USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 934 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 Single : A 1 GLY N :NH3+ 130:sc= 0.0502 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00875 X(o=-0.0087,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc=-0.00631 (180deg=-0.121) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -7.76! C(o=-7.8!,f=-8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.9!) USER MOD Single : A 45 CYS SG : rot -127:sc= -0.241 USER MOD Single : A 50 HIS : no HE2:sc= 0.252 K(o=0.25,f=-2.6!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.795 F(o=-6.4!,f=-0.8) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -3.71! C(o=-4.6!,f=-3.7!) USER MOD Single : A 54 ASN : amide:sc= -0.441 K(o=-0.44,f=-1.5) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 110:sc= -1.71! USER MOD Single : A 63 THR OG1 : rot 170:sc= -2.59 USER MOD Single : A 74 HIS : no HD1:sc= -15.2! C(o=-15!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.189! C(o=0.19!,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.231 F(o=-0.89,f=-0.23) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00728 X(o=-0.0073,f=-0.0035) USER MOD Single : A 99 HIS : no HD1:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : A 101 ASN : amide:sc=-0.00481 K(o=-0.0048,f=-2.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -47:sc= 0.411 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.391 23.277 -6.465 1.00 0.00 N ATOM 2 CA GLY A 1 -25.202 22.347 -5.365 1.00 0.00 C ATOM 3 C GLY A 1 -23.715 22.087 -5.116 1.00 0.00 C ATOM 4 O GLY A 1 -22.907 22.150 -6.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.080 22.884 -7.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.744 24.183 -6.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.484 23.430 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.661 22.749 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.707 21.407 -5.588 1.00 0.00 H new ATOM 8 N ILE A 2 -23.399 21.800 -3.862 1.00 0.00 N ATOM 9 CA ILE A 2 -22.023 21.529 -3.479 1.00 0.00 C ATOM 10 C ILE A 2 -21.988 20.326 -2.535 1.00 0.00 C ATOM 11 O ILE A 2 -21.568 20.446 -1.386 1.00 0.00 O ATOM 12 CB ILE A 2 -21.372 22.786 -2.899 1.00 0.00 C ATOM 13 CG1 ILE A 2 -21.909 23.084 -1.497 1.00 0.00 C ATOM 14 CG2 ILE A 2 -21.541 23.978 -3.843 1.00 0.00 C ATOM 15 CD1 ILE A 2 -20.778 23.094 -0.467 1.00 0.00 C ATOM 0 H ILE A 2 -24.072 21.749 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 2 -21.429 21.265 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.302 22.602 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.416 24.049 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.650 22.334 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.069 24.858 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -21.072 23.753 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -22.602 24.174 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -21.187 23.308 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.289 22.120 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.051 23.861 -0.733 1.00 0.00 H new ATOM 27 N PRO A 3 -22.447 19.162 -3.070 1.00 0.00 N ATOM 28 CA PRO A 3 -22.471 17.938 -2.288 1.00 0.00 C ATOM 29 C PRO A 3 -21.065 17.355 -2.138 1.00 0.00 C ATOM 30 O PRO A 3 -20.887 16.304 -1.524 1.00 0.00 O ATOM 31 CB PRO A 3 -23.421 17.014 -3.033 1.00 0.00 C ATOM 32 CG PRO A 3 -23.531 17.577 -4.441 1.00 0.00 C ATOM 33 CD PRO A 3 -22.952 18.982 -4.427 1.00 0.00 C ATOM 0 HA PRO A 3 -22.813 18.099 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -23.040 15.993 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.396 16.983 -2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -22.989 16.948 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -24.572 17.596 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -22.155 19.089 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -23.712 19.726 -4.669 1.00 0.00 H new ATOM 41 N ASP A 4 -20.101 18.062 -2.709 1.00 0.00 N ATOM 42 CA ASP A 4 -18.716 17.628 -2.647 1.00 0.00 C ATOM 43 C ASP A 4 -17.885 18.691 -1.926 1.00 0.00 C ATOM 44 O ASP A 4 -16.767 18.995 -2.340 1.00 0.00 O ATOM 45 CB ASP A 4 -18.134 17.442 -4.049 1.00 0.00 C ATOM 46 CG ASP A 4 -16.880 16.568 -4.118 1.00 0.00 C ATOM 47 OD1 ASP A 4 -17.053 15.330 -4.151 1.00 0.00 O ATOM 48 OD2 ASP A 4 -15.778 17.157 -4.136 1.00 0.00 O ATOM 0 H ASP A 4 -20.252 18.933 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.684 16.677 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.900 17.003 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.898 18.423 -4.461 1.00 0.00 H new ATOM 53 N LEU A 5 -18.463 19.227 -0.861 1.00 0.00 N ATOM 54 CA LEU A 5 -17.789 20.250 -0.080 1.00 0.00 C ATOM 55 C LEU A 5 -17.019 21.180 -1.019 1.00 0.00 C ATOM 56 O LEU A 5 -15.889 20.883 -1.403 1.00 0.00 O ATOM 57 CB LEU A 5 -16.917 19.610 1.002 1.00 0.00 C ATOM 58 CG LEU A 5 -17.510 19.583 2.413 1.00 0.00 C ATOM 59 CD1 LEU A 5 -17.334 18.205 3.055 1.00 0.00 C ATOM 60 CD2 LEU A 5 -16.918 20.698 3.277 1.00 0.00 C ATOM 0 H LEU A 5 -19.390 18.972 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.517 20.864 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.695 18.586 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.968 20.144 1.039 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.581 19.768 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.764 18.213 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.840 17.454 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.272 17.966 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.356 20.657 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.838 20.568 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.138 21.665 2.824 1.00 0.00 H new ATOM 72 N VAL A 6 -17.663 22.286 -1.363 1.00 0.00 N ATOM 73 CA VAL A 6 -17.053 23.261 -2.251 1.00 0.00 C ATOM 74 C VAL A 6 -17.141 24.650 -1.614 1.00 0.00 C ATOM 75 O VAL A 6 -17.026 24.787 -0.397 1.00 0.00 O ATOM 76 CB VAL A 6 -17.708 23.194 -3.632 1.00 0.00 C ATOM 77 CG1 VAL A 6 -16.767 23.731 -4.712 1.00 0.00 C ATOM 78 CG2 VAL A 6 -18.159 21.768 -3.956 1.00 0.00 C ATOM 0 H VAL A 6 -18.601 22.528 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.996 23.036 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 6 -18.594 23.829 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.257 23.672 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.518 24.769 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -15.855 23.135 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -18.621 21.748 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -17.296 21.102 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.882 21.437 -3.210 1.00 0.00 H new ATOM 88 N LYS A 7 -17.344 25.644 -2.466 1.00 0.00 N ATOM 89 CA LYS A 7 -17.449 27.017 -2.002 1.00 0.00 C ATOM 90 C LYS A 7 -16.443 27.247 -0.872 1.00 0.00 C ATOM 91 O LYS A 7 -16.667 28.083 0.002 1.00 0.00 O ATOM 92 CB LYS A 7 -18.893 27.343 -1.615 1.00 0.00 C ATOM 93 CG LYS A 7 -19.508 28.348 -2.591 1.00 0.00 C ATOM 94 CD LYS A 7 -18.723 29.661 -2.594 1.00 0.00 C ATOM 95 CE LYS A 7 -19.543 30.792 -1.972 1.00 0.00 C ATOM 96 NZ LYS A 7 -19.084 32.105 -2.478 1.00 0.00 N ATOM 0 H LYS A 7 -17.439 25.526 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.194 27.710 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.486 26.429 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.920 27.749 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.519 27.925 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.545 28.541 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.793 29.534 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.451 29.924 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.599 30.655 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.450 30.762 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.652 32.861 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.082 32.241 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.195 32.137 -3.512 1.00 0.00 H new ATOM 110 N GLY A 8 -15.357 26.491 -0.927 1.00 0.00 N ATOM 111 CA GLY A 8 -14.316 26.602 0.081 1.00 0.00 C ATOM 112 C GLY A 8 -14.255 25.343 0.948 1.00 0.00 C ATOM 113 O GLY A 8 -14.733 25.341 2.081 1.00 0.00 O ATOM 0 H GLY A 8 -15.175 25.799 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.352 26.762 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.505 27.472 0.710 1.00 0.00 H new ATOM 117 N PRO A 9 -13.648 24.274 0.367 1.00 0.00 N ATOM 118 CA PRO A 9 -13.518 23.011 1.074 1.00 0.00 C ATOM 119 C PRO A 9 -12.429 23.091 2.145 1.00 0.00 C ATOM 120 O PRO A 9 -11.939 24.176 2.457 1.00 0.00 O ATOM 121 CB PRO A 9 -13.215 21.985 -0.006 1.00 0.00 C ATOM 122 CG PRO A 9 -12.727 22.777 -1.208 1.00 0.00 C ATOM 123 CD PRO A 9 -13.070 24.239 -0.973 1.00 0.00 C ATOM 0 HA PRO A 9 -14.422 22.740 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.457 21.277 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.104 21.406 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.652 22.653 -1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.200 22.416 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.183 24.869 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.776 24.605 -1.718 1.00 0.00 H new ATOM 131 N TRP A 10 -12.082 21.930 2.680 1.00 0.00 N ATOM 132 CA TRP A 10 -11.060 21.855 3.710 1.00 0.00 C ATOM 133 C TRP A 10 -9.744 22.349 3.106 1.00 0.00 C ATOM 134 O TRP A 10 -9.615 22.451 1.887 1.00 0.00 O ATOM 135 CB TRP A 10 -10.961 20.440 4.282 1.00 0.00 C ATOM 136 CG TRP A 10 -12.253 19.940 4.932 1.00 0.00 C ATOM 137 CD1 TRP A 10 -13.515 20.199 4.565 1.00 0.00 C ATOM 138 CD2 TRP A 10 -12.357 19.078 6.086 1.00 0.00 C ATOM 139 NE1 TRP A 10 -14.422 19.570 5.394 1.00 0.00 N ATOM 140 CE2 TRP A 10 -13.696 18.867 6.348 1.00 0.00 C ATOM 141 CE3 TRP A 10 -11.354 18.497 6.881 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -14.154 18.073 7.406 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -11.829 17.706 7.934 1.00 0.00 C ATOM 144 CH2 TRP A 10 -13.172 17.483 8.211 1.00 0.00 C ATOM 0 H TRP A 10 -12.491 21.033 2.419 1.00 0.00 H new ATOM 0 HA TRP A 10 -11.317 22.493 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -10.680 19.755 3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.160 20.413 5.021 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -13.788 20.822 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -15.438 19.613 5.320 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -10.301 18.649 6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -15.207 17.924 7.