8.77!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -121:sc= -11.6! (180deg=-15.3!) USER MOD Single : A 100 LYS NZ :NH3+ -105:sc= -3.23! (180deg=-5.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.516 4.381 -1.224 1.00 0.00 N ATOM 2 CA GLY A 1 -17.139 4.406 -0.658 1.00 0.00 C ATOM 3 C GLY A 1 -16.619 5.817 -0.459 1.00 0.00 C ATOM 4 O GLY A 1 -16.495 6.580 -1.415 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.825 3.395 -1.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.166 4.874 -0.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.520 4.857 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.133 3.882 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.466 3.865 -1.323 1.00 0.00 H new ATOM 10 N ASP A 2 -16.258 5.986 0.846 1.00 0.00 N ATOM 11 CA ASP A 2 -15.762 7.340 1.122 1.00 0.00 C ATOM 12 C ASP A 2 -14.263 7.323 1.663 1.00 0.00 C ATOM 13 O ASP A 2 -13.855 6.240 2.117 1.00 0.00 O ATOM 14 CB ASP A 2 -16.676 8.036 2.241 1.00 0.00 C ATOM 15 CG ASP A 2 -18.083 7.773 1.945 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.423 7.411 0.822 1.00 0.00 O ATOM 17 OD2 ASP A 2 -18.969 8.032 2.829 1.00 0.00 O ATOM 0 H ASP A 2 -16.293 5.311 1.610 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.798 7.892 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.421 7.649 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.491 9.110 2.262 1.00 0.00 H new ATOM 22 N VAL A 3 -13.574 8.426 1.513 1.00 0.00 N ATOM 23 CA VAL A 3 -12.206 8.494 2.016 1.00 0.00 C ATOM 24 C VAL A 3 -12.103 8.251 3.537 1.00 0.00 C ATOM 25 O VAL A 3 -11.249 7.504 4.035 1.00 0.00 O ATOM 26 CB VAL A 3 -11.574 9.793 1.678 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.544 10.147 2.713 1.00 0.00 C ATOM 28 CG2 VAL A 3 -10.896 9.763 0.248 1.00 0.00 C ATOM 0 H VAL A 3 -13.917 9.274 1.061 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.670 7.685 1.519 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.361 10.547 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.085 11.102 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.021 10.224 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.778 9.372 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.445 10.733 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.125 8.992 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.650 9.543 -0.508 1.00 0.00 H new ATOM 38 N GLU A 4 -13.020 8.860 4.263 1.00 0.00 N ATOM 39 CA GLU A 4 -12.989 8.666 5.730 1.00 0.00 C ATOM 40 C GLU A 4 -13.120 7.199 6.126 1.00 0.00 C ATOM 41 O GLU A 4 -12.393 6.732 7.027 1.00 0.00 O ATOM 42 CB GLU A 4 -14.215 9.496 6.392 1.00 0.00 C ATOM 43 CG GLU A 4 -14.376 9.249 7.829 1.00 0.00 C ATOM 44 CD GLU A 4 -15.630 9.757 8.399 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.500 8.911 8.848 1.00 0.00 O ATOM 46 OE2 GLU A 4 -15.934 10.999 8.276 1.00 0.00 O ATOM 0 H GLU A 4 -13.761 9.462 3.905 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.024 9.023 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.052 10.562 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.141 9.233 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.319 8.175 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.540 9.706 8.359 1.00 0.00 H new ATOM 53 N LYS A 5 -14.076 6.503 5.503 1.00 0.00 N ATOM 54 CA LYS A 5 -14.350 5.092 5.783 1.00 0.00 C ATOM 55 C LYS A 5 -13.133 4.228 5.366 1.00 0.00 C ATOM 56 O LYS A 5 -12.720 3.316 6.144 1.00 0.00 O ATOM 57 CB LYS A 5 -15.544 4.606 5.037 1.00 0.00 C ATOM 58 CG LYS A 5 -16.826 5.433 5.291 1.00 0.00 C ATOM 59 CD LYS A 5 -18.029 4.455 5.502 1.00 0.00 C ATOM 60 CE LYS A 5 -18.823 4.420 4.192 1.00 0.00 C ATOM 61 NZ LYS A 5 -18.990 2.984 3.719 1.00 0.00 N ATOM 0 H LYS A 5 -14.683 6.904 4.788 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.540 5.003 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.322 4.618 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.733 3.568 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.698 6.067 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.021 6.094 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.673 3.458 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.659 4.793 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.801 4.879 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.308 5.004 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.530 2.972 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.054 2.559 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.501 2.438 4.442 1.00 0.00 H new ATOM 75 N GLY A 6 -12.458 4.631 4.248 1.00 0.00 N ATOM 76 CA GLY A 6 -11.311 3.928 3.889 1.00 0.00 C ATOM 77 C GLY A 6 -10.105 3.967 4.853 1.00 0.00 C ATOM 78 O GLY A 6 -9.449 2.978 5.034 1.00 0.00 O ATOM 0 H GLY A 6 -12.717 5.409 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.590 2.884 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.978 4.304 2.922 1.00 0.00 H new ATOM 82 N LYS A 7 -9.902 5.200 5.335 1.00 0.00 N ATOM 83 CA LYS A 7 -8.787 5.342 6.303 1.00 0.00 C ATOM 84 C LYS A 7 -8.901 4.424 7.456 1.00 0.00 C ATOM 85 O LYS A 7 -7.964 3.835 7.856 1.00 0.00 O ATOM 86 CB LYS A 7 -8.773 6.798 6.775 1.00 0.00 C ATOM 87 CG LYS A 7 -8.105 6.989 8.069 1.00 0.00 C ATOM 88 CD LYS A 7 -9.085 7.523 9.181 1.00 0.00 C ATOM 89 CE LYS A 7 -8.513 8.738 9.892 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.091 10.046 9.345 1.00 0.00 N ATOM 0 H LYS A 7 -10.430 6.042 5.107 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.854 5.075 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.274 7.410 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.799 7.157 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.673 6.043 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.280 7.691 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.043 7.782 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.278 6.733 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.724 8.666 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.429 8.746 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.675 10.850 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.868 10.127 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.123 10.050 9.474 1.00 0.00 H new ATOM 104 N LYS A 8 -10.205 4.370 8.042 1.00 0.00 N ATOM 105 CA LYS A 8 -10.473 3.544 9.235 1.00 0.00 C ATOM 106 C LYS A 8 -10.295 2.062 8.934 1.00 0.00 C ATOM 107 O LYS A 8 -9.692 1.330 9.672 1.00 0.00 O ATOM 108 CB LYS A 8 -11.909 3.737 9.749 1.00 0.00 C ATOM 109 CG LYS A 8 -12.430 2.556 10.483 1.00 0.00 C ATOM 110 CD LYS A 8 -13.133 1.587 9.589 1.00 0.00 C ATOM 111 CE LYS A 8 -14.315 2.146 8.844 1.00 0.00 C ATOM 112 NZ LYS A 8 -15.362 2.572 9.686 1.00 0.00 N ATOM 0 H LYS A 8 -11.014 4.881 7.689 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.758 3.868 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.940 4.607 10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.565 3.951 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.604 2.050 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.116 2.890 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.417 1.200 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.469 0.741 10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.985 2.987 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.695 1.387 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.142 2.945 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.703 1.768 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.015 3.318 10.322 1.00 0.00 H new ATOM 126 N ILE A 9 -10.692 1.666 7.716 1.00 0.00 N ATOM 127 CA ILE A 9 -10.548 0.283 7.284 1.00 0.00 C ATOM 128 C ILE A 9 -9.079 -0.114 7.214 1.00 0.00 C ATOM 129 O ILE A 9 -8.704 -1.207 7.789 1.00 0.00 O ATOM 130 CB ILE A 9 -11.198 0.052 5.905 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.653 -0.387 6.070 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.411 -0.984 5.117 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.375 -0.590 4.756 1.00 0.00 C ATOM 0 H ILE A 9 -11.112 2.285 7.022 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.057 -0.336 8.023 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.183 0.990 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.681 -1.317 6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.186 0.362 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.881 -1.137 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.389 -0.633 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.398 -1.926 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.402 -0.901 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.378 0.344 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.866 -1.360 4.176 1.00 0.00 H new ATOM 145 N PHE A 10 -8.290 0.782 6.572 1.00 0.00 N ATOM 146 CA PHE A 10 -6.826 0.499 6.512 1.00 0.00 C ATOM 147 C PHE A 10 -6.160 0.450 7.829 1.00 0.00 C ATOM 148 O PHE A 10 -5.250 -0.296 8.070 1.00 0.00 O ATOM 149 CB PHE A 10 -6.179 1.571 5.631 1.00 0.00 C ATOM 150 CG PHE A 10 -4.725 1.776 5.855 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.794 1.250 4.921 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.283 2.445 6.986 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.381 1.475 5.204 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.990 2.630 7.218 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.047 2.074 6.324 1.00 0.00 C ATOM 0 H PHE A 10 -8.603 1.641 6.120 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.701 -0.501 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.336 1.304 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.694 2.517 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.117 0.709 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.006 2.823 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.623 1.155 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.663 3.197 8.077 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.999 2.145 6.575 1.00 0.00 H new ATOM 220 N CYS A 14 -4.427 -3.244 8.739 1.00 0.00 N ATOM 221 CA CYS A 14 -3.096 -3.675 8.758 1.00 0.00 C ATOM 222 C CYS A 14 -2.066 -2.658 9.009 1.00 0.00 C ATOM 223 O CYS A 14 -0.858 -2.697 8.732 1.00 0.00 O ATOM 224 CB CYS A 14 -2.654 -4.581 7.507 1.00 0.00 C ATOM 225 SG CYS A 14 -3.238 -4.011 5.794 1.00 0.00 S ATOM 0 HA CYS A 14 -3.132 -4.301 9.650 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.565 -4.636 7.494 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.023 -5.593 7.673 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.803 -4.838 4.890 1.00 0.00 H new ATOM 230 N ALA A 15 -2.619 -1.361 9.340 1.00 0.00 N ATOM 231 CA ALA A 15 -1.777 -0.191 9.547 1.00 0.00 C ATOM 232 C ALA A 15 -0.637 -0.547 10.588 1.00 0.00 C ATOM 233 O ALA A 15 0.452 0.085 10.397 1.00 0.00 O ATOM 234 CB ALA A 15 -2.604 0.969 10.080 1.00 0.00 C ATOM 0 H ALA A 15 -3.617 -1.182 9.449 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.334 0.101 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.961 1.836 10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.387 1.217 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.058 0.686 11.030 1.00 0.00 H new ATOM 240 N GLN A 16 -0.679 -1.672 11.454 1.00 0.00 N ATOM 241 CA GLN A 16 0.447 -2.025 12.349 1.00 0.00 C ATOM 242 C GLN A 16 1.714 -2.457 11.524 1.00 0.00 C ATOM 243 O GLN A 16 2.845 -2.144 11.916 1.00 0.00 O ATOM 244 CB GLN A 16 0.060 -3.109 13.292 1.00 0.00 C ATOM 245 CG GLN A 16 -1.481 -3.244 13.446 1.00 0.00 C ATOM 246 CD GLN A 16 -1.902 -4.092 14.672 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.660 -5.025 14.565 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.342 -3.703 15.826 1.00 0.00 N ATOM 0 H GLN A 16 -1.476 -2.305 11.518 1.00 0.00 H new ATOM 0 HA GLN A 16 0.697 -1.134 12.926 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.471 -4.055 12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.503 -2.912 14.268 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.919 -2.250 13.533 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.891 -3.695 12.543 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.709 -2.903 15.842 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.549 -4.207 16.689 1.00 0.00 H new ATOM 257 N CYS A 17 1.416 -3.106 10.425 1.00 0.00 N ATOM 258 CA CYS A 17 2.541 -3.612 9.502 1.00 0.00 C ATOM 259 C CYS A 17 3.016 -2.483 8.639 1.00 0.00 C ATOM 260 O CYS A 17 4.137 -2.552 8.231 1.00 0.00 O ATOM 261 CB CYS A 17 1.978 -4.786 8.647 1.00 0.00 C ATOM 262 SG CYS A 17 1.894 -6.348 9.480 1.00 0.00 S ATOM 0 H CYS A 17 0.469 -3.316 10.111 1.00 0.00 H new ATOM 0 HA CYS A 17 3.392 -3.973 10.080 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.978 -4.519 8.305 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.599 -4.898 7.758 1.00 0.00 H new ATOM 0 HG CYS A 17 1.410 -7.245 8.673 1.00 0.00 H new ATOM 267 N HIS A 18 2.280 -1.391 8.564 1.00 0.00 N ATOM 268 CA HIS A 18 2.718 -0.255 7.804 1.00 0.00 C ATOM 269 C HIS A 18 2.855 0.967 8.653 1.00 0.00 C ATOM 270 O HIS A 18 2.894 2.107 8.221 1.00 0.00 O ATOM 271 CB HIS A 18 1.619 0.052 6.693 1.00 0.00 C ATOM 272 CG HIS A 18 1.299 -1.058 5.771 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.445 -1.088 4.364 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.930 -2.374 6.101 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.082 -2.184 3.888 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.790 -3.073 4.846 1.00 0.00 N ATOM 0 H HIS A 18 1.377 -1.274 9.023 1.00 0.00 H new ATOM 0 HA HIS A 18 3.691 -0.491 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.700 0.357 7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.957 0.903 6.101 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.782 -2.779 7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.012 -2.390 2.830 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.522 -4.049 4.715 1.00 0.00 H new ATOM 284 N THR A 19 3.046 0.707 9.969 1.00 0.00 N ATOM 285 CA THR A 19 3.342 1.749 10.922 1.00 0.00 C ATOM 286 C THR A 19 2.280 2.849 10.745 1.00 0.00 C ATOM 287 O THR A 19 1.593 2.972 9.763 1.00 0.00 O ATOM 288 CB THR A 19 4.743 2.432 10.762 1.00 0.00 C ATOM 289 OG1 THR A 19 5.713 1.420 10.703 1.00 0.00 O ATOM 290 CG2 THR A 19 5.003 3.430 11.742 1.00 0.00 C ATOM 0 H THR A 19 2.995 -0.228 10.374 1.00 0.00 H new ATOM 0 HA THR A 19 3.343 1.271 11.902 1.00 0.00 H new ATOM 0 HB THR A 19 4.768 2.998 9.831 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.416 1.602 11.361 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.990 3.860 11.570 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.248 4.214 11.672 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.970 2.982 12.735 1.00 0.00 H new ATOM 298 N VAL A 20 2.089 3.671 11.843 1.00 0.00 N ATOM 299 CA VAL A 20 1.123 4.679 11.809 1.00 0.00 C ATOM 300 C VAL A 20 1.656 5.976 11.213 1.00 0.00 C ATOM 301 O VAL A 20 2.339 5.916 10.220 1.00 0.00 O ATOM 302 CB VAL A 20 0.619 4.978 13.260 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.747 5.759 13.258 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.570 3.767 14.113 1.00 0.00 C ATOM 0 H VAL A 20 2.614 3.605 12.715 1.00 0.00 H new ATOM 0 HA VAL A 20 0.312 4.318 11.177 1.00 0.00 H new ATOM 0 HB VAL A 20 1.362 5.635 13.713 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.061 5.946 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.622 6.709 12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.506 5.164 12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.213 4.036 15.107 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.107 3.037 13.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.568 3.336 14.190 1.00 0.00 H new ATOM 314 N GLU A 21 1.353 7.135 11.782 1.00 0.00 N ATOM 315 CA GLU A 21 1.840 8.402 11.364 1.00 0.00 C ATOM 316 C GLU A 21 3.357 8.519 11.438 1.00 0.00 C ATOM 317 O GLU A 21 3.979 8.037 12.336 1.00 0.00 O ATOM 318 CB GLU A 21 1.165 9.570 12.151 1.00 0.00 C ATOM 319 CG GLU A 21 0.019 9.084 13.052 1.00 0.00 C ATOM 320 CD GLU A 21 -0.586 10.223 13.796 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.728 10.061 14.242 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.002 11.332 13.920 1.00 0.00 O ATOM 0 H GLU A 21 0.728 7.198 12.586 1.00 0.00 H new ATOM 0 HA GLU A 21 1.566 8.486 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.914 10.074 12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.781 10.306 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.743 8.593 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.394 8.341 13.756 1.00 0.00 H new ATOM 329 N LYS A 22 3.921 9.187 10.455 1.00 0.00 N ATOM 330 CA LYS A 22 5.379 9.445 10.470 1.00 0.00 C ATOM 331 C LYS A 22 5.866 9.989 11.826 1.00 0.00 C ATOM 332 O LYS A 22 5.391 11.057 12.286 1.00 0.00 O ATOM 333 CB LYS A 22 5.741 10.366 9.317 1.00 0.00 C ATOM 334 CG LYS A 22 7.206 10.218 8.933 1.00 0.00 C ATOM 335 CD LYS A 22 8.177 10.343 10.112 1.00 0.00 C ATOM 336 CE LYS A 22 7.953 11.624 10.840 1.00 0.00 C ATOM 337 NZ LYS A 22 8.699 11.739 12.088 1.00 0.00 N ATOM 0 H LYS A 22 3.424 9.561 9.647 1.00 0.00 H new ATOM 0 HA LYS A 22 5.899 8.496 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.112 10.139 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.538 11.400 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.350 9.247 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.454 10.976 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.042 9.503 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.204 10.298 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.228 12.453 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.889 11.726 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.036 11.876 12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.250 10.871 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.344 12.553 12.033 1.00 0.00 H new ATOM 351 N GLY A 23 6.733 9.218 12.421 1.00 0.00 N ATOM 352 CA GLY A 23 7.285 9.606 13.686 1.00 0.00 C ATOM 353 C GLY A 23 7.630 8.419 14.645 1.00 0.00 C ATOM 354 O GLY A 23 8.550 8.522 15.380 1.00 0.00 O ATOM 0 H GLY A 23 7.069 8.327 12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.191 10.186 13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.577 10.266 14.188 1.00 0.00 H new ATOM 358 N GLY A 24 6.830 7.401 14.458 1.00 0.00 N ATOM 359 CA GLY A 24 7.050 6.210 15.258 1.00 0.00 C ATOM 360 C GLY A 24 8.209 5.378 14.744 1.00 0.00 C ATOM 361 O GLY A 24 9.300 5.897 14.512 1.00 0.00 O ATOM 0 H GLY A 24 6.056 7.362 13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.243 6.499 16.291 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.144 5.604 15.261 1.00 0.00 H new ATOM 365 N LYS A 25 7.971 4.082 14.562 1.00 0.00 N ATOM 366 CA LYS A 25 8.998 3.148 14.088 1.00 0.00 C ATOM 367 C LYS A 25 8.720 2.722 12.692 1.00 0.00 C ATOM 368 O LYS A 25 7.535 2.733 12.180 1.00 0.00 O ATOM 369 CB LYS A 25 9.096 1.999 14.950 1.00 0.00 C ATOM 370 CG LYS A 25 8.357 2.083 16.320 1.00 0.00 C ATOM 371 CD LYS A 25 7.911 0.749 16.753 1.00 0.00 C ATOM 372 CE LYS A 25 6.995 0.102 15.838 1.00 0.00 C ATOM 373 NZ LYS A 25 7.547 -1.228 15.423 1.00 0.00 N ATOM 0 H LYS A 25 7.065 3.647 14.737 1.00 0.00 H new ATOM 0 HA LYS A 25 9.954 3.671 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.711 1.135 14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.152 1.809 15.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.021 2.512 17.071 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.499 2.749 16.236 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.785 0.111 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.431 0.838 17.728 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.023 -0.030 16.314 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.838 0.730 14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.885 -1.689 14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.464 -1.092 14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.675 -1.828 16.263 1.00 0.00 H new ATOM 387 N HIS A 26 9.721 2.310 11.918 1.00 0.00 N ATOM 388 CA HIS A 26 9.546 1.841 10.547 1.00 0.00 C ATOM 389 C HIS A 26 8.683 0.585 10.513 1.00 0.00 C ATOM 390 O HIS A 26 8.796 -0.283 11.376 1.00 0.00 O ATOM 391 CB HIS A 26 10.902 1.560 9.894 1.00 0.00 C ATOM 392 CG HIS A 26 12.070 1.830 10.791 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.275 1.164 11.981 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.101 2.697 10.664 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.381 1.613 12.549 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.901 2.542 11.769 1.00 0.00 N ATOM 0 H HIS A 26 10.692 2.293 12.231 1.00 0.00 H new ATOM 0 HA HIS A 26 9.042 2.627 9.985 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.933 0.518 9.576 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.996 2.170 8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.264 3.383 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.789 1.277 13.491 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.759 3.061 11.957 1.00 0.00 H new ATOM 405 N LYS A 27 7.778 0.549 9.493 1.00 0.00 N ATOM 406 CA LYS A 27 6.928 -0.660 9.385 1.00 0.00 C ATOM 407 C LYS A 27 7.631 -1.827 8.583 1.00 0.00 C ATOM 408 O LYS A 27 8.712 -1.612 7.987 1.00 0.00 O ATOM 409 CB LYS A 27 5.593 -0.236 8.635 1.00 0.00 C ATOM 410 CG LYS A 27 5.740 -0.300 7.173 1.00 0.00 C ATOM 411 CD LYS A 27 5.225 0.938 6.461 1.00 0.00 C ATOM 412 CE LYS A 27 5.669 2.196 7.207 1.00 0.00 C ATOM 413 NZ LYS A 27 6.269 3.231 6.365 1.00 0.00 N ATOM 0 H LYS A 27 7.628 1.276 8.794 1.00 0.00 H new ATOM 0 HA LYS A 27 6.731 -1.041 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.778 -0.890 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.318 0.777 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.793 -0.440 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.206 -1.174 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.600 0.961 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.137 0.906 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.806 2.620 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.388 1.911 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.187 3.513 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.408 2.859 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.639 4.057 6.329 1.00 0.00 H new ATOM 427 N THR A 28 6.944 -2.958 8.478 1.00 0.00 N ATOM 428 CA THR A 28 7.510 -4.123 7.786 1.00 0.00 C ATOM 429 C THR A 28 7.473 -3.790 6.242 1.00 0.00 C ATOM 430 O THR A 28 8.416 -4.180 5.561 1.00 0.00 O ATOM 431 CB THR A 28 6.633 -5.351 8.052 1.00 0.00 C ATOM 432 OG1 THR A 28 6.084 -5.202 9.305 1.00 0.00 O ATOM 433 CG2 THR A 28 7.472 -6.581 8.051 1.00 0.00 C ATOM 0 H THR A 28 6.007 -3.099 8.855 1.00 0.00 H new ATOM 0 HA THR A 28 8.523 -4.332 8.129 1.00 0.00 H new ATOM 0 HB THR A 28 5.864 -5.438 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.514 -5.973 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.843 -7.451 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.958 -6.689 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.230 -6.505 8.830 1.00 0.00 H new ATOM 441 N GLY A 29 6.484 -3.134 5.779 1.00 0.00 N ATOM 442 CA GLY A 29 6.392 -2.816 4.344 1.00 0.00 C ATOM 443 C GLY A 29 5.985 -1.385 4.116 1.00 0.00 C ATOM 444 O GLY A 29 5.134 -0.827 4.864 1.00 0.00 O ATOM 0 H GLY A 29 5.707 -2.790 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.355 -3.001 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.669 -3.480 3.870 1.00 0.00 H new ATOM 448 N PRO A 30 6.430 -0.830 3.020 1.00 0.00 N ATOM 449 CA PRO A 30 6.014 0.593 2.685 1.00 0.00 C ATOM 450 C PRO A 30 4.575 0.838 2.849 1.00 0.00 C ATOM 451 O PRO A 30 3.641 0.145 2.287 1.00 0.00 O ATOM 452 CB PRO A 30 6.351 0.668 1.131 1.00 0.00 C ATOM 453 CG PRO A 30 7.558 -0.243 1.003 1.00 0.00 C ATOM 454 CD PRO A 30 7.350 -1.410 2.040 1.00 0.00 C ATOM 0 HA PRO A 30 6.510 1.317 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.517 0.323 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.578 1.686 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.642 -0.635 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.479 0.302 1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.928 -2.297 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.291 -1.711 2.501 1.00 0.00 H new ATOM 462 N ASN A 31 4.243 1.856 3.634 1.00 0.00 N ATOM 463 CA ASN A 31 2.854 2.193 3.964 1.00 0.00 C ATOM 464 C ASN A 31 2.084 2.480 2.718 1.00 0.00 C ATOM 465 O ASN A 31 1.087 1.812 2.329 1.00 0.00 O ATOM 466 CB ASN A 31 2.831 3.428 4.918 1.00 0.00 C ATOM 467 CG ASN A 31 1.629 3.411 5.841 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.867 2.430 5.832 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.419 4.478 6.558 1.00 0.00 N ATOM 0 