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -11.099 17.236 8.577 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -13.457 16.857 9.044 1.00 0.00 H new ATOM 155 N THR A 11 -8.799 22.642 3.987 1.00 0.00 N ATOM 156 CA THR A 11 -7.497 23.123 3.557 1.00 0.00 C ATOM 157 C THR A 11 -6.425 22.753 4.584 1.00 0.00 C ATOM 158 O THR A 11 -6.741 22.254 5.663 1.00 0.00 O ATOM 159 CB THR A 11 -7.607 24.628 3.308 1.00 0.00 C ATOM 160 OG1 THR A 11 -7.528 25.202 4.610 1.00 0.00 O ATOM 161 CG2 THR A 11 -8.992 25.039 2.804 1.00 0.00 C ATOM 0 H THR A 11 -8.909 22.556 4.997 1.00 0.00 H new ATOM 0 HA THR A 11 -7.188 22.647 2.626 1.00 0.00 H new ATOM 0 HB THR A 11 -6.852 24.931 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.590 26.178 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.016 26.117 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.204 24.528 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.744 24.766 3.544 1.00 0.00 H new ATOM 169 N LYS A 12 -5.180 23.012 4.213 1.00 0.00 N ATOM 170 CA LYS A 12 -4.060 22.713 5.089 1.00 0.00 C ATOM 171 C LYS A 12 -4.452 23.024 6.535 1.00 0.00 C ATOM 172 O LYS A 12 -3.988 22.363 7.463 1.00 0.00 O ATOM 173 CB LYS A 12 -2.803 23.449 4.621 1.00 0.00 C ATOM 174 CG LYS A 12 -1.718 23.422 5.700 1.00 0.00 C ATOM 175 CD LYS A 12 -1.766 24.688 6.558 1.00 0.00 C ATOM 176 CE LYS A 12 -0.628 25.642 6.191 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.166 26.382 7.387 1.00 0.00 N ATOM 0 H LYS A 12 -4.922 23.426 3.317 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.815 21.652 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.425 22.987 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.052 24.482 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.851 22.544 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.737 23.332 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.724 25.189 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.695 24.420 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.201 25.080 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.966 26.345 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.607 27.025 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.955 26.933 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.176 25.708 8.102 1.00 0.00 H new ATOM 191 N GLU A 13 -5.303 24.029 6.681 1.00 0.00 N ATOM 192 CA GLU A 13 -5.763 24.435 7.998 1.00 0.00 C ATOM 193 C GLU A 13 -6.526 23.291 8.670 1.00 0.00 C ATOM 194 O GLU A 13 -6.188 22.882 9.779 1.00 0.00 O ATOM 195 CB GLU A 13 -6.626 25.695 7.913 1.00 0.00 C ATOM 196 CG GLU A 13 -6.294 26.665 9.049 1.00 0.00 C ATOM 197 CD GLU A 13 -7.502 26.872 9.964 1.00 0.00 C ATOM 198 OE1 GLU A 13 -8.398 27.642 9.556 1.00 0.00 O ATOM 199 OE2 GLU A 13 -7.502 26.257 11.052 1.00 0.00 O ATOM 0 H GLU A 13 -5.686 24.574 5.909 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.892 24.672 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.466 26.186 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.680 25.422 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.456 26.278 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.979 27.623 8.634 1.00 0.00 H new ATOM 206 N GLU A 14 -7.540 22.808 7.968 1.00 0.00 N ATOM 207 CA GLU A 14 -8.354 21.719 8.483 1.00 0.00 C ATOM 208 C GLU A 14 -7.469 20.533 8.872 1.00 0.00 C ATOM 209 O GLU A 14 -7.876 19.685 9.665 1.00 0.00 O ATOM 210 CB GLU A 14 -9.416 21.300 7.465 1.00 0.00 C ATOM 211 CG GLU A 14 -10.630 22.230 7.524 1.00 0.00 C ATOM 212 CD GLU A 14 -10.208 23.662 7.858 1.00 0.00 C ATOM 213 OE1 GLU A 14 -10.102 23.955 9.068 1.00 0.00 O ATOM 214 OE2 GLU A 14 -10.001 24.431 6.895 1.00 0.00 O ATOM 0 H GLU A 14 -7.817 23.150 7.048 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.872 22.069 9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.990 21.316 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.729 20.275 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.151 22.215 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.333 21.870 8.275 1.00 0.00 H new ATOM 221 N ASP A 15 -6.276 20.512 8.296 1.00 0.00 N ATOM 222 CA ASP A 15 -5.331 19.444 8.573 1.00 0.00 C ATOM 223 C ASP A 15 -4.435 19.852 9.744 1.00 0.00 C ATOM 224 O ASP A 15 -3.810 19.003 10.378 1.00 0.00 O ATOM 225 CB ASP A 15 -4.434 19.175 7.363 1.00 0.00 C ATOM 226 CG ASP A 15 -5.063 18.308 6.271 1.00 0.00 C ATOM 227 OD1 ASP A 15 -6.291 18.442 6.077 1.00 0.00 O ATOM 228 OD2 ASP A 15 -4.303 17.530 5.656 1.00 0.00 O ATOM 0 H ASP A 15 -5.942 21.217 7.639 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.899 18.544 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.144 20.130 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.520 18.692 7.708 1.00 0.00 H new ATOM 233 N GLN A 16 -4.402 21.153 9.997 1.00 0.00 N ATOM 234 CA GLN A 16 -3.593 21.684 11.081 1.00 0.00 C ATOM 235 C GLN A 16 -4.397 21.702 12.383 1.00 0.00 C ATOM 236 O GLN A 16 -3.827 21.612 13.469 1.00 0.00 O ATOM 237 CB GLN A 16 -3.070 23.081 10.740 1.00 0.00 C ATOM 238 CG GLN A 16 -4.036 24.162 11.228 1.00 0.00 C ATOM 239 CD GLN A 16 -3.300 25.478 11.487 1.00 0.00 C ATOM 240 OE1 GLN A 16 -2.867 26.167 10.578 1.00 0.00 O ATOM 241 NE2 GLN A 16 -3.184 25.789 12.775 1.00 0.00 N ATOM 0 H GLN A 16 -4.922 21.854 9.470 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.730 21.032 11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.092 23.229 11.198 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.934 23.169 9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.818 24.319 10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.527 23.830 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.569 25.168 13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.710 26.649 13.051 1.00 0.00 H new ATOM 250 N LYS A 17 -5.708 21.818 12.230 1.00 0.00 N ATOM 251 CA LYS A 17 -6.595 21.848 13.381 1.00 0.00 C ATOM 252 C LYS A 17 -6.854 20.418 13.857 1.00 0.00 C ATOM 253 O LYS A 17 -6.770 20.132 15.051 1.00 0.00 O ATOM 254 CB LYS A 17 -7.870 22.628 13.053 1.00 0.00 C ATOM 255 CG LYS A 17 -8.733 22.818 14.302 1.00 0.00 C ATOM 256 CD LYS A 17 -9.108 24.289 14.491 1.00 0.00 C ATOM 257 CE LYS A 17 -10.614 24.446 14.714 1.00 0.00 C ATOM 258 NZ LYS A 17 -10.877 25.277 15.910 1.00 0.00 N ATOM 0 H LYS A 17 -6.177 21.892 11.327 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.127 22.380 14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.608 23.600 12.636 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.440 22.097 12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.638 22.216 14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.193 22.461 15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.566 24.700 15.343 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.805 24.861 13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.072 24.905 13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.074 23.465 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.903 25.373 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.457 24.824 16.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.455 26.219 15.778 1.00 0.00 H new ATOM 272 N VAL A 18 -7.164 19.556 12.900 1.00 0.00 N ATOM 273 CA VAL A 18 -7.436 18.162 13.207 1.00 0.00 C ATOM 274 C VAL A 18 -6.165 17.506 13.748 1.00 0.00 C ATOM 275 O VAL A 18 -6.228 16.670 14.648 1.00 0.00 O ATOM 276 CB VAL A 18 -7.995 17.453 11.971 1.00 0.00 C ATOM 277 CG1 VAL A 18 -7.601 15.975 11.962 1.00 0.00 C ATOM 278 CG2 VAL A 18 -9.514 17.616 11.886 1.00 0.00 C ATOM 0 H VAL A 18 -7.233 19.796 11.911 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.198 18.084 13.983 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.558 17.922 11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.011 15.495 11.074 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.515 15.888 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.997 15.488 12.853 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.886 17.103 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.976 17.186 12.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.763 18.675 11.824 1.00 0.00 H new ATOM 288 N ILE A 19 -5.039 17.909 13.177 1.00 0.00 N ATOM 289 CA ILE A 19 -3.755 17.371 13.591 1.00 0.00 C ATOM 290 C ILE A 19 -3.499 17.742 15.053 1.00 0.00 C ATOM 291 O ILE A 19 -3.569 16.887 15.935 1.00 0.00 O ATOM 292 CB ILE A 19 -2.650 17.829 12.637 1.00 0.00 C ATOM 293 CG1 ILE A 19 -2.603 16.948 11.388 1.00 0.00 C ATOM 294 CG2 ILE A 19 -1.297 17.884 13.351 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.996 16.422 11.035 1.00 0.00 C ATOM 0 H ILE A 19 -4.990 18.602 12.431 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.762 16.282 13.535 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.882 18.842 12.307 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.203 17.520 10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.926 16.110 11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.529 18.212 12.651 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.353 18.586 14.183 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.044 16.893 13.728 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.934 15.798 10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.383 15.831 11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.665 17.262 10.845 1.00 0.00 H new ATOM 307 N GLU A 20 -3.207 19.017 15.264 1.00 0.00 N ATOM 308 CA GLU A 20 -2.940 19.511 16.604 1.00 0.00 C ATOM 309 C GLU A 20 -3.974 18.961 17.589 1.00 0.00 C ATOM 310 O GLU A 20 -3.723 18.904 18.792 1.00 0.00 O ATOM 311 CB GLU A 20 -2.918 21.041 16.630 1.00 0.00 C ATOM 312 CG GLU A 20 -1.598 21.560 17.204 1.00 0.00 C ATOM 313 CD GLU A 20 -1.659 21.647 18.730 1.00 0.00 C ATOM 314 OE1 GLU A 20 -1.625 20.568 19.361 1.00 0.00 O ATOM 315 OE2 GLU A 20 -1.740 22.789 19.231 1.00 0.00 O ATOM 0 H GLU A 20 -3.149 19.723 14.530 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.954 19.161 16.909 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.057 21.428 15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.750 21.410 17.230 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.784 20.900 16.906 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.379 22.544 16.789 1.00 0.00 H new ATOM 322 N LEU A 21 -5.115 18.568 17.042 1.00 0.00 N ATOM 323 CA LEU A 21 -6.188 18.024 17.857 1.00 0.00 C ATOM 324 C LEU A 21 -5.903 16.549 18.148 1.00 0.00 C ATOM 325 O LEU A 21 -5.475 16.202 19.248 1.00 0.00 O ATOM 326 CB LEU A 21 -7.543 18.269 17.191 1.00 0.00 C ATOM 327 CG LEU A 21 -8.167 19.646 17.426 1.00 0.00 C ATOM 328 CD1 LEU A 21 -9.375 19.864 16.512 1.00 0.00 C ATOM 329 CD2 LEU A 21 -8.522 19.843 18.901 1.00 0.00 C ATOM 0 H LEU A 21 -5.320 18.616 16.044 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.234 18.536 18.818 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.429 18.122 16.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.242 17.510 17.544 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.427 20.404 17.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.800 20.850 16.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.060 19.796 15.471 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.127 19.101 16.714 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.964 20.830 19.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.236 19.079 19.209 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.619 19.761 19.507 1.00 0.00 H new ATOM 341 N VAL A 22 -6.153 15.722 17.144 1.00 0.00 N ATOM 342 CA VAL A 22 -5.929 14.292 17.279 1.00 0.00 C ATOM 343 C VAL A 22 -4.610 14.055 18.018 1.00 0.00 C ATOM 344 O VAL A 22 -4.464 13.063 18.731 1.00 0.00 O ATOM 345 CB VAL A 22 -5.972 13.624 15.904 1.00 0.00 C ATOM 346 CG1 VAL A 22 -5.215 12.295 15.916 1.00 0.00 C ATOM 347 CG2 VAL A 22 -7.415 13.428 15.435 1.00 0.00 C ATOM 0 H VAL A 22 -6.508 16.014 16.234 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.721 13.835 17.872 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.476 14.286 15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.261 11.841 14.926 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.174 12.472 16.186 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.670 11.624 16.645 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.417 12.951 14.455 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.946 12.797 16.147 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.911 14.396 15.369 1.00 0.00 H new ATOM 357 N LYS A 23 -3.684 14.982 17.823 1.00 0.00 N ATOM 358 CA LYS A 23 -2.383 14.886 18.462 1.00 0.00 C ATOM 359 C LYS A 23 -2.534 15.156 19.960 1.00 0.00 C ATOM 360 O LYS A 23 -2.044 14.386 20.786 1.00 0.00 O ATOM 361 CB LYS A 23 -1.376 15.808 17.770 1.00 0.00 C ATOM 362 CG LYS A 23 -1.069 17.032 18.635 1.00 0.00 C ATOM 363 CD LYS A 23 -0.030 17.931 17.962 1.00 0.00 C ATOM 364 CE LYS A 23 1.359 17.712 18.566 1.00 0.00 C ATOM 365 NZ LYS A 23 1.589 18.649 19.688 1.00 0.00 N ATOM 0 H LYS A 23 -3.809 15.803 17.231 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.982 13.878 18.358 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.455 15.261 17.568 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.773 16.129 16.807 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.985 17.597 18.811 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.701 16.710 19.609 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.002 17.723 16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.319 18.976 18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.451 16.684 18.918 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.122 17.857 17.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.536 18.487 20.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.521 19.628 19.