H ASN A 31 4.929 2.477 4.064 1.00 0.00 H new ATOM 0 HA ASN A 31 2.387 1.347 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.744 3.444 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.820 4.343 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.593 4.538 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.081 5.253 6.525 1.00 0.00 H new ATOM 476 N LEU A 32 2.529 3.466 1.926 1.00 0.00 N ATOM 477 CA LEU A 32 1.863 3.810 0.775 1.00 0.00 C ATOM 478 C LEU A 32 2.626 4.913 -0.001 1.00 0.00 C ATOM 479 O LEU A 32 2.608 5.028 -1.272 1.00 0.00 O ATOM 480 CB LEU A 32 0.429 4.266 0.846 1.00 0.00 C ATOM 481 CG LEU A 32 -0.106 5.442 1.683 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.474 5.387 3.087 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.289 6.727 0.995 1.00 0.00 C ATOM 0 H LEU A 32 3.367 4.016 2.112 1.00 0.00 H new ATOM 0 HA LEU A 32 1.831 2.837 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.137 4.480 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.142 3.394 1.165 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.191 5.386 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.090 6.223 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.187 4.449 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.561 5.450 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.080 7.576 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.375 6.782 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.143 6.752 -0.005 1.00 0.00 H new ATOM 495 N HIS A 33 3.349 5.757 0.727 1.00 0.00 N ATOM 496 CA HIS A 33 4.131 6.850 0.160 1.00 0.00 C ATOM 497 C HIS A 33 5.006 6.353 -0.985 1.00 0.00 C ATOM 498 O HIS A 33 5.804 5.428 -0.816 1.00 0.00 O ATOM 499 CB HIS A 33 5.002 7.494 1.240 1.00 0.00 C ATOM 500 CG HIS A 33 4.853 8.983 1.319 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.824 9.809 1.848 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.842 9.794 0.930 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.414 11.063 1.782 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.214 11.081 1.229 1.00 0.00 N ATOM 0 H HIS A 33 3.409 5.700 1.744 1.00 0.00 H new ATOM 0 HA HIS A 33 3.439 7.596 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.748 7.060 2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.047 7.251 1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.915 9.486 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.966 11.927 2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.655 11.916 1.053 1.00 0.00 H new ATOM 513 N GLY A 34 4.880 6.958 -2.188 1.00 0.00 N ATOM 514 CA GLY A 34 5.626 6.546 -3.299 1.00 0.00 C ATOM 515 C GLY A 34 5.236 5.236 -3.891 1.00 0.00 C ATOM 516 O GLY A 34 5.925 4.567 -4.599 1.00 0.00 O ATOM 0 H GLY A 34 4.249 7.738 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.545 7.311 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.676 6.495 -3.010 1.00 0.00 H new ATOM 520 N LEU A 35 4.008 4.760 -3.429 1.00 0.00 N ATOM 521 CA LEU A 35 3.437 3.505 -3.921 1.00 0.00 C ATOM 522 C LEU A 35 3.329 3.472 -5.446 1.00 0.00 C ATOM 523 O LEU A 35 3.704 2.539 -6.089 1.00 0.00 O ATOM 524 CB LEU A 35 2.169 3.207 -3.275 1.00 0.00 C ATOM 525 CG LEU A 35 1.545 1.823 -3.550 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.529 0.783 -3.177 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.298 1.546 -2.774 1.00 0.00 C ATOM 0 H LEU A 35 3.436 5.240 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 35 4.132 2.711 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.307 3.307 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.449 3.968 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 35 1.283 1.813 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.105 -0.203 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.434 0.908 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.774 0.877 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.075 0.553 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.516 1.591 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.458 2.291 -3.022 1.00 0.00 H new ATOM 539 N PHE A 36 2.714 4.489 -5.962 1.00 0.00 N ATOM 540 CA PHE A 36 2.511 4.621 -7.428 1.00 0.00 C ATOM 541 C PHE A 36 3.395 5.792 -7.999 1.00 0.00 C ATOM 542 O PHE A 36 3.159 6.243 -9.129 1.00 0.00 O ATOM 543 CB PHE A 36 0.983 4.936 -7.732 1.00 0.00 C ATOM 544 CG PHE A 36 0.148 4.428 -6.691 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.447 3.210 -6.771 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.226 5.197 -5.546 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.316 2.750 -5.860 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.051 4.708 -4.554 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.611 3.457 -4.747 1.00 0.00 C ATOM 0 H PHE A 36 2.331 5.259 -5.414 1.00 0.00 H new ATOM 0 HA PHE A 36 2.800 3.684 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.840 6.012 -7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.697 4.491 -8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.207 2.578 -7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.153 6.204 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.791 1.793 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.252 5.280 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.283 3.046 -4.008 1.00 0.00 H new ATOM 559 N GLY A 37 4.381 6.234 -7.250 1.00 0.00 N ATOM 560 CA GLY A 37 5.292 7.228 -7.694 1.00 0.00 C ATOM 561 C GLY A 37 6.734 6.752 -7.595 1.00 0.00 C ATOM 562 O GLY A 37 7.556 7.120 -8.488 1.00 0.00 O ATOM 0 H GLY A 37 4.562 5.899 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.066 7.494 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.165 8.131 -7.097 1.00 0.00 H new ATOM 566 N ARG A 38 7.112 6.058 -6.575 1.00 0.00 N ATOM 567 CA ARG A 38 8.476 5.574 -6.395 1.00 0.00 C ATOM 568 C ARG A 38 8.658 4.216 -7.066 1.00 0.00 C ATOM 569 O ARG A 38 7.684 3.582 -7.474 1.00 0.00 O ATOM 570 CB ARG A 38 8.814 5.476 -4.908 1.00 0.00 C ATOM 571 CG ARG A 38 8.893 6.825 -4.213 1.00 0.00 C ATOM 572 CD ARG A 38 9.584 6.715 -2.863 1.00 0.00 C ATOM 573 NE ARG A 38 10.702 7.647 -2.743 1.00 0.00 N ATOM 574 CZ ARG A 38 10.610 8.947 -3.004 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.455 9.464 -3.399 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.672 9.729 -2.871 1.00 0.00 N ATOM 0 H ARG A 38 6.483 5.796 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 38 9.156 6.286 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.060 4.864 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.768 4.961 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.435 7.530 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.888 7.225 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.863 6.910 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.945 5.696 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 38 11.605 7.279 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.637 8.864 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.385 10.462 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.562 9.333 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.599 10.726 -3.072 1.00 0.00 H new ATOM 590 N LYS A 39 9.905 3.768 -7.171 1.00 0.00 N ATOM 591 CA LYS A 39 10.153 2.512 -7.768 1.00 0.00 C ATOM 592 C LYS A 39 9.431 1.375 -7.197 1.00 0.00 C ATOM 593 O LYS A 39 8.280 1.115 -7.549 1.00 0.00 O ATOM 594 CB LYS A 39 11.682 2.205 -7.720 1.00 0.00 C ATOM 595 CG LYS A 39 12.095 0.918 -8.494 1.00 0.00 C ATOM 596 CD LYS A 39 10.995 0.432 -9.427 1.00 0.00 C ATOM 597 CE LYS A 39 10.700 1.463 -10.554 1.00 0.00 C ATOM 598 NZ LYS A 39 9.389 1.278 -11.125 1.00 0.00 N ATOM 0 H LYS A 39 10.733 4.267 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 39 9.778 2.614 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.226 3.055 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.989 2.105 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.998 1.117 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.340 0.130 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.288 -0.519 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.086 0.249 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.781 2.473 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.453 1.370 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.920 2.201 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.478 0.832 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.822 0.667 -10.502 1.00 0.00 H new ATOM 612 N THR A 40 10.082 0.502 -6.456 1.00 0.00 N ATOM 613 CA THR A 40 9.354 -0.411 -5.558 1.00 0.00 C ATOM 614 C THR A 40 10.057 -0.533 -4.119 1.00 0.00 C ATOM 615 O THR A 40 11.005 -1.129 -3.869 1.00 0.00 O ATOM 616 CB THR A 40 9.176 -1.821 -5.957 1.00 0.00 C ATOM 617 OG1 THR A 40 10.379 -2.521 -6.175 1.00 0.00 O ATOM 618 CG2 THR A 40 8.092 -2.171 -6.808 1.00 0.00 C ATOM 0 H THR A 40 11.096 0.395 -6.447 1.00 0.00 H new ATOM 0 HA THR A 40 8.382 0.082 -5.577 1.00 0.00 H new ATOM 0 HB THR A 40 8.769 -2.228 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.010 -2.320 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.112 -3.244 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.151 -1.905 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.181 -1.632 -7.751 1.00 0.00 H new ATOM 626 N GLY A 41 9.144 -0.049 -3.170 1.00 0.00 N ATOM 627 CA GLY A 41 9.508 -0.146 -1.766 1.00 0.00 C ATOM 628 C GLY A 41 10.903 0.374 -1.474 1.00 0.00 C ATOM 629 O GLY A 41 11.615 -0.182 -0.637 1.00 0.00 O ATOM 0 H GLY A 41 8.237 0.370 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.786 0.413 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.442 -1.187 -1.451 1.00 0.00 H new ATOM 633 N GLN A 42 11.332 1.446 -2.186 1.00 0.00 N ATOM 634 CA GLN A 42 12.659 2.061 -1.974 1.00 0.00 C ATOM 635 C GLN A 42 12.482 3.213 -1.057 1.00 0.00 C ATOM 636 O GLN A 42 13.118 4.299 -1.370 1.00 0.00 O ATOM 637 CB GLN A 42 13.254 2.377 -3.289 1.00 0.00 C ATOM 638 CG GLN A 42 12.199 2.428 -4.456 1.00 0.00 C ATOM 639 CD GLN A 42 11.128 3.363 -4.110 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.310 4.536 -3.755 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.882 2.892 -4.385 1.00 0.00 N ATOM 0 H GLN A 42 10.776 1.900 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 42 13.373 1.393 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.764 3.339 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.011 1.630 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.682 2.739 -5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.786 1.434 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.756 1.922 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.074 3.508 -4.301 1.00 0.00 H new ATOM 650 N ALA A 43 11.806 3.169 0.005 1.00 0.00 N ATOM 651 CA ALA A 43 11.599 4.294 0.929 1.00 0.00 C ATOM 652 C ALA A 43 12.923 4.815 1.474 1.00 0.00 C ATOM 653 O ALA A 43 13.992 4.219 1.024 1.00 0.00 O ATOM 654 CB ALA A 43 10.770 3.806 2.136 1.00 0.00 C ATOM 0 H ALA A 43 11.336 2.317 0.312 1.00 0.00 H new ATOM 0 HA ALA A 43 11.092 5.087 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.611 4.634 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.806 3.433 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.306 3.006 2.646 1.00 0.00 H new ATOM 660 N PRO A 44 12.913 5.860 2.269 1.00 0.00 N ATOM 661 CA PRO A 44 14.193 6.471 2.821 1.00 0.00 C ATOM 662 C PRO A 44 14.737 5.670 3.970 1.00 0.00 C ATOM 663 O PRO A 44 15.384 4.657 3.819 1.00 0.00 O ATOM 664 CB PRO A 44 13.678 7.844 3.189 1.00 0.00 C ATOM 665 CG PRO A 44 12.334 7.673 3.568 1.00 0.00 C ATOM 666 CD PRO A 44 11.717 6.628 2.688 1.00 0.00 C ATOM 0 HA PRO A 44 15.049 6.499 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.261 8.272 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.760 8.529 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.271 7.372 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.792 8.614 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.999 6.009 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.190 7.064 1.839 1.00 0.00 H new ATOM 674 N GLY A 45 14.503 6.203 5.192 1.00 0.00 N ATOM 675 CA GLY A 45 14.990 5.581 6.390 1.00 0.00 C ATOM 676 C GLY A 45 14.202 4.361 6.703 1.00 0.00 C ATOM 677 O GLY A 45 14.456 3.695 7.728 1.00 0.00 O ATOM 0 H GLY A 45 13.977 7.063 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.041 5.320 