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.872 18.491 20.424 1.00 0.00 H new ATOM 379 N LYS A 24 -3.213 16.251 20.266 1.00 0.00 N ATOM 380 CA LYS A 24 -3.435 16.632 21.651 1.00 0.00 C ATOM 381 C LYS A 24 -4.384 15.627 22.306 1.00 0.00 C ATOM 382 O LYS A 24 -4.422 15.509 23.530 1.00 0.00 O ATOM 383 CB LYS A 24 -3.919 18.081 21.737 1.00 0.00 C ATOM 384 CG LYS A 24 -3.606 18.682 23.109 1.00 0.00 C ATOM 385 CD LYS A 24 -4.859 18.726 23.987 1.00 0.00 C ATOM 386 CE LYS A 24 -5.505 20.113 23.951 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.700 21.080 24.731 1.00 0.00 N ATOM 0 H LYS A 24 -3.617 16.887 19.579 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.500 16.599 22.210 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.441 18.675 20.958 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.993 18.121 21.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.833 18.091 23.601 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.208 19.689 22.987 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.574 17.979 23.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.597 18.469 25.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.593 20.453 22.919 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.515 20.061 24.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.285 21.906 24.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.366 20.628 25.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.883 21.387 24.166 1.00 0.00 H new ATOM 401 N TYR A 25 -5.128 14.927 21.462 1.00 0.00 N ATOM 402 CA TYR A 25 -6.075 13.935 21.944 1.00 0.00 C ATOM 403 C TYR A 25 -5.412 12.562 22.074 1.00 0.00 C ATOM 404 O TYR A 25 -5.405 11.973 23.154 1.00 0.00 O ATOM 405 CB TYR A 25 -7.178 13.857 20.887 1.00 0.00 C ATOM 406 CG TYR A 25 -8.196 14.997 20.965 1.00 0.00 C ATOM 407 CD1 TYR A 25 -7.843 16.199 21.542 1.00 0.00 C ATOM 408 CD2 TYR A 25 -9.468 14.822 20.457 1.00 0.00 C ATOM 409 CE1 TYR A 25 -8.801 17.272 21.616 1.00 0.00 C ATOM 410 CE2 TYR A 25 -10.426 15.895 20.531 1.00 0.00 C ATOM 411 CZ TYR A 25 -10.045 17.067 21.106 1.00 0.00 C ATOM 412 OH TYR A 25 -10.950 18.079 21.176 1.00 0.00 O ATOM 0 H TYR A 25 -5.094 15.027 20.447 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.456 14.214 22.926 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.720 13.859 19.898 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.702 12.907 20.993 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.848 16.336 21.939 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.744 13.881 20.004 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.538 18.218 22.066 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.425 15.772 20.139 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.795 17.791 20.772 1.00 0.00 H new ATOM 422 N GLY A 26 -4.871 12.093 20.960 1.00 0.00 N ATOM 423 CA GLY A 26 -4.208 10.801 20.936 1.00 0.00 C ATOM 424 C GLY A 26 -5.083 9.723 21.578 1.00 0.00 C ATOM 425 O GLY A 26 -5.268 9.711 22.794 1.00 0.00 O ATOM 0 H GLY A 26 -4.878 12.585 20.067 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.981 10.524 19.907 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.258 10.866 21.466 1.00 0.00 H new ATOM 429 N THR A 27 -5.599 8.844 20.732 1.00 0.00 N ATOM 430 CA THR A 27 -6.451 7.764 21.201 1.00 0.00 C ATOM 431 C THR A 27 -7.285 7.202 20.048 1.00 0.00 C ATOM 432 O THR A 27 -7.042 6.088 19.587 1.00 0.00 O ATOM 433 CB THR A 27 -7.297 8.299 22.358 1.00 0.00 C ATOM 434 OG1 THR A 27 -8.479 7.503 22.321 1.00 0.00 O ATOM 435 CG2 THR A 27 -7.799 9.723 22.108 1.00 0.00 C ATOM 0 H THR A 27 -5.444 8.857 19.724 1.00 0.00 H new ATOM 0 HA THR A 27 -5.860 6.926 21.571 1.00 0.00 H new ATOM 0 HB THR A 27 -6.710 8.277 23.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.084 7.782 23.040 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.394 10.054 22.959 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.948 10.391 21.978 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.414 9.739 21.208 1.00 0.00 H new ATOM 443 N LYS A 28 -8.250 8.000 19.614 1.00 0.00 N ATOM 444 CA LYS A 28 -9.121 7.596 18.523 1.00 0.00 C ATOM 445 C LYS A 28 -10.328 8.535 18.466 1.00 0.00 C ATOM 446 O LYS A 28 -11.461 8.108 18.679 1.00 0.00 O ATOM 447 CB LYS A 28 -9.497 6.119 18.656 1.00 0.00 C ATOM 448 CG LYS A 28 -10.757 5.799 17.849 1.00 0.00 C ATOM 449 CD LYS A 28 -10.610 4.468 17.109 1.00 0.00 C ATOM 450 CE LYS A 28 -10.350 4.696 15.618 1.00 0.00 C ATOM 451 NZ LYS A 28 -10.315 3.405 14.895 1.00 0.00 N ATOM 0 H LYS A 28 -8.448 8.924 19.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.602 7.684 17.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.671 5.497 18.310 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.661 5.875 19.706 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.619 5.756 18.515 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.947 6.598 17.133 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.789 3.896 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.515 3.874 17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.130 5.333 15.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.404 5.221 15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.138 3.578 13.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.555 2.810 15.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.227 2.919 15.008 1.00 0.00 H new ATOM 465 N GLN A 29 -10.042 9.796 18.176 1.00 0.00 N ATOM 466 CA GLN A 29 -11.090 10.799 18.088 1.00 0.00 C ATOM 467 C GLN A 29 -11.292 11.229 16.633 1.00 0.00 C ATOM 468 O GLN A 29 -10.585 12.104 16.137 1.00 0.00 O ATOM 469 CB GLN A 29 -10.773 12.003 18.976 1.00 0.00 C ATOM 470 CG GLN A 29 -10.778 11.610 20.455 1.00 0.00 C ATOM 471 CD GLN A 29 -11.502 12.660 21.299 1.00 0.00 C ATOM 472 OE1 GLN A 29 -12.490 13.249 20.891 1.00 0.00 O ATOM 473 NE2 GLN A 29 -10.958 12.862 22.496 1.00 0.00 N ATOM 0 H GLN A 29 -9.100 10.146 17.999 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.019 10.358 18.449 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.798 12.411 18.708 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.507 12.790 18.803 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.265 10.642 20.576 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.753 11.498 20.809 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.131 12.335 22.776 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.368 13.544 23.134 1.00 0.00 H new ATOM 482 N TRP A 30 -12.261 10.592 15.991 1.00 0.00 N ATOM 483 CA TRP A 30 -12.565 10.898 14.603 1.00 0.00 C ATOM 484 C TRP A 30 -13.742 11.875 14.581 1.00 0.00 C ATOM 485 O TRP A 30 -14.089 12.411 13.530 1.00 0.00 O ATOM 486 CB TRP A 30 -12.833 9.620 13.806 1.00 0.00 C ATOM 487 CG TRP A 30 -11.591 9.036 13.130 1.00 0.00 C ATOM 488 CD1 TRP A 30 -10.760 8.097 13.601 1.00 0.00 C ATOM 489 CD2 TRP A 30 -11.072 9.393 11.831 1.00 0.00 C ATOM 490 NE1 TRP A 30 -9.746 7.824 12.705 1.00 0.00 N ATOM 491 CE2 TRP A 30 -9.942 8.637 11.595 1.00 0.00 C ATOM 492 CE3 TRP A 30 -11.541 10.324 10.888 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -9.187 8.734 10.420 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -10.776 10.409 9.719 1.00 0.00 C ATOM 495 CH2 TRP A 30 -9.636 9.655 9.466 1.00 0.00 C ATOM 0 H TRP A 30 -12.845 9.866 16.406 1.00 0.00 H new ATOM 0 HA TRP A 30 -11.712 11.371 14.116 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -13.257 8.870 14.474 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -13.584 9.830 13.044 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -10.870 7.614 14.561 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -8.992 7.150 12.834 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -12.422 10.926 11.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.306 8.131 10.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -11.094 11.109 8.961 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.099 9.779 8.537 1.00 0.00 H new ATOM 506 N THR A 31 -14.325 12.076 15.754 1.00 0.00 N ATOM 507 CA THR A 31 -15.457 12.978 15.883 1.00 0.00 C ATOM 508 C THR A 31 -14.995 14.432 15.765 1.00 0.00 C ATOM 509 O THR A 31 -15.573 15.212 15.009 1.00 0.00 O ATOM 510 CB THR A 31 -16.160 12.669 17.205 1.00 0.00 C ATOM 511 OG1 THR A 31 -17.543 12.639 16.864 1.00 0.00 O ATOM 512 CG2 THR A 31 -16.049 13.817 18.210 1.00 0.00 C ATOM 0 H THR A 31 -14.034 11.629 16.624 1.00 0.00 H new ATOM 0 HA THR A 31 -16.174 12.831 15.076 1.00 0.00 H new ATOM 0 HB THR A 31 -15.734 11.764 17.639 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.073 12.443 17.665 1.00 0.00 H new ATOM 0 HG21 THR A 31 -16.565 13.546 19.131 1.00 0.00 H new ATOM 0 HG22 THR A 31 -14.998 14.011 18.426 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.504 14.714 17.790 1.00 0.00 H new ATOM 520 N LEU A 32 -13.958 14.753 16.525 1.00 0.00 N ATOM 521 CA LEU A 32 -13.412 16.100 16.515 1.00 0.00 C ATOM 522 C LEU A 32 -13.176 16.540 15.069 1.00 0.00 C ATOM 523 O LEU A 32 -13.588 17.630 14.674 1.00 0.00 O ATOM 524 CB LEU A 32 -12.161 16.177 17.393 1.00 0.00 C ATOM 525 CG LEU A 32 -10.826 15.954 16.679 1.00 0.00 C ATOM 526 CD1 LEU A 32 -10.489 17.135 15.766 1.00 0.00 C ATOM 527 CD2 LEU A 32 -9.708 15.669 17.684 1.00 0.00 C ATOM 0 H LEU A 32 -13.482 14.104 17.151 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.123 16.802 16.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.136 17.157 17.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.253 15.437 18.188 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.921 15.073 16.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.536 16.951 15.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.272 17.250 15.016 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.419 18.046 16.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.770 15.514 17.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.604 16.516 18.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.952 14.774 18.256 1.00 0.00 H new ATOM 539 N ILE A 33 -12.515 15.670 14.320 1.00 0.00 N ATOM 540 CA ILE A 33 -12.220 15.956 12.926 1.00 0.00 C ATOM 541 C ILE A 33 -13.519 16.302 12.195 1.00 0.00 C ATOM 542 O ILE A 33 -13.538 17.190 11.343 1.00 0.00 O ATOM 543 CB ILE A 33 -11.449 14.796 12.293 1.00 0.00 C ATOM 544 CG1 ILE A 33 -10.073 14.634 12.941 1.00 0.00 C ATOM 545 CG2 ILE A 33 -11.351 14.965 10.775 1.00 0.00 C ATOM 546 CD1 ILE A 33 -10.113 13.591 14.060 1.00 0.00 C ATOM 0 H ILE A 33 -12.175 14.767 14.652 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.567 16.825 12.845 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.003 13.876 12.479 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.345 14.336 12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.741 15.591 13.343 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.798 14.127 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.353 14.993 10.347 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.832 15.896 10.545 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.122 13.495 14.504 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.824 13.904 14.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.421 12.629 13.650 1.00 0.00 H new ATOM 558 N ALA A 34 -14.573 15.584 12.554 1.00 0.00 N ATOM 559 CA ALA A 34 -15.872 15.805 11.943 1.00 0.00 C ATOM 560 C ALA A 34 -16.707 16.717 12.844 1.00 0.00 C ATOM 561 O ALA A 34 -17.918 16.832 12.666 1.00 0.00 O ATOM 562 CB ALA A 34 -16.552 14.458 11.688 1.00 0.00 C ATOM 0 H ALA A 34 -14.554 14.849 13.261 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.763 16.303 10.980 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.527 14.624 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.934 13.859 11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.681 13.931 12.633 1.00 0.00 H new ATOM 568 N LYS A 35 -16.025 17.342 13.793 1.00 0.00 N ATOM 569 CA LYS A 35 -16.688 18.241 14.722 1.00 0.00 C ATOM 570 C LYS A 35 -16.146 19.658 14.530 1.00 0.00 C ATOM 571 O LYS A 35 -16.900 20.628 14.586 1.00 0.00 O ATOM 572 CB LYS A 35 -16.557 17.721 16.155 1.00 0.00 C ATOM 573 CG LYS A 35 -17.681 18.264 17.040 1.00 0.00 C ATOM 574 CD LYS A 35 -17.193 19.441 17.887 1.00 0.00 C ATOM 575 CE LYS A 35 -17.517 19.224 19.366 1.00 0.00 C ATOM 576 NZ LYS A 35 -18.165 20.426 19.937 1.00 0.00 N ATOM 0 H LYS A 35 -15.020 17.243 13.938 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.758 18.279 14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.584 16.631 16.154 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.591 18.016 16.566 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.517 18.582 16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.051 17.472 17.691 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.117 19.563 17.761 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.661 20.362 17.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.174 18.362 19.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.603 19.001 19.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.378 20.261 20.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.525 21.241 19.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.048 20.621 19.423 1.00 0.00 H new ATOM 590 N HIS A 36 -14.842 19.733 14.306 1.00 0.00 N ATOM 591 CA HIS A 36 -14.189 21.016 14.105 1.00 0.00 C ATOM 592 C HIS A 36 -14.339 21.444 12.644 1.00 0.00 C ATOM 593 O HIS A 36 -14.033 22.582 12.292 1.00 0.00 O ATOM 594 CB HIS A 36 -12.730 20.960 14.560 1.00 0.00 C ATOM 595 CG HIS A 36 -12.553 20.597 16.015 1.00 0.00 C ATOM 596 ND1 HIS A 36 -11.747 21.321 16.876 1.00 0.00 N ATOM 597 CD2 HIS A 36 -13.087 19.580 16.751 1.00 0.00 C ATOM 598 CE1 HIS A 36 -11.801 20.756 18.073 1.00 0.00 C ATOM 599 NE2 HIS A 36 -12.631 19.677 17.994 1.00 0.00 N ATOM 0 H HIS A 36 -14.220 18.926 14.259 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.672 21.775 14.721 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.197 20.233 13.947 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.266 21.930 14.379 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -11.204 22.149 16.631 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.766 18.824 16.385 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.279 21.091 18.957 1.00 0.00 H new ATOM 607 N LEU A 37 -14.810 20.509 11.832 1.00 0.00 N ATOM 608 CA LEU A 37 -15.004 20.775 10.417 1.00 0.00 C ATOM 609 C LEU A 37 -16.210 19.980 9.913 1.00 0.00 C ATOM 610 O LEU A 37 -16.203 18.750 9.942 1.00 0.00 O ATOM 611 CB LEU A 37 -13.716 20.499 9.638 1.00 0.00 C ATOM 612 CG LEU A 37 -12.415 20.592 10.438 1.00 0.00 C ATOM 613 CD1 LEU A 37 -11.331 19.701 9.828 1.00 0.00 C ATOM 614 CD2 LEU A 37 -11.956 22.045 10.570 1.00 0.00 C ATOM 0 H LEU A 37 -15.063 19.566 12.127 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.227 21.830 10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.783 19.500 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.660 21.202 8.807 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.606 20.222 11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.417 19.786 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.668 18.665 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.134 20.017 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.029 22.083 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.787 22.465 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.724 22.624 11.083 1.00 0.00 H new ATOM 626 N LYS A 38 -17.217 20.714 9.463 1.00 0.00 N ATOM 627 CA LYS A 38 -18.427 20.093 8.954 1.00 0.00 C ATOM 628 C LYS A 38 -18.259 19.805 7.461 1.00 0.00 C ATOM 629 O LYS A 38 -17.298 20.259 6.842 1.00 0.00 O ATOM 630 CB LYS A 38 -19.649 20.953 9.280 1.00 0.00 C ATOM 631 CG LYS A 38 -19.598 22.285 8.529 1.00 0.00 C ATOM 632 CD LYS A 38 -20.146 22.135 7.109 1.00 0.00 C ATOM 633 CE LYS A 38 -21.505 22.824 6.969 1.00 0.00 C ATOM 634 NZ LYS A 38 -21.986 22.744 5.572 1.00 0.00 N ATOM 0 H LYS A 38 -17.219 21.734 9.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.599 19.136 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.559 20.415 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.692 21.138 10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.178 23.034 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.570 22.645 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.442 22.564 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.243 21.078 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.228 22.354 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.423 23.868 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.909 23.216 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.304 23.213 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.084 21.746 5.295 1.00 0.00 H new ATOM 648 N GLY A 39 -19.208 19.051 6.925 1.00 0.00 N ATOM 649 CA GLY A 39 -19.176 18.698 5.516 1.00 0.00 C ATOM 650 C GLY A 39 -18.763 17.237 5.327 1.00 0.00 C ATOM 651 O GLY A 39 -19.462 16.471 4.665 1.00 0.00 O ATOM 0 H GLY A 39 -20.003 18.675 7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.159 18.862 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -18.477 19.348 4.990 1.00 0.00 H new ATOM 655 N ARG A 40 -17.629 16.895 5.920 1.00 0.00 N ATOM 656 CA ARG A 40 -17.114 15.539 5.825 1.00 0.00 C ATOM 657 C ARG A 40 -17.375 14.779 7.127 1.00 0.00 C ATOM 658 O ARG A 40 -17.492 15.386 8.191 1.00 0.00 O ATOM 659 CB ARG A 40 -15.611 15.540 5.536 1.00 0.00 C ATOM 660 CG ARG A 40 -15.342 15.666 4.035 1.00 0.00 C ATOM 661 CD ARG A 40 -14.352 14.599 3.563 1.00 0.00 C ATOM 662 NE ARG A 40 -13.343 15.205 2.667 1.00 0.00 N ATOM 663 CZ ARG A 40 -13.630 15.772 1.487 1.00 0.00 C ATOM 664 NH1 ARG A 40 -14.898 15.814 1.055 1.00 0.00 N ATOM 665 NH2 ARG A 40 -12.650 16.297 0.740 1.00 0.00 N ATOM 0 H ARG A 40 -17.052 17.533 6.468 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.631 15.045 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.136 16.366 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.164 14.620 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.278 15.567 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.946 16.657 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.860 14.142 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.884 13.804 3.040 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.368 15.190 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.644 15.415 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.117 16.245 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.685 16.265 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.869 16.728 -0.158 1.00 0.00 H new ATOM 679 N LEU A 41 -17.459 13.463 7.000 1.00 0.00 N ATOM 680 CA LEU A 41 -17.705 12.614 8.154 1.00 0.00 C ATOM 681 C LEU A 41 -16.385 12.361 8.885 1.00 0.00 C ATOM 682 O LEU A 41 -15.365 12.966 8.559 1.00 0.00 O ATOM 683 CB LEU A 41 -18.430 11.335 7.733 1.00 0.00 C ATOM 684 CG LEU A 41 -19.958 11.386 7.771 1.00 0.00 C ATOM 685 CD1 LEU A 41 -20.474 11.309 9.209 1.00 0.00 C ATOM 686 CD2 LEU A 41 -20.484 12.623 7.039 1.00 0.00 C ATOM 0 H LEU A 41 -17.361 12.964 6.116 1.00 0.00 H new ATOM 0 HA LEU A 41 -18.370 13.112 8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.120 11.082 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.097 10.523 8.380 1.00 0.00 H new ATOM 0 HG LEU A 41 -20.342 10.512 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.563 11.347 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.144 10.375 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.082 12.150 9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -21.573 12.635 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.093 13.522 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.161 12.595 5.998 1.00 0.00 H new ATOM 698 N GLY A 42 -16.448 11.467 9.861 1.00 0.00 N ATOM 699 CA GLY A 42 -15.271 11.127 10.641 1.00 0.00 C ATOM 700 C GLY A 42 -14.734 9.748 10.251 1.00 0.00 C ATOM 701 O GLY A 42 -14.806 8.804 11.036 1.00 0.00 O ATOM 0 H GLY A 42 -17.296 10.968 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.498 11.879 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.518 11.138 11.703 1.00 0.00 H new ATOM 705 N LYS A 43 -14.207 9.676 9.037 1.00 0.00 N ATOM 706 CA LYS A 43 -13.658 8.429 8.533 1.00 0.00 C ATOM 707 C LYS A 43 -12.431 8.729 7.670 1.00 0.00 C ATOM 708 O LYS A 43 -11.366 8.148 7.874 1.00 0.00 O ATOM 709 CB LYS A 43 -14.737 7.623 7.808 1.00 0.00 C ATOM 710 CG LYS A 43 -14.196 6.265 7.355 1.00 0.00 C ATOM 711 CD LYS A 43 -13.953 5.344 8.552 1.00 0.00 C ATOM 712 CE LYS A 43 -14.360 3.905 8.229 1.00 0.00 C ATOM 713 NZ LYS A 43 -15.816 3.722 8.421 1.00 0.00 N ATOM 0 H LYS A 43 -14.149 10.461 8.388 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.323 7.800 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.591 7.476 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.095 8.183 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.904 5.798 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.265 6.405 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.900 5.374 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.520 5.702 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.090 3.667 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.813 3.214 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.075 2.740 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.065 3.929 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.333 4.368 7.791 1.00 0.00 H new ATOM 727 N GLN A 44 -12.620 9.637 6.723 1.00 0.00 N ATOM 728 CA GLN A 44 -11.542 10.021 5.828 1.00 0.00 C ATOM 729 C GLN A 44 -11.240 11.514 5.971 1.00 0.00 C ATOM 730 O GLN A 44 -11.913 12.348 5.366 1.00 0.00 O ATOM 731 CB GLN A 44 -11.880 9.666 4.379 1.00 0.00 C ATOM 732 CG GLN A 44 -10.623 9.674 3.505 1.00 0.00 C ATOM 733 CD GLN A 44 -10.592 10.908 2.601 1.00 0.00 C ATOM 734 OE1 GLN A 44 -10.590 12.041 3.054 1.00 0.00 O ATOM 735 NE2 GLN A 44 -10.568 10.626 1.302 1.00 0.00 N ATOM 0 H GLN A 44 -13.504 10.118 6.556 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.649 9.462 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.347 8.682 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.605 10.378 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.736 9.660 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.594 8.771 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.571 9.655 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.546 11.381 0.617 1.00 0.00 H new ATOM 744 N CYS A 45 -10.228 11.806 6.775 1.00 0.00 N ATOM 745 CA CYS A 45 -9.829 13.184 7.005 1.00 0.00 C ATOM 746 C CYS A 45 -8.416 13.184 7.591 1.00 0.00 C ATOM 747 O CYS A 45 -7.479 13.670 6.960 1.00 0.00 O ATOM 748 CB CYS A 45 -10.822 13.917 7.911 1.00 0.00 C ATOM 749 SG CYS A 45 -12.138 14.689 6.901 1.00 0.00 S ATOM 0 H CYS A 45 -9.673 11.112 7.275 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.830 13.727 6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.261 13.218 8.623 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -10.303 14.680 8.491 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.226 15.952 7.195 1.00 0.00 H new ATOM 755 N ARG A 46 -8.307 12.632 8.790 1.00 0.00 N ATOM 756 CA ARG A 46 -7.023 12.562 9.468 1.00 0.00 C ATOM 757 C ARG A 46 -6.227 11.353 8.973 1.00 0.00 C ATOM 758 O ARG A 46 -5.665 10.606 9.772 1.00 0.00 O ATOM 759 CB ARG A 46 -7.206 12.458 10.984 1.00 0.00 C ATOM 760 CG ARG A 46 -7.981 11.193 11.357 1.00 0.00 C ATOM 761 CD ARG A 46 -7.924 10.940 12.865 1.00 0.00 C ATOM 762 NE ARG A 46 -7.023 9.801 13.154 1.00 0.00 N ATOM 763 CZ ARG A 46 -6.980 9.157 14.328 1.00 0.00 C ATOM 764 NH1 ARG A 46 -7.785 9.535 15.330 1.00 0.00 N ATOM 765 NH2 ARG A 46 -6.131 8.134 14.500 1.00 0.00 N ATOM 0 H ARG A 46 -9.086 12.229 9.