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.929 6.283 7.221 1.00 0.00 H new ATOM 681 N PHE A 46 13.354 3.933 5.790 1.00 0.00 N ATOM 682 CA PHE A 46 12.548 2.732 5.979 1.00 0.00 C ATOM 683 C PHE A 46 13.326 1.485 5.575 1.00 0.00 C ATOM 684 O PHE A 46 13.973 1.458 4.527 1.00 0.00 O ATOM 685 CB PHE A 46 11.256 2.824 5.168 1.00 0.00 C ATOM 686 CG PHE A 46 10.365 1.624 5.327 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.618 1.449 6.478 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.281 0.672 4.325 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.799 0.347 6.629 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.464 -0.433 4.469 1.00 0.00 C ATOM 691 CZ PHE A 46 8.722 -0.597 5.623 1.00 0.00 C ATOM 0 H PHE A 46 13.200 4.402 4.897 1.00 0.00 H new ATOM 0 HA PHE A 46 12.299 2.657 7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.708 3.717 5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.505 2.945 4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.676 2.183 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.860 0.794 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.220 0.223 7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.405 -1.168 3.680 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.084 -1.461 5.738 1.00 0.00 H new ATOM 701 N THR A 47 13.250 0.423 6.426 1.00 0.00 N ATOM 702 CA THR A 47 13.898 -0.843 6.131 1.00 0.00 C ATOM 703 C THR A 47 13.121 -1.651 5.062 1.00 0.00 C ATOM 704 O THR A 47 12.192 -2.284 5.432 1.00 0.00 O ATOM 705 CB THR A 47 14.176 -1.600 7.412 1.00 0.00 C ATOM 706 OG1 THR A 47 15.482 -1.969 7.516 1.00 0.00 O ATOM 707 CG2 THR A 47 13.253 -2.762 7.530 1.00 0.00 C ATOM 0 H THR A 47 12.744 0.440 7.312 1.00 0.00 H new ATOM 0 HA THR A 47 14.869 -0.652 5.674 1.00 0.00 H new ATOM 0 HB THR A 47 13.987 -0.930 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.619 -2.453 8.357 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.461 -3.300 8.455 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.222 -2.408 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.399 -3.430 6.681 1.00 0.00 H new ATOM 715 N TYR A 48 13.617 -1.588 3.831 1.00 0.00 N ATOM 716 CA TYR A 48 12.951 -2.355 2.813 1.00 0.00 C ATOM 717 C TYR A 48 13.232 -3.849 2.920 1.00 0.00 C ATOM 718 O TYR A 48 14.215 -4.271 3.529 1.00 0.00 O ATOM 719 CB TYR A 48 13.413 -1.852 1.444 1.00 0.00 C ATOM 720 CG TYR A 48 14.466 -0.769 1.515 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.696 -1.063 2.009 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.128 0.544 1.131 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.716 -0.065 2.031 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.089 1.536 1.196 1.00 0.00 C ATOM 725 CZ TYR A 48 16.375 1.227 1.645 1.00 0.00 C ATOM 726 OH TYR A 48 17.364 2.205 1.711 1.00 0.00 O ATOM 0 H TYR A 48 14.429 -1.046 3.535 1.00 0.00 H new ATOM 0 HA TYR A 48 11.877 -2.221 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.807 -2.692 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.550 -1.472 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.903 -2.054 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.129 0.773 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.723 -0.306 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.846 2.546 0.901 1.00 0.00 H new ATOM 0 HH TYR A 48 16.996 3.063 1.413 1.00 0.00 H new ATOM 736 N THR A 49 12.324 -4.587 2.321 1.00 0.00 N ATOM 737 CA THR A 49 12.497 -6.099 2.316 1.00 0.00 C ATOM 738 C THR A 49 13.570 -6.430 1.212 1.00 0.00 C ATOM 739 O THR A 49 13.942 -5.649 0.477 1.00 0.00 O ATOM 740 CB THR A 49 11.169 -6.751 1.988 1.00 0.00 C ATOM 741 OG1 THR A 49 10.753 -6.540 0.662 1.00 0.00 O ATOM 742 CG2 THR A 49 9.996 -6.282 2.882 1.00 0.00 C ATOM 0 H THR A 49 11.493 -4.234 1.847 1.00 0.00 H new ATOM 0 HA THR A 49 12.824 -6.474 3.286 1.00 0.00 H new ATOM 0 HB THR A 49 11.381 -7.805 2.166 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.893 -6.986 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.082 -6.796 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.218 -6.513 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.861 -5.206 2.770 1.00 0.00 H new ATOM 750 N ASP A 50 13.910 -7.758 1.217 1.00 0.00 N ATOM 751 CA ASP A 50 14.881 -8.225 0.240 1.00 0.00 C ATOM 752 C ASP A 50 14.423 -7.869 -1.170 1.00 0.00 C ATOM 753 O ASP A 50 15.234 -7.535 -2.033 1.00 0.00 O ATOM 754 CB ASP A 50 15.080 -9.737 0.363 1.00 0.00 C ATOM 755 CG ASP A 50 15.504 -10.373 -0.945 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.676 -10.791 -1.050 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.663 -10.453 -1.867 1.00 0.00 O ATOM 0 H ASP A 50 13.540 -8.464 1.853 1.00 0.00 H new ATOM 0 HA ASP A 50 15.833 -7.732 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.834 -9.941 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.152 -10.196 0.703 1.00 0.00 H new ATOM 762 N ALA A 51 13.136 -7.961 -1.404 1.00 0.00 N ATOM 763 CA ALA A 51 12.549 -7.564 -2.654 1.00 0.00 C ATOM 764 C ALA A 51 12.580 -6.140 -2.946 1.00 0.00 C ATOM 765 O ALA A 51 13.026 -5.658 -4.090 1.00 0.00 O ATOM 766 CB ALA A 51 11.048 -8.032 -2.758 1.00 0.00 C ATOM 0 H ALA A 51 12.464 -8.317 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 51 13.185 -8.058 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.634 -7.716 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.000 -9.118 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.471 -7.586 -1.948 1.00 0.00 H new ATOM 772 N ASN A 52 12.359 -5.259 -1.954 1.00 0.00 N ATOM 773 CA ASN A 52 12.323 -3.823 -2.153 1.00 0.00 C ATOM 774 C ASN A 52 13.754 -3.395 -2.377 1.00 0.00 C ATOM 775 O ASN A 52 13.928 -2.528 -3.247 1.00 0.00 O ATOM 776 CB ASN A 52 11.773 -3.151 -0.856 1.00 0.00 C ATOM 777 CG ASN A 52 10.318 -3.453 -0.611 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.700 -4.035 -1.542 1.00 0.00 O flip ATOM 779 ND2 ASN A 52 9.845 -3.224 0.527 1.00 0.00 N flip ATOM 0 H ASN A 52 12.200 -5.540 -0.986 1.00 0.00 H new ATOM 0 HA ASN A 52 11.688 -3.540 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.358 -3.490 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.908 -2.072 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.411 -2.746 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.894 -3.516 0.752 1.00 0.00 H new ATOM 786 N LYS A 53 14.699 -3.926 -1.673 1.00 0.00 N ATOM 787 CA LYS A 53 16.155 -3.542 -1.844 1.00 0.00 C ATOM 788 C LYS A 53 16.523 -3.848 -3.272 1.00 0.00 C ATOM 789 O LYS A 53 17.435 -3.205 -3.910 1.00 0.00 O ATOM 790 CB LYS A 53 17.040 -4.310 -0.879 1.00 0.00 C ATOM 791 CG LYS A 53 16.726 -5.836 -0.859 1.00 0.00 C ATOM 792 CD LYS A 53 17.769 -6.575 0.016 1.00 0.00 C ATOM 793 CE LYS A 53 17.406 -6.600 1.473 1.00 0.00 C ATOM 794 NZ LYS A 53 17.168 -7.951 2.013 1.00 0.00 N ATOM 0 H LYS A 53 14.538 -4.635 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 53 16.302 -2.484 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.084 -4.162 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.914 -3.904 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.723 -6.005 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.742 -6.233 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.875 -7.599 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.740 -6.093 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.206 -6.129 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.510 -5.998 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.196 -8.013 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.301 -8.655 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.839 -8.140 2.785 1.00 0.00 H new ATOM 808 N ASN A 54 15.905 -4.950 -3.881 1.00 0.00 N ATOM 809 CA ASN A 54 16.206 -5.358 -5.247 1.00 0.00 C ATOM 810 C ASN A 54 15.618 -4.362 -6.236 1.00 0.00 C ATOM 811 O ASN A 54 15.928 -4.356 -7.411 1.00 0.00 O ATOM 812 CB ASN A 54 15.741 -6.730 -5.437 1.00 0.00 C ATOM 813 CG ASN A 54 16.357 -7.792 -4.553 1.00 0.00 C ATOM 814 OD1 ASN A 54 17.181 -7.253 -3.656 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 16.117 -8.972 -4.699 1.00 0.00 N flip ATOM 0 H ASN A 54 15.211 -5.535 -3.416 1.00 0.00 H new ATOM 0 HA ASN A 54 17.280 -5.353 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.662 -6.746 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.920 -7.008 -6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.465 -9.274 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.567 -9.662 -4.098 1.00 0.00 H new ATOM 822 N LYS A 55 14.607 -3.570 -5.744 1.00 0.00 N ATOM 823 CA LYS A 55 13.905 -2.607 -6.613 1.00 0.00 C ATOM 824 C LYS A 55 12.963 -3.303 -7.530 1.00 0.00 C ATOM 825 O LYS A 55 13.128 -3.294 -8.725 1.00 0.00 O ATOM 826 CB LYS A 55 14.919 -1.785 -7.325 1.00 0.00 C ATOM 827 CG LYS A 55 15.649 -0.720 -6.559 1.00 0.00 C ATOM 828 CD LYS A 55 17.145 -0.727 -6.838 1.00 0.00 C ATOM 829 CE LYS A 55 17.697 -2.119 -6.947 1.00 0.00 C ATOM 830 NZ LYS A 55 19.222 -2.072 -6.716 1.00 0.00 N ATOM 0 H LYS A 55 14.280 -3.590 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 55 13.286 -1.937 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.664 -2.464 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.423 -1.305 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.238 0.256 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.481 -0.864 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.342 -0.187 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.664 -0.194 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.224 -2.770 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.477 -2.536 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.614 -3.032 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.663 -1.462 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.418 -1.690 -5.769 1.00 0.00 H new ATOM 844 N GLY A 56 11.996 -4.007 -6.972 1.00 0.00 N ATOM 845 CA GLY A 56 10.973 -4.678 -7.815 1.00 0.00 C ATOM 846 C GLY A 56 10.353 -3.758 -8.742 1.00 0.00 C ATOM 847 O GLY A 56 10.955 -3.439 -9.794 1.00 0.00 O ATOM 0 H GLY A 56 11.881 -4.139 -5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.437 -5.494 -8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.209 -5.120 -7.176 1.00 0.00 H new ATOM 851 N ILE A 57 9.119 -3.455 -8.535 1.00 0.00 N ATOM 852 CA ILE A 57 8.428 -2.528 -9.515 1.00 0.00 C ATOM 853 C ILE A 57 7.352 -1.614 -8.903 1.00 0.00 C ATOM 854 O ILE A 57 6.991 -1.890 -7.692 1.00 0.00 O ATOM 855 CB ILE A 57 7.669 -3.255 -10.515 1.00 0.00 C ATOM 856 CG1 ILE A 57 8.071 -2.670 -11.898 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.122 -3.234 -10.347 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.362 -1.226 -11.797 1.00 0.00 C ATOM 0 H ILE A 57 8.549 -3.787 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 57 9.271 -1.958 -9.905 1.00 0.00 H new ATOM 0 HB ILE A 57 7.920 -4.310 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.947 -3.195 -12.278 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.265 -2.833 -12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.661 -3.809 -11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.854 -3.674 -9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.766 -2.205 -10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.641 -0.841 -12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.476 -0.701 -11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.184 -1.068 -11.099 1.00 0.00 H new ATOM 870 N THR A 58 6.854 -0.586 -9.432 1.00 0.00 N ATOM 871 CA THR A 58 5.986 0.325 -8.865 1.00 0.00 C ATOM 872 C THR A 58 4.559 -0.229 -8.840 1.00 0.00 C ATOM 873 O THR A 58 3.975 -0.517 -9.877 1.00 0.00 O ATOM 874 CB THR A 58 5.963 1.657 -9.683 1.00 0.00 C ATOM 875 OG1 THR A 58 6.165 2.728 -8.872 1.00 0.00 O ATOM 876 CG2 THR A 58 4.628 1.915 -10.458 1.00 0.00 C ATOM 0 H THR A 58 7.077 -0.337 -10.396 1.00 0.00 H new ATOM 0 HA THR A 58 6.337 0.513 -7.850 1.00 0.00 H new ATOM 0 HB THR A 58 6.766 1.539 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.890 2.530 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.697 2.859 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.456 1.104 -11.166 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.800 1.962 -9.751 1.00 0.00 H new ATOM 884 N TRP A 59 4.007 -0.440 -7.643 1.00 0.00 N ATOM 885 CA TRP A 59 2.675 -1.010 -7.480 1.00 0.00 C ATOM 886 C TRP A 59 1.654 -0.026 -7.950 1.00 0.00 C ATOM 887 O TRP A 59 1.401 1.061 -7.314 1.00 0.00 O ATOM 888 CB TRP A 59 2.507 -1.307 -5.950 1.00 0.00 C ATOM 889 CG TRP A 59 3.780 -1.515 -5.176 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.647 -0.522 -4.721 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.462 -2.718 -4.879 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.674 -1.049 -4.115 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.646 -2.421 -4.154 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.175 -4.065 -5.033 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.542 -3.448 -3.708 1.00 0.00 C ATOM 896 CZ3 TRP A 59 5.013 -5.040 -4.607 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.164 -4.678 -3.954 1.00 0.00 C ATOM 0 H TRP A 59 4.473 -0.220 -6.763 1.00 0.00 H new ATOM 0 HA TRP A 59 2.545 -1.922 -8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.961 -0.480 -5.497 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.888 -2.197 -5.839 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.489 0.538 -4.853 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.411 -0.506 -3.665 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.249 -4.348 -5.