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.477 13.478 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.231 12.449 11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.738 13.336 11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.019 11.292 11.040 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.565 10.337 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.570 11.834 13.379 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.924 10.729 13.245 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.396 9.487 12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.431 10.313 15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.752 9.044 16.224 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.518 7.846 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.098 7.643 15.394 1.00 0.00 H new ATOM 779 N GLU A 47 -6.205 11.198 7.657 1.00 0.00 N ATOM 780 CA GLU A 47 -5.487 10.092 7.046 1.00 0.00 C ATOM 781 C GLU A 47 -4.191 10.591 6.403 1.00 0.00 C ATOM 782 O GLU A 47 -3.736 10.036 5.404 1.00 0.00 O ATOM 783 CB GLU A 47 -6.364 9.368 6.022 1.00 0.00 C ATOM 784 CG GLU A 47 -7.293 8.365 6.708 1.00 0.00 C ATOM 785 CD GLU A 47 -7.595 7.180 5.789 1.00 0.00 C ATOM 786 OE1 GLU A 47 -6.616 6.587 5.286 1.00 0.00 O ATOM 787 OE2 GLU A 47 -8.799 6.894 5.609 1.00 0.00 O ATOM 0 H GLU A 47 -6.673 11.820 6.997 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.230 9.376 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.955 10.095 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.733 8.850 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.832 8.007 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.223 8.859 6.988 1.00 0.00 H new ATOM 794 N ARG A 48 -3.634 11.633 7.002 1.00 0.00 N ATOM 795 CA ARG A 48 -2.400 12.213 6.500 1.00 0.00 C ATOM 796 C ARG A 48 -1.192 11.537 7.152 1.00 0.00 C ATOM 797 O ARG A 48 -0.269 11.110 6.462 1.00 0.00 O ATOM 798 CB ARG A 48 -2.346 13.717 6.778 1.00 0.00 C ATOM 799 CG ARG A 48 -0.994 14.302 6.364 1.00 0.00 C ATOM 800 CD ARG A 48 -1.103 15.807 6.111 1.00 0.00 C ATOM 801 NE ARG A 48 -0.171 16.538 6.999 1.00 0.00 N ATOM 802 CZ ARG A 48 -0.132 17.873 7.111 1.00 0.00 C ATOM 803 NH1 ARG A 48 -0.972 18.631 6.393 1.00 0.00 N ATOM 804 NH2 ARG A 48 0.746 18.450 7.942 1.00 0.00 N ATOM 0 H ARG A 48 -4.014 12.091 7.830 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.372 12.053 5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.146 14.220 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.517 13.901 7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.257 14.113 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.638 13.803 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.873 16.027 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.125 16.141 6.289 1.00 0.00 H new ATOM 0 HE ARG A 48 0.482 15.992 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.641 18.192 5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.942 19.647 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.385 17.873 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.776 19.466 8.027 1.00 0.00 H new ATOM 818 N TRP A 49 -1.239 11.461 8.474 1.00 0.00 N ATOM 819 CA TRP A 49 -0.160 10.844 9.226 1.00 0.00 C ATOM 820 C TRP A 49 -0.330 9.326 9.138 1.00 0.00 C ATOM 821 O TRP A 49 0.605 8.576 9.416 1.00 0.00 O ATOM 822 CB TRP A 49 -0.131 11.359 10.667 1.00 0.00 C ATOM 823 CG TRP A 49 -1.517 11.564 11.282 1.00 0.00 C ATOM 824 CD1 TRP A 49 -2.642 10.881 11.029 1.00 0.00 C ATOM 825 CD2 TRP A 49 -1.882 12.552 12.269 1.00 0.00 C ATOM 826 NE1 TRP A 49 -3.700 11.354 11.778 1.00 0.00 N ATOM 827 CE2 TRP A 49 -3.223 12.402 12.556 1.00 0.00 C ATOM 828 CE3 TRP A 49 -1.104 13.539 12.899 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -3.904 13.205 13.479 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -1.799 14.334 13.818 1.00 0.00 C ATOM 831 CH2 TRP A 49 -3.149 14.196 14.118 1.00 0.00 C ATOM 0 H TRP A 49 -2.007 11.816 9.043 1.00 0.00 H new ATOM 0 HA TRP A 49 0.808 11.112 8.801 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.428 10.654 11.283 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.411 12.305 10.693 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.712 10.063 10.327 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -4.656 11.000 11.763 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.053 13.673 12.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.955 13.067 13.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.248 15.109 14.330 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.614 14.850 14.841 1.00 0.00 H new ATOM 842 N HIS A 50 -1.529 8.918 8.749 1.00 0.00 N ATOM 843 CA HIS A 50 -1.833 7.503 8.620 1.00 0.00 C ATOM 844 C HIS A 50 -1.294 6.982 7.286 1.00 0.00 C ATOM 845 O HIS A 50 -0.411 6.126 7.261 1.00 0.00 O ATOM 846 CB HIS A 50 -3.332 7.252 8.792 1.00 0.00 C ATOM 847 CG HIS A 50 -3.718 6.759 10.166 1.00 0.00 C ATOM 848 ND1 HIS A 50 -3.529 5.449 10.573 1.00 0.00 N ATOM 849 CD2 HIS A 50 -4.284 7.412 11.222 1.00 0.00 C ATOM 850 CE1 HIS A 50 -3.965 5.332 11.819 1.00 0.00 C ATOM 851 NE2 HIS A 50 -4.433 6.549 12.219 1.00 0.00 N ATOM 0 H HIS A 50 -2.302 9.543 8.519 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.337 6.947 9.415 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.871 8.176 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.655 6.521 8.051 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.123 4.702 10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.564 8.455 11.243 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.952 4.431 12.414 1.00 0.00 H new ATOM 859 N ASN A 51 -1.848 7.520 6.210 1.00 0.00 N ATOM 860 CA ASN A 51 -1.434 7.120 4.876 1.00 0.00 C ATOM 861 C ASN A 51 -0.291 8.024 4.409 1.00 0.00 C ATOM 862 O ASN A 51 -0.325 8.549 3.297 1.00 0.00 O ATOM 863 CB ASN A 51 -2.585 7.259 3.877 1.00 0.00 C ATOM 864 CG ASN A 51 -3.716 6.283 4.205 1.00 0.00 C ATOM 865 OD1 ASN A 51 -3.858 6.036 5.504 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -4.414 5.787 3.336 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.580 8.230 6.235 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.118 6.078 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.965 8.281 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.220 7.072 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.251 6.020 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.160 5.140 3.589 1.00 0.00 H new ATOM 873 N HIS A 52 0.694 8.176 5.281 1.00 0.00 N ATOM 874 CA HIS A 52 1.846 9.007 4.972 1.00 0.00 C ATOM 875 C HIS A 52 3.026 8.120 4.573 1.00 0.00 C ATOM 876 O HIS A 52 3.463 8.142 3.424 1.00 0.00 O ATOM 877 CB HIS A 52 2.172 9.939 6.141 1.00 0.00 C ATOM 878 CG HIS A 52 2.218 11.401 5.766 1.00 0.00 C ATOM 879 ND1 HIS A 52 1.465 12.119 4.884 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 3.119 12.291 6.324 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 1.883 13.379 4.903 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 2.909 13.487 5.795 1.00 0.00 N flip ATOM 0 H HIS A 52 0.719 7.738 6.202 1.00 0.00 H new ATOM 0 HA HIS A 52 1.618 9.651 4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.426 9.798 6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.135 9.652 6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.867 12.051 7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.477 14.185 4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.424 14.339 6.016 1.00 0.00 H new ATOM 890 N LEU A 53 3.510 7.361 5.546 1.00 0.00 N ATOM 891 CA LEU A 53 4.631 6.467 5.310 1.00 0.00 C ATOM 892 C LEU A 53 4.469 5.801 3.943 1.00 0.00 C ATOM 893 O LEU A 53 3.642 4.906 3.778 1.00 0.00 O ATOM 894 CB LEU A 53 4.777 5.474 6.465 1.00 0.00 C ATOM 895 CG LEU A 53 6.182 5.330 7.053 1.00 0.00 C ATOM 896 CD1 LEU A 53 6.123 5.131 8.569 1.00 0.00 C ATOM 897 CD2 LEU A 53 6.956 4.209 6.357 1.00 0.00 C ATOM 0 H LEU A 53 3.146 7.347 6.499 1.00 0.00 H new ATOM 0 HA LEU A 53 5.565 7.028 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.099 5.775 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.447 4.494 6.119 1.00 0.00 H new ATOM 0 HG LEU A 53 6.726 6.257 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.135 5.031 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.637 5.991 9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.555 4.229 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.951 4.128 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.425 3.266 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.044 4.433 5.294 1.00 0.00 H new ATOM 909 N ASN A 54 5.272 6.264 2.996 1.00 0.00 N ATOM 910 CA ASN A 54 5.228 5.724 1.648 1.00 0.00 C ATOM 911 C ASN A 54 6.302 4.643 1.500 1.00 0.00 C ATOM 912 O ASN A 54 7.476 4.889 1.770 1.00 0.00 O ATOM 913 CB ASN A 54 5.507 6.812 0.609 1.00 0.00 C ATOM 914 CG ASN A 54 5.800 6.199 -0.762 1.00 0.00 C ATOM 915 OD1 ASN A 54 4.992 5.490 -1.339 1.00 0.00 O ATOM 916 ND2 ASN A 54 6.997 6.512 -1.250 1.00 0.00 N ATOM 0 H ASN A 54 5.957 7.007 3.136 1.00 0.00 H new ATOM 0 HA ASN A 54 4.232 5.314 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.648 7.480 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.355 7.417 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.287 6.153 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.625 7.111 -0.715 1.00 0.00 H new ATOM 923 N PRO A 55 5.848 3.439 1.061 1.00 0.00 N ATOM 924 CA PRO A 55 6.757 2.320 0.874 1.00 0.00 C ATOM 925 C PRO A 55 7.599 2.503 -0.390 1.00 0.00 C ATOM 926 O PRO A 55 8.685 3.079 -0.338 1.00 0.00 O ATOM 927 CB PRO A 55 5.862 1.092 0.820 1.00 0.00 C ATOM 928 CG PRO A 55 4.466 1.607 0.511 1.00 0.00 C ATOM 929 CD PRO A 55 4.464 3.111 0.731 1.00 0.00 C ATOM 0 HA PRO A 55 7.486 2.230 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.200 0.396 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.879 0.554 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.191 1.371 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.730 1.126 1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.133 3.641 -0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.787 3.392 1.538 1.00 0.00 H new ATOM 937 N GLU A 56 7.067 2.002 -1.495 1.00 0.00 N ATOM 938 CA GLU A 56 7.756 2.102 -2.770 1.00 0.00 C ATOM 939 C GLU A 56 9.170 1.527 -2.656 1.00 0.00 C ATOM 940 O GLU A 56 9.670 1.314 -1.552 1.00 0.00 O ATOM 941 CB GLU A 56 7.792 3.551 -3.261 1.00 0.00 C ATOM 942 CG GLU A 56 8.487 3.652 -4.620 1.00 0.00 C ATOM 943 CD GLU A 56 8.299 5.042 -5.230 1.00 0.00 C ATOM 944 OE1 GLU A 56 7.998 5.970 -4.448 1.00 0.00 O ATOM 945 OE2 GLU A 56 8.459 5.146 -6.465 1.00 0.00 O ATOM 0 H GLU A 56 6.166 1.525 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 56 7.205 1.517 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.776 3.938 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.315 4.172 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.550 3.442 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.084 2.897 -5.295 1.00 0.00 H new ATOM 952 N VAL A 57 9.774 1.293 -3.811 1.00 0.00 N ATOM 953 CA VAL A 57 11.120 0.747 -3.855 1.00 0.00 C ATOM 954 C VAL A 57 12.131 1.895 -3.862 1.00 0.00 C ATOM 955 O VAL A 57 13.267 1.724 -4.302 1.00 0.00 O ATOM 956 CB VAL A 57 11.267 -0.186 -5.059 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.688 -0.746 -5.148 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.235 -1.315 -5.006 1.00 0.00 C ATOM 0 H VAL A 57 9.356 1.471 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 57 11.317 0.145 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 57 11.080 0.397 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.766 -1.406 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.397 0.075 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.915 -1.307 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.361 -1.964 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.377 -1.895 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.231 -0.891 -5.013 1.00 0.00 H new ATOM 968 N LYS A 58 11.682 3.041 -3.370 1.00 0.00 N ATOM 969 CA LYS A 58 12.533 4.217 -3.314 1.00 0.00 C ATOM 970 C LYS A 58 12.402 4.999 -4.623 1.00 0.00 C ATOM 971 O LYS A 58 13.122 4.733 -5.584 1.00 0.00 O ATOM 972 CB LYS A 58 13.972 3.821 -2.976 1.00 0.00 C ATOM 973 CG LYS A 58 14.597 4.813 -1.992 1.00 0.00 C ATOM 974 CD LYS A 58 16.124 4.759 -2.056 1.00 0.00 C ATOM 975 CE LYS A 58 16.741 5.067 -0.690 1.00 0.00 C ATOM 976 NZ LYS A 58 17.645 6.235 -0.781 1.00 0.00 N ATOM 0 H LYS A 58 10.739 3.180 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 58 12.212 4.881 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.986 2.819 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.567 3.785 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.255 5.822 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.263 4.586 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.443 3.771 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.486 5.476 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.952 5.266 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.294 4.199 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.055 6.430 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.408 6.032 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.108 7.065 -1.104 1.00 0.00 H new ATOM 990 N LYS A 59 11.478 5.948 -4.617 1.00 0.00 N ATOM 991 CA LYS A 59 11.243 6.771 -5.792 1.00 0.00 C ATOM 992 C LYS A 59 11.231 5.882 -7.037 1.00 0.00 C ATOM 993 O LYS A 59 11.131 4.661 -6.932 1.00 0.00 O ATOM 994 CB LYS A 59 12.261 7.911 -5.860 1.00 0.00 C ATOM 995 CG LYS A 59 11.570 9.271 -5.743 1.00 0.00 C ATOM 996 CD LYS A 59 11.531 9.742 -4.288 1.00 0.00 C ATOM 997 CE LYS A 59 10.771 11.064 -4.160 1.00 0.00 C ATOM 998 NZ LYS A 59 11.344 11.889 -3.073 1.00 0.00 N ATOM 0 H LYS A 59 10.883 6.166 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 59 10.266 7.251 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.991 7.800 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.810 7.858 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.097 10.005 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.555 9.202 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.054 8.983 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.548 9.865 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.818 11.610 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.718 10.867 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.816 12.782 -3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.277 11.373 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.342 12.093 -3.281 1.00 0.00 H new ATOM 1012 N SER A 60 11.334 6.530 -8.188 1.00 0.00 N ATOM 1013 CA SER A 60 11.336 5.814 -9.453 1.00 0.00 C ATOM 1014 C SER A 60 12.426 4.740 -9.444 1.00 0.00 C ATOM 1015 O SER A 60 13.614 5.056 -9.439 1.00 0.00 O ATOM 1016 CB SER A 60 11.544 6.771 -10.628 1.00 0.00 C ATOM 1017 OG SER A 60 10.413 6.808 -11.493 1.00 0.00 O ATOM 0 H SER A 60 11.417 7.543 -8.271 1.00 0.00 H new ATOM 0 HA SER A 60 10.364 5.336 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.743 7.773 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.423 6.464 -11.194 1.00 0.00 H new ATOM 0 HG SER A 60 10.585 7.432 -12.229 1.00 0.00 H new ATOM 1023 N SER A 61 11.981 3.491 -9.442 1.00 0.00 N ATOM 1024 CA SER A 61 12.904 2.369 -9.434 1.00 0.00 C ATOM 1025 C SER A 61 12.137 1.060 -9.630 1.00 0.00 C ATOM 1026 O SER A 61 11.086 1.041 -10.270 1.00 0.00 O ATOM 1027 CB SER A 61 13.706 2.324 -8.132 1.00 0.00 C ATOM 1028 OG SER A 61 13.858 3.618 -7.554 1.00 0.00 O ATOM 0 H SER A 61 10.994 3.232 -9.446 1.00 0.00 H new ATOM 0 HA SER A 61 13.607 2.498 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.207 1.666 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.689 1.896 -8.326 1.00 0.00 H new ATOM 0 HG SER A 61 13.319 3.677 -6.737 1.00 0.00 H new ATOM 1034 N TRP A 62 12.691 -0.004 -9.067 1.00 0.00 N ATOM 1035 CA TRP A 62 12.072 -1.314 -9.171 1.00 0.00 C ATOM 1036 C TRP A 62 10.710 -1.251 -8.477 1.00 0.00 C ATOM 1037 O TRP A 62 10.342 -0.219 -7.917 1.00 0.00 O ATOM 1038 CB TRP A 62 12.985 -2.400 -8.598 1.00 0.00 C ATOM 1039 CG TRP A 62 14.362 -2.469 -9.261 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.494 -1.861 -8.879 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.709 -3.215 -10.447 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.540 -2.160 -9.727 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.048 -3.010 -10.711 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.918 -4.037 -11.268 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.713 -3.591 -11.797 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.597 -4.611 -12.350 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.945 -4.414 -12.629 1.00 0.00 C ATOM 0 H TRP A 62 13.562 0.015 -8.537 1.00 0.00 H new ATOM 0 HA TRP A 62 11.918 -1.585 -10.216 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.116 -2.224 -7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.493 -3.367 -8.704 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.577 -1.218 -8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.498 -1.820 -9.647 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.869 -4.212 -11.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.762 -3.414 -11.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.035 -5.251 -13.014 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.398 -4.894 -13.484 1.00 0.00 H new ATOM 1058 N THR A 63 9.999 -2.367 -8.535 1.00 0.00 N ATOM 1059 CA THR A 63 8.686 -2.452 -7.918 1.00 0.00 C ATOM 1060 C THR A 63 8.632 -3.623 -6.936 1.00 0.00 C ATOM 1061 O THR A 63 9.665 -4.068 -6.437 1.00 0.00 O ATOM 1062 CB THR A 63 7.645 -2.546 -9.035 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.732 -3.898 -9.477 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.031 -1.725 -10.267 1.00 0.00 C ATOM 0 H THR A 63 10.307 -3.221 -9.000 1.00 0.00 H new ATOM 0 HA THR A 63 8.469 -1.563 -7.325 1.00 0.00 H new ATOM 0 HB THR A 63 6.680 -2.205 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.987 -4.092 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.258 -1.827 -11.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.130 -0.676 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.980 -2.087 -10.662 1.00 0.00 H new ATOM 1072 N GLU A 64 7.418 -4.091 -6.688 1.00 0.00 N ATOM 1073 CA GLU A 64 7.216 -5.202 -5.774 1.00 0.00 C ATOM 1074 C GLU A 64 7.469 -6.531 -6.490 1.00 0.00 C ATOM 1075 O GLU A 64 8.551 -7.105 -6.376 1.00 0.00 O ATOM 1076 CB GLU A 64 5.811 -5.166 -5.168 1.00 0.00 C ATOM 1077 CG GLU A 64 5.801 -4.377 -3.857 1.00 0.00 C ATOM 1078 CD GLU A 64 4.880 -5.037 -2.828 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.143 -6.216 -2.504 1.00 0.00 O ATOM 1080 OE2 GLU A 64 3.934 -4.348 -2.389 1.00 0.00 O ATOM 0 H GLU A 64 6.564 -3.721 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 64 7.931 -5.109 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.117 -4.712 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.462 -6.183 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.813 -4.315 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.470 -3.356 -4.045 1.00 0.00 H new ATOM 1087 N GLU A 65 6.454 -6.980 -7.213 1.00 0.00 N ATOM 1088 CA GLU A 65 6.553 -8.230 -7.947 1.00 0.00 C ATOM 1089 C GLU A 65 7.901 -8.318 -8.666 1.00 0.00 C ATOM 1090 O GLU A 65 8.450 -9.406 -8.832 1.00 0.00 O ATOM 1091 CB GLU A 65 5.394 -8.379 -8.935 1.00 0.00 C ATOM 1092 CG GLU A 65 4.909 -7.012 -9.422 1.00 0.00 C ATOM 1093 CD GLU A 65 4.584 -7.046 -10.917 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.739 -7.886 -11.295 1.00 0.00 O ATOM 1095 OE2 GLU A 65 5.188 -6.231 -11.648 1.00 0.00 O ATOM 0 H GLU A 65 5.559 -6.500 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 65 6.488 -9.053 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.712 -8.980 -9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.571 -8.912 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.023 -6.715 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.675 -6.261 -9.230 1.00 0.00 H new ATOM 1102 N GLU A 66 8.395 -7.158 -9.073 1.00 0.00 N ATOM 1103 CA GLU A 66 9.668 -7.090 -9.770 1.00 0.00 C ATOM 1104 C GLU A 66 10.806 -7.508 -8.838 1.00 0.00 C ATOM 1105 O GLU A 66 11.714 -8.231 -9.245 1.00 0.00 O ATOM 1106 CB GLU A 66 9.909 -5.689 -10.336 1.00 0.00 C ATOM 1107 CG GLU A 66 9.085 -5.461 -11.605 1.00 0.00 C ATOM 1108 CD GLU A 66 9.988 -5.105 -12.788 1.00 0.00 C ATOM 1109 OE1 GLU A 66 11.101 -5.671 -12.843 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.544 -4.275 -13.611 1.00 0.00 O ATOM 0 H GLU A 66 7.937 -6.258 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 66 9.638 -7.785 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.646 -4.941 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.968 -5.560 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.512 -6.359 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.366 -4.659 -11.437 1.00 0.00 H new ATOM 1117 N ASP A 67 10.722 -7.034 -7.603 1.00 0.00 N ATOM 1118 CA ASP A 67 11.734 -7.350 -6.609 1.00 0.00 C ATOM 1119 C ASP A 67 11.606 -8.820 -6.207 1.00 0.00 C ATOM 1120 O ASP A 67 12.596 -9.551 -6.189 1.00 0.00 O ATOM 1121 CB ASP A 67 11.554 -6.498 -5.351 1.00 0.00 C ATOM 1122 CG ASP A 67 12.853 -6.114 -4.640 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.541 -5.211 -5.163 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.129 -6.731 -3.588 1.00 0.00 O ATOM 0 H ASP A 67 9.969 -6.433 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 67 12.712 -7.146 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.022 -5.586 -5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.920 -7.041 -4.650 1.00 0.00 H new ATOM 1129 N ARG A 68 10.379 -9.211 -5.895 1.00 0.00 N ATOM 1130 CA ARG A 68 10.109 -10.581 -5.494 1.00 0.00 C ATOM 1131 C ARG A 68 10.528 -11.550 -6.601 1.00 0.00 C ATOM 1132 O ARG A 68 11.415 -12.379 -6.403 1.00 0.00 O ATOM 1133 CB ARG A 68 8.625 -10.783 -5.184 1.00 0.00 C ATOM 1134 CG ARG A 68 8.157 -9.819 -4.092 1.00 0.00 C ATOM 1135 CD ARG A 68 8.208 -10.484 -2.715 1.00 0.00 C ATOM 1136 NE ARG A 68 9.602 -10.515 -2.219 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.970 -11.042 -1.043 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.049 -11.586 -0.236 1.00 0.00 N ATOM 1139 NH2 ARG A 68 11.258 -11.026 -0.675 1.00 0.00 N ATOM 0 H ARG A 68 9.561 -8.603 -5.912 1.00 0.00 H new ATOM 0 HA ARG A 68 10.687 -10.782 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.036 -10.627 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.453 -11.811 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.786 -8.929 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.140 -9.490 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.576 -9.938 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.813 -11.498 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 68 10.328 -10.110 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.069 -11.599 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.328 -11.987 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.959 -10.613 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.538 -11.427 0.220 1.00 0.00 H new ATOM 1153 N ILE A 69 9.869 -11.415 -7.743 1.00 0.00 N ATOM 1154 CA ILE A 69 10.162 -12.268 -8.882 1.00 0.00 C ATOM 1155 C ILE A 69 11.672 -12.502 -8.963 1.00 0.00 C ATOM 1156 O ILE A 69 12.148 -13.604 -8.696 1.00 0.00 O ATOM 1157 CB ILE A 69 9.561 -11.680 -10.160 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.041 -11.852 -10.181 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.223 -12.279 -11.403 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.446 -11.312 -11.483 1.00 0.00 C ATOM 0 H ILE A 69 9.133 -10.727 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 69 9.694 -13.245 -8.757 1.00 0.00 H new ATOM 0 HB ILE A 69 9.764 -10.609 -10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.789 -12.907 -10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.601 -11.330 -9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.778 -11.844 -12.298 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.291 -12.062 -11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.073 -13.359 -11.411 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.364 -11.447 -11.472 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.679 -10.251 -11.577 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.870 -11.853 -12.329 1.00 0.00 H new ATOM 1172 N ILE A 70 12.383 -11.447 -9.334 1.00 0.00 N ATOM 1173 CA ILE A 70 13.829 -11.524 -9.454 1.00 0.00 C ATOM 1174 C ILE A 70 14.396 -12.291 -8.258 1.00 0.00 C ATOM 1175 O ILE A 70 15.109 -13.279 -8.430 1.00 0.00 O ATOM 1176 CB ILE A 70 14.427 -10.127 -9.628 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.828 -9.422 -10.847 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.955 -10.189 -9.696 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.384 -8.004 -10.988 1.00 0.00 C ATOM 0 H ILE A 70 11.985 -10.535 -9.555 1.00 0.00 H new ATOM 0 HA ILE A 70 14.108 -12.079 -10.350 1.00 0.00 H new ATOM 0 HB ILE A 70 14.167 -9.533 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.049 -9.994 -11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.743 -9.383 -10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.355 -9.183 -9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.343 -10.623 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.257 -10.806 -10.542 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.942 -7.525 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.140 -7.427 -10.096 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.467 -8.048 -11.107 1.00 0.00 H new