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.469 -3.222 -3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.780 -6.081 -4.778 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.812 -5.473 -3.615 1.00 0.00 H new ATOM 908 N LYS A 60 0.959 -0.385 -9.030 1.00 0.00 N ATOM 909 CA LYS A 60 -0.051 0.405 -9.622 1.00 0.00 C ATOM 910 C LYS A 60 -1.415 -0.134 -9.267 1.00 0.00 C ATOM 911 O LYS A 60 -1.510 -1.274 -8.703 1.00 0.00 O ATOM 912 CB LYS A 60 0.141 0.547 -11.098 1.00 0.00 C ATOM 913 CG LYS A 60 -1.035 0.109 -11.925 1.00 0.00 C ATOM 914 CD LYS A 60 -1.903 1.315 -12.333 1.00 0.00 C ATOM 915 CE LYS A 60 -2.327 1.211 -13.751 1.00 0.00 C ATOM 916 NZ LYS A 60 -1.858 2.356 -14.594 1.00 0.00 N ATOM 0 H LYS A 60 1.111 -1.271 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 60 0.023 1.413 -9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.360 1.591 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.014 -0.033 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.684 -0.409 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.637 -0.602 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.782 1.369 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.342 2.238 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.945 0.280 -14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.415 1.158 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.186 2.224 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.243 3.245 -14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.819 2.395 -14.580 1.00 0.00 H new ATOM 930 N GLU A 61 -2.465 0.610 -9.578 1.00 0.00 N ATOM 931 CA GLU A 61 -3.856 0.175 -9.370 1.00 0.00 C ATOM 932 C GLU A 61 -4.149 -1.163 -10.107 1.00 0.00 C ATOM 933 O GLU A 61 -4.518 -2.107 -9.523 1.00 0.00 O ATOM 934 CB GLU A 61 -4.832 1.221 -9.747 1.00 0.00 C ATOM 935 CG GLU A 61 -5.841 1.550 -8.650 1.00 0.00 C ATOM 936 CD GLU A 61 -7.305 1.274 -9.112 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.181 2.020 -8.713 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.509 0.238 -9.880 1.00 0.00 O ATOM 0 H GLU A 61 -2.385 1.542 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.975 0.000 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.291 2.129 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.371 0.897 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.621 0.956 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.740 2.597 -8.365 1.00 0.00 H new ATOM 945 N GLU A 62 -3.953 -1.038 -11.426 1.00 0.00 N ATOM 946 CA GLU A 62 -4.226 -2.198 -12.271 1.00 0.00 C ATOM 947 C GLU A 62 -3.349 -3.394 -11.965 1.00 0.00 C ATOM 948 O GLU A 62 -3.725 -4.524 -11.832 1.00 0.00 O ATOM 949 CB GLU A 62 -4.156 -1.916 -13.713 1.00 0.00 C ATOM 950 CG GLU A 62 -2.738 -2.058 -14.294 1.00 0.00 C ATOM 951 CD GLU A 62 -2.591 -1.542 -15.709 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.609 -1.353 -16.432 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.440 -1.232 -16.113 1.00 0.00 O ATOM 0 H GLU A 62 -3.627 -0.199 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.257 -2.446 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.827 -2.593 -14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.516 -0.904 -13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.039 -1.524 -13.650 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.452 -3.110 -14.272 1.00 0.00 H new ATOM 960 N THR A 63 -2.023 -3.111 -11.754 1.00 0.00 N ATOM 961 CA THR A 63 -1.043 -4.097 -11.457 1.00 0.00 C ATOM 962 C THR A 63 -1.332 -4.720 -10.099 1.00 0.00 C ATOM 963 O THR A 63 -1.009 -5.947 -9.854 1.00 0.00 O ATOM 964 CB THR A 63 0.362 -3.474 -11.398 1.00 0.00 C ATOM 965 OG1 THR A 63 1.223 -4.209 -12.359 1.00 0.00 O ATOM 966 CG2 THR A 63 0.971 -3.564 -10.090 1.00 0.00 C ATOM 0 H THR A 63 -1.646 -2.164 -11.796 1.00 0.00 H new ATOM 0 HA THR A 63 -1.080 -4.849 -12.245 1.00 0.00 H new ATOM 0 HB THR A 63 0.266 -2.415 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.127 -3.831 -12.344 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.960 -3.106 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.349 -3.042 -9.362 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.064 -4.611 -9.803 1.00 0.00 H new ATOM 974 N LEU A 64 -1.965 -4.014 -9.212 1.00 0.00 N ATOM 975 CA LEU A 64 -2.368 -4.462 -7.908 1.00 0.00 C ATOM 976 C LEU A 64 -3.492 -5.495 -7.985 1.00 0.00 C ATOM 977 O LEU A 64 -3.531 -6.448 -7.216 1.00 0.00 O ATOM 978 CB LEU A 64 -2.739 -3.324 -6.948 1.00 0.00 C ATOM 979 CG LEU A 64 -1.638 -2.923 -5.934 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.150 -1.780 -5.112 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.334 -4.172 -5.043 1.00 0.00 C ATOM 0 H LEU A 64 -2.232 -3.046 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.484 -4.941 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.003 -2.446 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.631 -3.616 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.720 -2.608 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.390 -1.481 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.382 -0.938 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.052 -2.088 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.561 -3.921 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.240 -4.474 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.989 -4.992 -5.672 1.00 0.00 H new ATOM 993 N MET A 65 -4.349 -5.268 -8.875 1.00 0.00 N ATOM 994 CA MET A 65 -5.538 -6.112 -9.063 1.00 0.00 C ATOM 995 C MET A 65 -5.018 -7.529 -9.523 1.00 0.00 C ATOM 996 O MET A 65 -5.579 -8.505 -8.937 1.00 0.00 O ATOM 997 CB MET A 65 -6.417 -5.580 -10.179 1.00 0.00 C ATOM 998 CG MET A 65 -7.206 -4.358 -9.792 1.00 0.00 C ATOM 999 SD MET A 65 -8.084 -4.503 -8.289 1.00 0.00 S ATOM 1000 CE MET A 65 -6.811 -4.023 -7.117 1.00 0.00 C ATOM 0 H MET A 65 -4.287 -4.488 -9.530 1.00 0.00 H new ATOM 0 HA MET A 65 -6.113 -6.140 -8.137 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.793 -5.342 -11.040 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.107 -6.364 -10.492 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.525 -3.510 -9.719 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.913 -4.131 -10.590 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.241 -3.960 -6.118 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.013 -4.765 -7.122 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.405 -3.051 -7.399 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.073 -7.634 -10.338 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.522 -8.923 -10.742 1.00 0.00 C ATOM 1012 C GLU A 66 -2.601 -9.468 -9.657 1.00 0.00 C ATOM 1013 O GLU A 66 -2.561 -10.673 -9.404 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.759 -8.788 -12.060 1.00 0.00 C ATOM 1015 CG GLU A 66 -1.907 -7.532 -12.143 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.077 -7.474 -13.412 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.322 -8.435 -13.672 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.183 -6.469 -14.144 1.00 0.00 O ATOM 0 H GLU A 66 -3.619 -6.834 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.347 -9.621 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.119 -9.661 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.472 -8.789 -12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.553 -6.655 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.245 -7.488 -11.278 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.860 -8.567 -9.017 1.00 0.00 N ATOM 1026 CA TYR A 67 -0.937 -8.946 -7.953 1.00 0.00 C ATOM 1027 C TYR A 67 -1.686 -9.578 -6.787 1.00 0.00 C ATOM 1028 O TYR A 67 -1.110 -10.334 -6.002 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.162 -7.718 -7.471 1.00 0.00 C ATOM 1030 CG TYR A 67 0.194 -7.767 -6.002 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.427 -8.247 -5.581 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.706 -7.330 -5.037 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.756 -8.290 -4.239 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.384 -7.371 -3.693 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.846 -7.852 -3.300 1.00 0.00 C ATOM 1036 OH TYR A 67 1.171 -7.893 -1.963 1.00 0.00 O ATOM 0 H TYR A 67 -1.882 -7.567 -9.218 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.236 -9.680 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.753 -7.624 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.756 -6.825 -7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.141 -8.592 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.671 -6.953 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.720 -8.664 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.093 -7.028 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 67 0.422 -7.548 -1.434 1.00 0.00 H new ATOM 1046 N LEU A 68 -2.969 -9.250 -6.704 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.794 -9.852 -5.574 1.00 0.00 C ATOM 1048 C LEU A 68 -3.833 -11.294 -5.650 1.00 0.00 C ATOM 1049 O LEU A 68 -4.261 -12.016 -4.746 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.163 -9.227 -5.623 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.360 -7.778 -5.067 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.688 -7.240 -5.392 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.037 -7.832 -3.544 1.00 0.00 C ATOM 0 H LEU A 68 -3.465 -8.622 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.334 -9.633 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.486 -9.226 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.843 -9.883 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.681 -7.071 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.781 -6.232 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.813 -7.209 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.456 -7.879 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.161 -6.840 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.715 -8.530 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.009 -8.164 -3.402 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.501 -11.871 -6.794 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.587 -13.334 -7.057 1.00 0.00 C ATOM 1067 C GLU A 69 -2.658 -14.040 -6.096 1.00 0.00 C ATOM 1068 O GLU A 69 -3.075 -14.585 -5.106 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.178 -13.631 -8.499 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.057 -14.685 -9.116 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.643 -14.972 -10.553 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.629 -14.455 -11.073 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.394 -15.614 -11.292 1.00 0.00 O ATOM 0 H GLU A 69 -3.155 -11.341 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.610 -13.683 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.235 -12.717 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.140 -13.962 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.999 -15.601 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.096 -14.356 -9.092 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.330 -14.008 -6.385 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.340 -14.653 -5.533 