ATOM 1191 N PHE A 71 14.057 -11.807 -7.071 1.00 0.00 N ATOM 1192 CA PHE A 71 14.524 -12.435 -5.847 1.00 0.00 C ATOM 1193 C PHE A 71 14.260 -13.942 -5.868 1.00 0.00 C ATOM 1194 O PHE A 71 15.087 -14.727 -5.405 1.00 0.00 O ATOM 1195 CB PHE A 71 13.736 -11.808 -4.695 1.00 0.00 C ATOM 1196 CG PHE A 71 13.415 -12.780 -3.558 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.371 -13.636 -3.105 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.175 -12.790 -3.000 1.00 0.00 C ATOM 1199 CE1 PHE A 71 14.074 -14.538 -2.050 1.00 0.00 C ATOM 1200 CE2 PHE A 71 11.878 -13.692 -1.945 1.00 0.00 C ATOM 1201 CZ PHE A 71 12.833 -14.547 -1.492 1.00 0.00 C ATOM 0 H PHE A 71 13.465 -10.988 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 71 15.598 -12.283 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.305 -10.970 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.803 -11.401 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.356 -13.629 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.416 -12.111 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.833 -15.217 -1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.893 -13.699 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.607 -15.233 -0.689 1.00 0.00 H new ATOM 1211 N GLU A 72 13.106 -14.301 -6.410 1.00 0.00 N ATOM 1212 CA GLU A 72 12.724 -15.700 -6.498 1.00 0.00 C ATOM 1213 C GLU A 72 13.036 -16.249 -7.892 1.00 0.00 C ATOM 1214 O GLU A 72 12.591 -17.339 -8.247 1.00 0.00 O ATOM 1215 CB GLU A 72 11.245 -15.887 -6.154 1.00 0.00 C ATOM 1216 CG GLU A 72 10.349 -15.253 -7.221 1.00 0.00 C ATOM 1217 CD GLU A 72 8.930 -15.820 -7.153 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.755 -16.969 -7.613 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.052 -15.092 -6.641 1.00 0.00 O ATOM 0 H GLU A 72 12.423 -13.647 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 72 13.307 -16.262 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.019 -16.950 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.034 -15.438 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.320 -14.172 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.770 -15.435 -8.210 1.00 0.00 H new ATOM 1226 N ALA A 73 13.799 -15.469 -8.643 1.00 0.00 N ATOM 1227 CA ALA A 73 14.176 -15.863 -9.989 1.00 0.00 C ATOM 1228 C ALA A 73 15.676 -16.166 -10.027 1.00 0.00 C ATOM 1229 O ALA A 73 16.145 -16.891 -10.903 1.00 0.00 O ATOM 1230 CB ALA A 73 13.779 -14.762 -10.974 1.00 0.00 C ATOM 0 H ALA A 73 14.166 -14.566 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 73 13.649 -16.770 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.062 -15.058 -11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.701 -14.606 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.291 -13.836 -10.710 1.00 0.00 H new ATOM 1236 N HIS A 74 16.386 -15.594 -9.065 1.00 0.00 N ATOM 1237 CA HIS A 74 17.823 -15.793 -8.977 1.00 0.00 C ATOM 1238 C HIS A 74 18.114 -17.190 -8.424 1.00 0.00 C ATOM 1239 O HIS A 74 19.238 -17.680 -8.527 1.00 0.00 O ATOM 1240 CB HIS A 74 18.476 -14.681 -8.154 1.00 0.00 C ATOM 1241 CG HIS A 74 19.927 -14.438 -8.493 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.968 -14.893 -7.703 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.499 -13.783 -9.544 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.111 -14.523 -8.263 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.817 -13.835 -9.403 1.00 0.00 N ATOM 0 H HIS A 74 15.993 -14.993 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 74 18.264 -15.735 -9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.919 -13.756 -8.304 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.398 -14.932 -7.096 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.969 -13.303 -10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.101 -14.730 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.499 -13.427 -10.043 1.00 0.00 H new ATOM 1253 N LYS A 75 17.083 -17.791 -7.849 1.00 0.00 N ATOM 1254 CA LYS A 75 17.214 -19.121 -7.279 1.00 0.00 C ATOM 1255 C LYS A 75 16.651 -20.150 -8.262 1.00 0.00 C ATOM 1256 O LYS A 75 16.464 -21.313 -7.909 1.00 0.00 O ATOM 1257 CB LYS A 75 16.568 -19.177 -5.893 1.00 0.00 C ATOM 1258 CG LYS A 75 15.048 -19.312 -6.002 1.00 0.00 C ATOM 1259 CD LYS A 75 14.372 -18.989 -4.668 1.00 0.00 C ATOM 1260 CE LYS A 75 13.313 -20.037 -4.321 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.966 -19.560 -4.708 1.00 0.00 N ATOM 0 H LYS A 75 16.153 -17.381 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 75 18.265 -19.367 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.972 -20.020 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.818 -18.275 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.674 -18.641 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.790 -20.326 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.121 -18.948 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.910 -18.003 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.536 -20.972 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.338 -20.247 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.259 -20.283 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.750 -18.680 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.942 -19.382 -5.732 1.00 0.00 H new ATOM 1275 N VAL A 76 16.396 -19.684 -9.476 1.00 0.00 N ATOM 1276 CA VAL A 76 15.858 -20.549 -10.512 1.00 0.00 C ATOM 1277 C VAL A 76 16.909 -20.740 -11.607 1.00 0.00 C ATOM 1278 O VAL A 76 16.927 -21.768 -12.282 1.00 0.00 O ATOM 1279 CB VAL A 76 14.541 -19.976 -11.040 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.634 -21.087 -11.571 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.830 -19.154 -9.963 1.00 0.00 C ATOM 0 H VAL A 76 16.552 -18.718 -9.765 1.00 0.00 H new ATOM 0 HA VAL A 76 15.629 -21.534 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 76 14.774 -19.309 -11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.705 -20.653 -11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.138 -21.611 -12.383 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.412 -21.790 -10.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.897 -18.758 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.615 -19.789 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.471 -18.328 -9.653 1.00 0.00 H new ATOM 1291 N LEU A 77 17.758 -19.733 -11.750 1.00 0.00 N ATOM 1292 CA LEU A 77 18.810 -19.778 -12.752 1.00 0.00 C ATOM 1293 C LEU A 77 20.133 -19.349 -12.115 1.00 0.00 C ATOM 1294 O LEU A 77 21.037 -20.165 -11.942 1.00 0.00 O ATOM 1295 CB LEU A 77 18.418 -18.948 -13.976 1.00 0.00 C ATOM 1296 CG LEU A 77 16.921 -18.862 -14.277 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.375 -17.470 -13.953 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.628 -19.270 -15.723 1.00 0.00 C ATOM 0 H LEU A 77 17.739 -18.881 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 77 18.947 -20.796 -13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.800 -17.936 -13.841 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.920 -19.365 -14.849 1.00 0.00 H new ATOM 0 HG LEU A 77 16.402 -19.570 -13.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.309 -17.436 -14.176 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.531 -17.255 -12.896 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.895 -16.726 -14.556 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.557 -19.200 -15.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.160 -18.605 -16.404 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.959 -20.296 -15.886 1.00 0.00 H new ATOM 1310 N GLY A 78 20.206 -18.068 -11.784 1.00 0.00 N ATOM 1311 CA GLY A 78 21.404 -17.520 -11.171 1.00 0.00 C ATOM 1312 C GLY A 78 21.619 -16.065 -11.592 1.00 0.00 C ATOM 1313 O GLY A 78 20.748 -15.221 -11.390 1.00 0.00 O ATOM 0 H GLY A 78 19.455 -17.394 -11.929 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.321 -17.580 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.269 -18.117 -11.458 1.00 0.00 H new ATOM 1317 N ASN A 79 22.785 -15.817 -12.171 1.00 0.00 N ATOM 1318 CA ASN A 79 23.127 -14.478 -12.622 1.00 0.00 C ATOM 1319 C ASN A 79 22.638 -14.290 -14.060 1.00 0.00 C ATOM 1320 O ASN A 79 23.108 -13.400 -14.767 1.00 0.00 O ATOM 1321 CB ASN A 79 24.641 -14.261 -12.605 1.00 0.00 C ATOM 1322 CG ASN A 79 25.382 -15.580 -12.381 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.219 -16.546 -13.109 1.00 0.00 O ATOM 1324 ND2 ASN A 79 26.203 -15.568 -11.335 1.00 0.00 N ATOM 0 H ASN A 79 23.505 -16.520 -12.338 1.00 0.00 H new ATOM 0 HA ASN A 79 22.653 -13.763 -11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.959 -13.817 -13.548 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.902 -13.555 -11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.743 -16.401 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.293 -14.726 -10.767 1.00 0.00 H new ATOM 1331 N ARG A 80 21.701 -15.142 -14.449 1.00 0.00 N ATOM 1332 CA ARG A 80 21.144 -15.081 -15.790 1.00 0.00 C ATOM 1333 C ARG A 80 20.229 -13.863 -15.928 1.00 0.00 C ATOM 1334 O ARG A 80 19.078 -13.991 -16.345 1.00 0.00 O ATOM 1335 CB ARG A 80 20.349 -16.347 -16.114 1.00 0.00 C ATOM 1336 CG ARG A 80 20.735 -16.900 -17.488 1.00 0.00 C ATOM 1337 CD ARG A 80 19.532 -17.550 -18.175 1.00 0.00 C ATOM 1338 NE ARG A 80 19.969 -18.736 -18.945 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.621 -18.674 -20.113 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.916 -17.484 -20.654 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.979 -19.803 -20.741 1.00 0.00 N ATOM 0 H ARG A 80 21.313 -15.878 -13.859 1.00 0.00 H new ATOM 0 HA ARG A 80 21.974 -14.998 -16.491 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.533 -17.102 -15.349 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.282 -16.126 -16.094 1.00 0.00 H new ATOM 0 HG2 ARG A 80 21.124 -16.095 -18.112 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.535 -17.632 -17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.792 -17.842 -17.430 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.050 -16.832 -18.839 1.00 0.00 H new ATOM 0 HE ARG A 80 19.761 -19.658 -18.562 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.644 -16.625 -20.176 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.413 -17.437 -21.544 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.755 -20.709 -20.329 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.476 -19.756 -21.631 1.00 0.00 H new ATOM 1355 N TRP A 81 20.774 -12.709 -15.572 1.00 0.00 N ATOM 1356 CA TRP A 81 20.020 -11.469 -15.652 1.00 0.00 C ATOM 1357 C TRP A 81 19.350 -11.411 -17.026 1.00 0.00 C ATOM 1358 O TRP A 81 18.224 -10.933 -17.151 1.00 0.00 O ATOM 1359 CB TRP A 81 20.919 -10.263 -15.373 1.00 0.00 C ATOM 1360 CG TRP A 81 21.987 -10.515 -14.306 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.318 -10.526 -14.458 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.757 -10.795 -12.909 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.961 -10.791 -13.266 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.982 -10.960 -12.294 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.555 -10.905 -12.189 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.122 -11.244 -10.931 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.713 -11.190 -10.827 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.938 -11.358 -10.193 1.00 0.00 C ATOM 0 H TRP A 81 21.729 -12.606 -15.227 1.00 0.00 H new ATOM 0 HA TRP A 81 19.245 -11.438 -14.886 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.409 -9.966 -16.300 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.297 -9.425 -15.059 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.824 -10.350 -15.396 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.969 -10.852 -13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.586 -10.780 -12.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 24.092 -11.369 -10.