1.00 0.00 C ATOM 1082 C ASN A 70 0.652 -13.634 -4.983 1.00 0.00 C ATOM 1083 O ASN A 70 1.667 -13.337 -5.613 1.00 0.00 O ATOM 1084 CB ASN A 70 0.405 -15.739 -6.312 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.351 -17.054 -6.339 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.344 -17.806 -5.365 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.009 -17.334 -7.459 1.00 0.00 N ATOM 0 H ASN A 70 -0.938 -13.540 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.864 -15.112 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.573 -15.399 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.386 -15.896 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.537 -18.203 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.986 -16.680 -8.241 1.00 0.00 H new ATOM 1094 N PRO A 71 0.396 -13.086 -3.757 1.00 0.00 N ATOM 1095 CA PRO A 71 1.175 -12.121 -3.138 1.00 0.00 C ATOM 1096 C PRO A 71 2.706 -12.598 -3.062 1.00 0.00 C ATOM 1097 O PRO A 71 3.619 -11.688 -3.132 1.00 0.00 O ATOM 1098 CB PRO A 71 0.645 -11.939 -1.791 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.840 -12.339 -1.964 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.830 -13.417 -2.997 1.00 0.00 C ATOM 0 HA PRO A 71 1.145 -11.188 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.155 -12.572 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.752 -10.910 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.265 -12.695 -1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.443 -11.490 -2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.781 -14.411 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.721 -13.392 -3.625 1.00 0.00 H new ATOM 1108 N LYS A 72 2.851 -13.896 -2.931 1.00 0.00 N ATOM 1109 CA LYS A 72 4.169 -14.421 -2.864 1.00 0.00 C ATOM 1110 C LYS A 72 4.797 -14.539 -4.306 1.00 0.00 C ATOM 1111 O LYS A 72 6.021 -14.561 -4.403 1.00 0.00 O ATOM 1112 CB LYS A 72 4.163 -15.834 -2.210 1.00 0.00 C ATOM 1113 CG LYS A 72 4.620 -16.881 -3.100 1.00 0.00 C ATOM 1114 CD LYS A 72 6.161 -17.149 -3.001 1.00 0.00 C ATOM 1115 CE LYS A 72 6.826 -16.870 -4.337 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.620 -18.042 -4.852 1.00 0.00 N ATOM 0 H LYS A 72 2.094 -14.577 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 72 4.765 -13.737 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.797 -15.819 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.152 -16.067 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.083 -17.802 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.370 -16.611 -4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.599 -16.517 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.340 -18.183 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.063 -16.605 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.485 -16.007 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.051 -17.795 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.368 -18.281 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.990 -18.860 -4.977 1.00 0.00 H new ATOM 1130 N LYS A 73 3.960 -14.547 -5.250 1.00 0.00 N ATOM 1131 CA LYS A 73 4.501 -14.728 -6.685 1.00 0.00 C ATOM 1132 C LYS A 73 5.145 -13.373 -7.065 1.00 0.00 C ATOM 1133 O LYS A 73 6.038 -13.388 -7.882 1.00 0.00 O ATOM 1134 CB LYS A 73 3.264 -15.028 -7.609 1.00 0.00 C ATOM 1135 CG LYS A 73 2.511 -13.777 -8.059 1.00 0.00 C ATOM 1136 CD LYS A 73 3.078 -13.434 -9.409 1.00 0.00 C ATOM 1137 CE LYS A 73 3.266 -14.534 -10.355 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.136 -15.456 -10.363 1.00 0.00 N ATOM 0 H LYS A 73 2.949 -14.444 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 73 5.227 -15.536 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.604 -15.572 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.575 -15.683 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.439 -13.964 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.653 -12.958 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.422 -12.698 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.043 -12.951 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.408 -14.129 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.175 -15.079 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.902 -15.710 -11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.385 -16.315 -9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.314 -15.001 -9.917 1.00 0.00 H new ATOM 1152 N TYR A 74 4.620 -12.319 -6.546 1.00 0.00 N ATOM 1153 CA TYR A 74 5.262 -10.977 -6.886 1.00 0.00 C ATOM 1154 C TYR A 74 6.487 -10.719 -6.093 1.00 0.00 C ATOM 1155 O TYR A 74 7.447 -10.242 -6.708 1.00 0.00 O ATOM 1156 CB TYR A 74 4.176 -9.868 -6.654 1.00 0.00 C ATOM 1157 CG TYR A 74 3.371 -9.492 -7.869 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.380 -10.335 -8.356 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.589 -8.309 -8.451 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.619 -10.053 -9.408 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.824 -7.917 -9.568 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.838 -8.811 -10.062 1.00 0.00 C ATOM 1163 OH TYR A 74 1.127 -8.471 -11.168 1.00 0.00 O ATOM 0 H TYR A 74 3.811 -12.292 -5.925 1.00 0.00 H new ATOM 0 HA TYR A 74 5.590 -10.979 -7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.492 -10.209 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.669 -8.973 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.219 -11.275 -7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.354 -7.651 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.862 -10.742 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.984 -6.958 -10.038 1.00 0.00 H new ATOM 0 HH TYR A 74 1.410 -7.586 -11.480 1.00 0.00 H new ATOM 1173 N ILE A 75 6.433 -11.010 -4.819 1.00 0.00 N ATOM 1174 CA ILE A 75 7.667 -10.841 -3.972 1.00 0.00 C ATOM 1175 C ILE A 75 7.951 -12.020 -3.141 1.00 0.00 C ATOM 1176 O ILE A 75 7.535 -11.992 -1.941 1.00 0.00 O ATOM 1177 CB ILE A 75 7.394 -9.609 -3.041 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.517 -8.293 -3.862 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.501 -9.581 -2.002 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.527 -8.290 -4.936 1.00 0.00 C ATOM 0 H ILE A 75 5.606 -11.352 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 75 8.534 -10.702 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 75 6.401 -9.688 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.545 -8.073 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.746 -7.479 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.349 -8.736 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.485 -10.507 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.465 -9.480 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.522 -7.322 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.513 -8.472 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.294 -9.074 -5.657 1.00 0.00 H new ATOM 1192 N PRO A 76 8.542 -13.065 -3.685 1.00 0.00 N ATOM 1193 CA PRO A 76 8.867 -14.308 -2.975 1.00 0.00 C ATOM 1194 C PRO A 76 9.749 -14.065 -1.757 1.00 0.00 C ATOM 1195 O PRO A 76 10.731 -13.325 -1.828 1.00 0.00 O ATOM 1196 CB PRO A 76 9.618 -15.138 -4.022 1.00 0.00 C ATOM 1197 CG PRO A 76 9.215 -14.561 -5.336 1.00 0.00 C ATOM 1198 CD PRO A 76 8.980 -13.099 -5.088 1.00 0.00 C ATOM 0 HA PRO A 76 7.974 -14.798 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.696 -15.073 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.350 -16.192 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.994 -14.710 -6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.314 -15.043 -5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.886 -12.513 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.221 -12.693 -5.757 1.00 0.00 H new ATOM 1206 N GLY A 77 9.435 -14.661 -0.676 1.00 0.00 N ATOM 1207 CA GLY A 77 10.171 -14.539 0.517 1.00 0.00 C ATOM 1208 C GLY A 77 9.524 -13.710 1.614 1.00 0.00 C ATOM 1209 O GLY A 77 9.773 -13.672 2.778 1.00 0.00 O ATOM 0 H GLY A 77 8.624 -15.274 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.361 -15.539 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.140 -14.100 0.280 1.00 0.00 H new ATOM 1213 N THR A 78 8.488 -12.914 1.138 1.00 0.00 N ATOM 1214 CA THR A 78 7.781 -12.007 2.044 1.00 0.00 C ATOM 1215 C THR A 78 6.358 -12.622 2.399 1.00 0.00 C ATOM 1216 O THR A 78 5.619 -13.058 1.587 1.00 0.00 O ATOM 1217 CB THR A 78 7.563 -10.617 1.428 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.881 -9.552 2.297 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.084 -10.441 0.932 1.00 0.00 C ATOM 0 H THR A 78 8.160 -12.903 0.172 1.00 0.00 H new ATOM 0 HA THR A 78 8.400 -11.894 2.934 1.00 0.00 H new ATOM 0 HB THR A 78 8.253 -10.571 0.586 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.721 -8.699 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.961 -9.447 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.862 -11.194 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.402 -10.559 1.774 1.00 0.00 H new ATOM 1227 N LYS A 79 6.191 -12.642 3.700 1.00 0.00 N ATOM 1228 CA LYS A 79 4.886 -13.232 4.243 1.00 0.00 C ATOM 1229 C LYS A 79 4.019 -12.165 4.755 1.00 0.00 C ATOM 1230 O LYS A 79 4.497 -11.133 5.399 1.00 0.00 O ATOM 1231 CB LYS A 79 5.232 -14.223 5.311 1.00 0.00 C ATOM 1232 CG LYS A 79 4.103 -15.270 5.505 1.00 0.00 C ATOM 1233 CD LYS A 79 3.493 -15.623 4.182 1.00 0.00 C ATOM 1234 CE LYS A 79 4.579 -16.085 3.132 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.406 -17.173 3.661 1.00 0.00 N ATOM 0 H LYS A 79 6.854 -12.298 4.394 1.00 0.00 H new ATOM 0 HA LYS A 79 4.335 -13.737 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.160 -14.732 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.409 -13.700 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.505 -16.165 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.338 -14.872 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.762 -16.419 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.954 -14.760 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.086 -16.413 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.214 -15.239 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.992 -17.567 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.021 -16.806 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.793 -17.919 4.047 1.00 0.00 H new ATOM 1249 N MET A 80 2.768 -12.247 4.580 1.00 0.00 N ATOM 1250 CA MET A 80 1.804 -11.225 5.139 1.00 0.00 C ATOM 1251 C MET A 80 1.061 -11.739 6.381 1.00 0.00 C ATOM 1252 O MET A 80 0.271 -12.650 6.284 1.00 0.00 O ATOM 1253 CB MET A 80 0.830 -10.831 4.025 1.00 0.00 C ATOM 1254 CG MET A 80 0.055 -9.476 4.385 1.00 0.00 C ATOM 1255 SD MET A 80 1.028 -8.095 3.730 1.00 0.00 S ATOM 1256 CE MET A 80 1.396 -8.651 2.067 1.00 0.00 C ATOM 0 H MET A 80 2.320 -12.998 4.056 1.00 0.00 H new ATOM 0 HA MET A 80 2.363 -10.351 5.474 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.375 -10.704 3.090 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.110 -11.634 3.867 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.945 -9.480 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.067 -9.380 5.464 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.437 -7.792 1.397 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.358 -9.164 2.059 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.617 -9.336 1.732 1.00 0.00 H new ATOM 1266 N ILE A 81 1.377 -11.168 7.521 1.00 0.00 N ATOM 1267 CA ILE A 81 0.820 -11.498 8.823 1.00 0.00 C ATOM 1268 C ILE A 81 -0.210 -10.524 9.268 1.00 0.00 C ATOM 1269 O ILE A 81 0.136 -9.344 9.337 1.00 0.00 O ATOM 1270 CB ILE A 81 1.757 -11.555 9.929 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.770 -12.649 9.584 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.119 -11.793 11.303 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.922 -12.117 8.752 1.00 0.00 C ATOM 0 H ILE A 81 2.067 -10.419 7.573 1.00 0.00 H new ATOM 0 HA ILE A 81 0.423 -12.494 8.626 1.00 0.00 H new ATOM 0 HB ILE A 81 2.228 -10.578 10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.159 -13.086 10.504 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.268 -13.448 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.897 -11.820 12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.421 -10.986 11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.584 -12.743 11.296 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.616 -12.928 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.537 -11.704 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.442 -11.336 9.307 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.537 -10.899 9.709 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.609 -10.022 10.179 1.00 0.00 C ATOM 1287 C PHE A 82 -3.473 -9.580 9.001 1.00 0.00 C ATOM 1288 O PHE A 82 -3.092 -9.743 7.842 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.021 -8.798 10.882 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.964 -8.161 11.864 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.015 -8.595 13.178 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.798 -7.127 11.470 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.880 -8.010 14.082 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.667 -6.538 12.370 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.707 -6.980 13.678 1.00 0.00 C ATOM 0 H PHE A 82 -1.825 -11.877 9.718 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.227 -10.572 10.889 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.110 -9.091 11.403 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.736 -8.060 10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.371 -9.400 13.500 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.769 -6.777 10.449 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.910 -8.358 15.104 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.313 -5.734 12.051 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.384 -6.521 14.384 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.633 -9.092 9.310 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.598 -8.587 8.292 1.00 0.00 C ATOM 1307 C ALA A 83 -7.035 -8.817 8.618 1.00 0.00 C ATOM 1308 O ALA A 83 -7.568 -9.886 8.329 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.224 -9.208 6.958 1.00 0.00 C ATOM 0 H ALA A 83 -4.971 -9.017 10.270 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.514 -7.501 8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.912 -8.859 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.207 -8.918 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.284 -10.294 7.033 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.635 -7.839 9.385 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.974 -8.057 9.821 1.00 0.00 C ATOM 1317 C GLY A 84 -9.984 -7.749 8.715 1.00 0.00 C ATOM 1318 O GLY A 84 -11.195 -7.528 8.895 1.00 0.00 O ATOM 0 H GLY A 84 -7.205 -6.960 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.089 -9.093 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.181 -7.430 10.688 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.486 -7.678 7.448 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.359 -7.368 6.317 1.00 0.00 C ATOM 1324 C ILE A 85 -10.041 -8.321 5.196 1.00 0.00 C ATOM 1325 O ILE A 85 -8.987 -8.871 5.022 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.048 -5.930 5.776 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.465 -4.892 6.850 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.969 -5.697 4.572 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.646 -4.161 6.579 1.00 0.00 C ATOM 0 H ILE A 85 -8.507 -7.830 7.204 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.396 -7.442 6.643 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.991 -5.835 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.593 -5.412 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.646 -4.185 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.787 -4.704 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.767 -6.448 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.009 -5.773 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.840 -3.466 7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.524 -3.603 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.486 -4.849 6.481 1.00 0.00 H new ATOM 1341 N LYS A 86 -11.070 -8.690 4.475 1.00 0.00 N ATOM 1342 CA LYS A 86 -11.032 -9.600 3.334 1.00 0.00 C ATOM 1343 C LYS A 86 -12.036 -9.275 2.265 1.00 0.00 C ATOM 1344 O LYS A 86 -11.685 -9.326 1.065 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.203 -11.032 3.808 1.00 0.00 C ATOM 1346 CG LYS A 86 -12.214 -11.132 4.998 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.514 -11.762 6.153 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.174 -11.293 7.547 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.262 -11.336 8.598 1.00 0.00 N ATOM 0 H LYS A 86 -12.012 -8.351 4.671 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.053 -9.474 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.553 -11.650 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.237 -11.431 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.580 -10.142 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.082 -11.725 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.566 -12.847 6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.458 -11.491 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.559 -10.278 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.025 -11.934 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.728 -11.027 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.914 -12.309 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.462 -10.705 8.390 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.174 -8.839 2.616 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.282 -8.522 1.701 1.00 0.00 C ATOM 1365 C LYS A 87 -13.668 -7.807 0.523 1.00 0.00 C ATOM 1366 O LYS A 87 -13.076 -6.688 0.565 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.287 -7.647 2.374 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.706 -8.138 2.206 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.227 -8.558 3.588 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.554 -9.401 3.444 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.371 -10.508 2.550 1.00 0.00 N ATOM 0 H LYS A 87 -13.411 -8.671 3.594 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.803 -9.427 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.053 -7.586 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.208 -6.637 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.334 -7.353 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.739 -8.979 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.469 -9.146 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.415 -7.674 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.863 -9.768 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.356 -8.761 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.892 -11.334 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.730 -10.256 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.359 -10.738 2.485 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.753 -8.419 -0.685 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.244 -7.869 -1.969 1.00 0.00 C ATOM 1387 C LYS A 88 -13.751 -6.441 -2.085 1.00 0.00 C ATOM 1388 O LYS A 88 -12.980 -5.609 -2.533 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.792 -8.668 -3.166 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.300 -8.089 -4.491 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.583 -9.125 -5.623 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.614 -10.559 -4.998 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.868 -10.698 -4.264 1.00 0.00 N ATOM 0 H LYS A 88 -14.189 -9.334 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.155 -7.923 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.481 -9.709 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.882 -8.658 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.807 -7.148 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.233 -7.871 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.534 -8.904 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.812 -9.065 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.542 -11.317 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.763 -10.704 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.670 -10.738 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.481 -9.882 -4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.347 -11.573 -4.558 1.00 0.00 H new ATOM 1407 N THR A 89 -15.015 -6.161 -1.681 1.00 0.00 N ATOM 1408 CA THR A 89 -15.499 -4.871 -1.760 1.00 0.00 C ATOM 1409 C THR A 89 -14.851 -3.876 -0.794 1.00 0.00 C ATOM 1410 O THR A 89 -14.714 -2.701 -1.083 1.00 0.00 O ATOM 1411 CB THR A 89 -17.076 -4.861 -1.531 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.281 -4.768 -0.098 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.734 -6.061 -1.972 1.00 0.00 C ATOM 0 H THR A 89 -15.671 -6.847 -1.307 1.00 0.00 H new ATOM 0 HA THR A 89 -15.239 -4.535 -2.764 1.00 0.00 H new ATOM 0 HB THR A 89 -17.493 -4.033 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.242 -4.757 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.804 -5.979 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.563 -6.198 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.334 -6.916 -1.428 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.389 -4.385 0.290 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.691 -3.609 1.335 1.00 0.00 C ATOM 1423 C GLU A 90 -12.297 -3.229 0.889 1.00 0.00 C ATOM 1424 O GLU A 90 -11.907 -2.130 0.914 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.654 -4.373 2.623 1.00 0.00 C ATOM 1426 CG GLU A 90 -15.042 -4.813 3.124 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.613 -3.903 4.203 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.096 -2.886 3.769 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.500 -4.219 5.363 1.00 0.00 O ATOM 0 H GLU A 90 -14.471 -5.377 0.512 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.248 -2.687 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.028 -5.256 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.181 -3.756 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.732 -4.841 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.974 -5.828 3.514 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.580 -4.290 0.383 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.242 -4.097 -0.069 1.00 0.00 C ATOM 1438 C ARG A 91 -10.160 -3.096 -1.311 1.00 0.00 C ATOM 1439 O ARG A 91 -9.465 -2.102 -1.287 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.507 -5.313 -0.564 1.00 0.00 C ATOM 1441 CG ARG A 91 -9.113 -6.312 0.594 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.803 -6.932 0.319 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.763 -8.379 0.505 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.996 -9.190 -0.135 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -6.131 -8.751 -0.950 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -7.118 -10.525 0.039 1.00 0.00 N ATOM 0 H ARG A 91 -11.933 -5.243 0.298 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.779 -3.729 0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.129 -5.836 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.604 -4.997 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.078 -5.780 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.875 -7.086 0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.516 -6.703 -0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.056 -6.475 0.968 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.394 -8.780 1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.038 -7.747 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.527 -9.402 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.821 -10.894 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.508 -11.164 -0.471 1.00 0.00 H new ATOM 1460 N GLU A 92 -11.070 -3.374 -2.265 1.00 0.00 N ATOM 1461 CA GLU A 92 -11.147 -2.517 -3.441 1.00 0.00 C ATOM 1462 C GLU A 92 -11.496 -1.086 -3.047 1.00 0.00 C ATOM 1463 O GLU A 92 -10.958 -0.129 -3.608 1.00 0.00 O ATOM 1464 CB GLU A 92 -12.190 -3.057 -4.423 1.00 0.00 C ATOM 1465 CG GLU A 92 -12.125 -2.408 -5.796 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.820 -2.696 -6.515 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -10.056 -3.558 -6.035 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.565 -2.060 -7.559 1.00 0.00 O ATOM 0 H GLU A 92 -11.730 -4.151 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.170 -2.514 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.052 -4.133 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.185 -2.904 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.957 -2.766 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.248 -1.330 -5.691 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.375 -0.948 -2.077 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.835 0.393 -1.592 1.00 0.00 C ATOM 1477 C ASP A 93 -11.631 1.198 -1.050 1.00 0.00 C ATOM 1478 O ASP A 93 -11.389 2.360 -1.448 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.813 0.231 -0.507 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.110 1.546 0.219 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.559 1.495 1.351 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.758 2.585 -0.342 1.00 0.00 O ATOM 0 H ASP A 93 -12.803 -1.735 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.294 0.922 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.740 -0.172 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.437 -0.499 0.210 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.778 0.497 -0.211 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.571 1.134 0.298 1.00 0.00 C ATOM 1489 C GLY A 94 -8.628 1.614 -0.753 1.00 0.00 C ATOM 1490 O GLY A 94 -8.004 2.614 -0.713 1.00 0.00 O ATOM 0 H GLY A 94 -10.924 -0.465 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.859 1.980 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.047 0.427 0.941 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.616 0.855 -1.911 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.688 1.111 -2.972 1.00 0.00 C ATOM 1496 C ILE A 95 -8.143 2.468 -3.628 1.00 0.00 C ATOM 1497 O ILE A 95 -7.292 3.264 -4.068 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.728 0.078 -4.001 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.599 -0.982 -3.743 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.552 0.677 -5.444 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.512 -1.999 -4.894 1.00 0.00 C ATOM 0 H ILE A 95 -9.252 0.077 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.675 1.137 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.709 -0.395 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.641 -0.475 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.796 -1.505 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.588 -0.127 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.355 1.387 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.591 1.187 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.721 -2.719 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.463 -2.523 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.290 -1.477 -5.825 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.436 2.764 -3.747 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.986 3.934 -4.271 1.00 0.00 C ATOM 1515 C ALA A 96 -9.345 5.104 -3.564 1.00 0.00 C ATOM 1516 O ALA A 96 -8.850 6.095 -4.140 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.429 3.929 -4.301 1.00 0.00 C ATOM 0 H ALA A 96 -10.157 2.110 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.753 4.021 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.787 4.869 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.777 3.101 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.814 3.814 -3.288 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.469 5.085 -2.219 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.946 6.144 -1.367 1.00 0.00 C ATOM 1525 C TYR A 97 -7.450 6.303 -1.604 1.00 0.00 C ATOM 1526 O TYR A 97 -6.924 7.414 -1.607 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.218 5.828 0.105 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.440 6.700 1.065 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.877 6.166 2.219 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.270 8.057 0.820 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.167 6.961 3.098 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.560 8.857 1.695 1.00 0.00 C ATOM 1533 CZ TYR A 97 -7.012 8.304 2.833 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.305 9.097 3.707 1.00 0.00 O ATOM 0 H TYR A 97 -9.934 4.334 -1.708 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.448 7.079 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.284 5.946 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.972 4.783 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.997 5.114 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.700 8.494 -0.069 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.735 6.531 3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.435 9.910 1.489 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.288 10.018 3.373 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.804 5.202 -1.789 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.292 5.157 -2.060 1.00 0.00 C ATOM 1546 C LEU A 98 -5.081 5.900 -3.343 1.00 0.00 C ATOM 1547 O LEU A 98 -3.962 6.568 -3.455 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.778 3.756 -2.171 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.561 3.421 -1.282 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.362 1.916 -1.209 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.415 4.091 -1.882 1.00 0.00 C ATOM 0 H LEU A 98 -7.246 4.283 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.744 5.608 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.588 3.070 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.509 3.568 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.702 3.763 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.501 1.693 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.252 1.451 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.190 1.523 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.523 3.886 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.269 3.723 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.594 5.166 -1.908 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.936 5.825 -4.357 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.669 6.475 -5.581 1.00 0.00 C ATOM 1565 C LYS A 99 -5.623 7.976 -5.470 1.00 0.00 C ATOM 1566 O LYS A 99 -4.719 8.554 -6.040 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.836 6.142 -6.552 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.262 4.720 -6.622 1.00 0.00 C ATOM 1569 CD LYS A 99 -6.072 3.852 -6.983 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.192 3.370 -5.837 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.312 1.913 -5.620 1.00 0.00 N ATOM 0 H LYS A 99 -6.817 5.312 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.693 6.129 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.699 6.742 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.546 6.460 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.677 4.406 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.051 4.602 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.441 2.977 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.445 4.409 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.152 3.620 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.467 3.896 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.639 1.732 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.996 1.517 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.385 1.463 -5.762 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.415 8.501 -4.647 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.448 9.913 -4.321 1.00 0.00 C ATOM 1587 C LYS A 100 -5.256 10.275 -3.396 1.00 0.00 C ATOM 1588 O LYS A 100 -4.646 11.384 -3.520 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.775 10.402 -3.739 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.629 11.306 -2.570 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.926 11.609 -1.875 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.977 12.135 -2.935 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.735 13.506 -3.397 1.00 0.00 N ATOM 0 H LYS A 100 -7.110 7.958 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.351 10.444 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.332 10.921 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.370 9.538 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.941 10.853 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.176 12.241 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.306 10.714 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.770 12.358 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.971 11.468 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.974 12.082 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.423 14.148 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.772 13.796 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.838 13.547 -4.431 1.00 0.00 H new ATOM 1607 N ALA A 101 -5.059 9.476 -2.443 1.00 0.00 N ATOM 1608 CA ALA A 101 -4.055 9.586 -1.426 1.00 0.00 C ATOM 1609 C ALA A 101 -2.688 9.739 -2.063 1.00 0.00 C ATOM 1610 O ALA A 101 -1.767 10.345 -1.460 1.00 0.00 O ATOM 1611 CB ALA A 101 -4.043 8.385 -0.451 1.00 0.00 C ATOM 0 H ALA A 101 -5.636 8.644 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.301 10.471 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.261 8.529 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.010 8.311 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.850 7.467 -1.007 1.00 0.00 H new ATOM 1617 N THR A 102 -2.545 9.168 -3.233 1.00 0.00 N ATOM 1618 CA THR A 102 -1.291 9.295 -3.946 1.00 0.00 C ATOM 1619 C THR A 102 -1.450 10.268 -5.011 1.00 0.00 C ATOM 1620 O THR A 102 -0.496 10.958 -5.462 1.00 0.00 O ATOM 1621 CB THR A 102 -0.892 7.944 -4.642 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.066 8.054 -5.677 1.00 0.00 O ATOM 1623 CG2 THR A 102 -2.068 7.201 -5.142 1.00 0.00 C ATOM 0 H THR A 102 -3.263 8.621 -3.707 1.00 0.00 H new ATOM 0 HA THR A 102 -0.529 9.588 -3.223 1.00 0.00 H new ATOM 0 HB THR A 102 -0.414 7.386 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.051 7.241 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.740 6.275 -5.614 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.732 6.968 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.601 7.811 -5.871 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.707 10.580 -5.399 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.071 11.583 -6.357 1.00 0.00 C ATOM 1633 C ASN A 103 -4.534 12.100 -6.105 1.00 0.00 C ATOM 1634 O ASN A 103 -5.445 11.328 -6.417 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.907 11.128 -7.731 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.829 10.036 -7.847 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -2.190 8.763 -7.641 1.00 0.00 O flip ATOM 1638 ND2 ASN A 103 -0.696 10.326 -8.203 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.520 10.098 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.383 12.416 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.857 10.742 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.638 11.973 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.443 11.303 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.004 9.591 -8.349 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.715 13.250 -5.590 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.978 13.861 -5.331 1.00 0.00 C ATOM 1647 C GLU A 104 -5.896 14.862 -4.268 1.00 0.00 C ATOM 1648 O GLU A 104 -6.279 16.022 -4.448 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.953 12.758 -4.965 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.697 12.183 -6.184 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.137 12.606 -6.410 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.302 13.567 -7.179 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -10.004 12.005 -5.735 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.546 14.547 -3.119 1.00 0.00 O ATOM 0 H GLU A 104 -3.933 13.843 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.316 14.393 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.413 11.955 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.681 13.146 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.129 12.447 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.678 11.096 -6.104 1.00 0.00 H new