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.820 -11.286 -10.227 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.976 -11.576 -9.136 1.00 0.00 H new ATOM 1379 N ALA A 82 20.072 -11.903 -18.022 1.00 0.00 N ATOM 1380 CA ALA A 82 19.562 -11.913 -19.382 1.00 0.00 C ATOM 1381 C ALA A 82 18.161 -12.528 -19.393 1.00 0.00 C ATOM 1382 O ALA A 82 17.348 -12.215 -20.261 1.00 0.00 O ATOM 1383 CB ALA A 82 20.537 -12.667 -20.288 1.00 0.00 C ATOM 0 H ALA A 82 21.006 -12.298 -17.914 1.00 0.00 H new ATOM 0 HA ALA A 82 19.479 -10.897 -19.767 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.154 -12.674 -21.308 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.508 -12.173 -20.269 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.645 -13.692 -19.933 1.00 0.00 H new ATOM 1389 N GLU A 83 17.922 -13.393 -18.418 1.00 0.00 N ATOM 1390 CA GLU A 83 16.634 -14.055 -18.303 1.00 0.00 C ATOM 1391 C GLU A 83 15.870 -13.525 -17.088 1.00 0.00 C ATOM 1392 O GLU A 83 14.675 -13.247 -17.174 1.00 0.00 O ATOM 1393 CB GLU A 83 16.803 -15.573 -18.225 1.00 0.00 C ATOM 1394 CG GLU A 83 16.759 -16.203 -19.619 1.00 0.00 C ATOM 1395 CD GLU A 83 15.317 -16.355 -20.106 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.748 -15.325 -20.527 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.816 -17.499 -20.048 1.00 0.00 O ATOM 0 H GLU A 83 18.599 -13.651 -17.700 1.00 0.00 H new ATOM 0 HA GLU A 83 16.053 -13.833 -19.198 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.751 -15.812 -17.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.014 -15.999 -17.605 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.320 -15.584 -20.320 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.244 -17.179 -19.597 1.00 0.00 H new ATOM 1404 N ILE A 84 16.592 -13.399 -15.984 1.00 0.00 N ATOM 1405 CA ILE A 84 15.998 -12.907 -14.753 1.00 0.00 C ATOM 1406 C ILE A 84 15.128 -11.687 -15.064 1.00 0.00 C ATOM 1407 O ILE A 84 14.054 -11.522 -14.487 1.00 0.00 O ATOM 1408 CB ILE A 84 17.080 -12.640 -13.705 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.932 -13.586 -12.512 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.077 -11.172 -13.276 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.870 -14.788 -12.646 1.00 0.00 C ATOM 0 H ILE A 84 17.583 -13.629 -15.917 1.00 0.00 H new ATOM 0 HA ILE A 84 15.344 -13.662 -14.317 1.00 0.00 H new ATOM 0 HB ILE A 84 18.051 -12.841 -14.157 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.152 -13.050 -11.589 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.900 -13.931 -12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.855 -11.009 -12.531 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.267 -10.539 -14.143 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.107 -10.920 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.745 -15.445 -11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.632 -15.336 -13.558 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.902 -14.441 -12.691 1.00 0.00 H new ATOM 1423 N ALA A 85 15.625 -10.863 -15.976 1.00 0.00 N ATOM 1424 CA ALA A 85 14.906 -9.663 -16.370 1.00 0.00 C ATOM 1425 C ALA A 85 13.735 -10.050 -17.275 1.00 0.00 C ATOM 1426 O ALA A 85 12.656 -9.466 -17.183 1.00 0.00 O ATOM 1427 CB ALA A 85 15.872 -8.691 -17.050 1.00 0.00 C ATOM 0 H ALA A 85 16.516 -11.003 -16.453 1.00 0.00 H new ATOM 0 HA ALA A 85 14.494 -9.157 -15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.334 -7.791 -17.346 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.670 -8.425 -16.356 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.302 -9.163 -17.933 1.00 0.00 H new ATOM 1433 N LYS A 86 13.987 -11.031 -18.129 1.00 0.00 N ATOM 1434 CA LYS A 86 12.966 -11.503 -19.049 1.00 0.00 C ATOM 1435 C LYS A 86 11.796 -12.085 -18.253 1.00 0.00 C ATOM 1436 O LYS A 86 11.632 -13.302 -18.185 1.00 0.00 O ATOM 1437 CB LYS A 86 13.568 -12.479 -20.062 1.00 0.00 C ATOM 1438 CG LYS A 86 14.306 -11.731 -21.174 1.00 0.00 C ATOM 1439 CD LYS A 86 14.387 -12.579 -22.445 1.00 0.00 C ATOM 1440 CE LYS A 86 15.482 -12.062 -23.380 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.950 -13.142 -24.277 1.00 0.00 N ATOM 0 H LYS A 86 14.883 -11.512 -18.203 1.00 0.00 H new ATOM 0 HA LYS A 86 12.570 -10.674 -19.636 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.256 -13.156 -19.555 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.778 -13.093 -20.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.792 -10.794 -21.390 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.311 -11.474 -20.839 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.589 -13.617 -22.182 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.426 -12.562 -22.960 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.100 -11.230 -23.971 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.318 -11.680 -22.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.693 -12.774 -24.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.333 -13.924 -23.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.153 -13.488 -24.849 1.00 0.00 H new ATOM 1455 N LEU A 87 11.013 -11.188 -17.672 1.00 0.00 N ATOM 1456 CA LEU A 87 9.864 -11.597 -16.883 1.00 0.00 C ATOM 1457 C LEU A 87 8.850 -10.452 -16.835 1.00 0.00 C ATOM 1458 O LEU A 87 7.649 -10.675 -16.980 1.00 0.00 O ATOM 1459 CB LEU A 87 10.307 -12.085 -15.503 1.00 0.00 C ATOM 1460 CG LEU A 87 10.463 -13.599 -15.344 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.379 -13.935 -14.166 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.099 -14.281 -15.222 1.00 0.00 C ATOM 0 H LEU A 87 11.152 -10.179 -17.732 1.00 0.00 H new ATOM 0 HA LEU A 87 9.365 -12.446 -17.350 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.260 -11.614 -15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.584 -11.735 -14.767 1.00 0.00 H new ATOM 0 HG LEU A 87 10.939 -13.990 -16.244 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.473 -15.017 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.363 -13.498 -14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.954 -13.529 -13.248 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.239 -15.356 -15.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.574 -13.891 -14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.512 -14.083 -16.119 1.00 0.00 H new ATOM 1474 N LEU A 88 9.371 -9.251 -16.630 1.00 0.00 N ATOM 1475 CA LEU A 88 8.527 -8.071 -16.561 1.00 0.00 C ATOM 1476 C LEU A 88 9.009 -7.043 -17.587 1.00 0.00 C ATOM 1477 O LEU A 88 10.193 -6.997 -17.915 1.00 0.00 O ATOM 1478 CB LEU A 88 8.475 -7.533 -15.130 1.00 0.00 C ATOM 1479 CG LEU A 88 8.545 -8.580 -14.016 1.00 0.00 C ATOM 1480 CD1 LEU A 88 9.971 -8.717 -13.481 1.00 0.00 C ATOM 1481 CD2 LEU A 88 7.543 -8.266 -12.904 1.00 0.00 C ATOM 0 H LEU A 88 10.368 -9.070 -16.509 1.00 0.00 H new ATOM 0 HA LEU A 88 7.499 -8.323 -16.820 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.300 -6.833 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.553 -6.965 -15.010 1.00 0.00 H new ATOM 0 HG LEU A 88 8.265 -9.546 -14.437 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.993 -9.467 -12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.635 -9.023 -14.289 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.303 -7.759 -13.081 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.614 -9.025 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.767 -7.288 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.533 -8.261 -13.315 1.00 0.00 H new ATOM 1493 N PRO A 89 8.041 -6.223 -18.077 1.00 0.00 N ATOM 1494 CA PRO A 89 8.355 -5.199 -19.059 1.00 0.00 C ATOM 1495 C PRO A 89 9.075 -4.017 -18.408 1.00 0.00 C ATOM 1496 O PRO A 89 8.434 -3.122 -17.858 1.00 0.00 O ATOM 1497 CB PRO A 89 7.016 -4.816 -19.670 1.00 0.00 C ATOM 1498 CG PRO A 89 5.958 -5.298 -18.690 1.00 0.00 C ATOM 1499 CD PRO A 89 6.628 -6.249 -17.712 1.00 0.00 C ATOM 0 HA PRO A 89 9.043 -5.551 -19.828 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.949 -3.738 -19.819 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.885 -5.282 -20.647 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.516 -4.454 -18.160 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.149 -5.802 -19.219 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.479 -5.926 -16.681 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.217 -7.255 -17.793 1.00 0.00 H new ATOM 1507 N GLY A 90 10.397 -4.052 -18.490 1.00 0.00 N ATOM 1508 CA GLY A 90 11.210 -2.994 -17.916 1.00 0.00 C ATOM 1509 C GLY A 90 12.477 -3.564 -17.274 1.00 0.00 C ATOM 1510 O GLY A 90 12.442 -4.634 -16.667 1.00 0.00 O ATOM 0 H GLY A 90 10.925 -4.797 -18.945 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.481 -2.278 -18.691 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.632 -2.451 -17.168 1.00 0.00 H new ATOM 1514 N ARG A 91 13.565 -2.825 -17.430 1.00 0.00 N ATOM 1515 CA ARG A 91 14.840 -3.243 -16.873 1.00 0.00 C ATOM 1516 C ARG A 91 15.343 -4.501 -17.585 1.00 0.00 C ATOM 1517 O ARG A 91 14.638 -5.506 -17.650 1.00 0.00 O ATOM 1518 CB ARG A 91 14.720 -3.528 -15.375 1.00 0.00 C ATOM 1519 CG ARG A 91 14.122 -2.330 -14.635 1.00 0.00 C ATOM 1520 CD ARG A 91 15.100 -1.153 -14.615 1.00 0.00 C ATOM 1521 NE ARG A 91 14.399 0.081 -14.198 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.730 0.885 -15.036 1.00 0.00 C ATOM 1523 NH1 ARG A 91 13.668 0.590 -16.341 1.00 0.00 N ATOM 1524 NH2 ARG A 91 13.124 1.985 -14.568 1.00 0.00 N ATOM 0 H ARG A 91 13.590 -1.939 -17.934 1.00 0.00 H new ATOM 0 HA ARG A 91 15.549 -2.429 -17.021 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.094 -4.407 -15.217 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.703 -3.759 -14.965 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.193 -2.027 -15.118 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.872 -2.617 -13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.921 -1.364 -13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.537 -1.016 -15.604 1.00 0.00 H new ATOM 0 HE ARG A 91 14.426 0.336 -13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.130 -0.247 -16.697 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.159 1.202 -16.979 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.172 2.210 -13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.615 2.597 -15.206 1.00 0.00 H new ATOM 1538 N THR A 92 16.560 -4.403 -18.102 1.00 0.00 N ATOM 1539 CA THR A 92 17.165 -5.520 -18.807 1.00 0.00 C ATOM 1540 C THR A 92 17.998 -6.370 -17.845 1.00 0.00 C ATOM 1541 O THR A 92 17.592 -6.604 -16.708 1.00 0.00 O ATOM 1542 CB THR A 92 17.975 -4.958 -19.977 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.996 -4.184 -19.353 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.184 -3.938 -20.799 1.00 0.00 C ATOM 0 H THR A 92 17.143 -3.568 -18.046 1.00 0.00 H new ATOM 0 HA THR A 92 16.406 -6.190 -19.210 1.00 0.00 H new ATOM 0 HB THR A 92 18.295 -5.776 -20.623 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.569 -3.784 -20.040 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.804 -3.570 -21.617 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.291 -4.413 -21.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.893 -3.104 -20.161 1.00 0.00 H new ATOM 1552 N ASP A 93 19.148 -6.807 -18.336 1.00 0.00 N ATOM 1553 CA ASP A 93 20.041 -7.626 -17.534 1.00 0.00 C ATOM 1554 C ASP A 93 20.944 -6.718 -16.697 1.00 0.00 C ATOM 1555 O ASP A 93 21.095 -6.926 -15.494 1.00 0.00 O ATOM 1556 CB ASP A 93 20.936 -8.495 -18.420 1.00 0.00 C ATOM 1557 CG ASP A 93 21.383 -7.839 -19.729 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.483 -7.469 -20.514 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.614 -7.723 -19.914 1.00 0.00 O ATOM 0 H ASP A 93 19.482 -6.609 -19.279 1.00 0.00 H new ATOM 0 HA ASP A 93 19.431 -8.267 -16.898 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.822 -8.776 -17.851 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.403 -9.416 -18.656 1.00 0.00 H new ATOM 1564 N ASN A 94 21.520 -5.730 -17.366 1.00 0.00 N ATOM 1565 CA ASN A 94 22.404 -4.790 -16.698 1.00 0.00 C ATOM 1566 C ASN A 94 21.624 -4.048 -15.610 1.00 0.00 C ATOM 1567 O ASN A 94 22.217 -3.402 -14.747 1.00 0.00 O ATOM 1568 CB ASN A 94 22.947 -3.751 -17.681 1.00 0.00 C ATOM 1569 CG ASN A 94 24.379 -4.089 -18.100 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.185 -4.382 -17.084 1.00 0.00 O flip ATOM 1571 ND2 ASN A 94 24.729 -4.084 -19.269 1.00 0.00 N flip ATOM 0 H ASN A 94 21.392 -5.560 -18.364 1.00 0.00 H new ATOM 0 HA ASN A 94 23.235 -5.353 -16.272 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.307 -3.709 -18.562 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.922 -2.763 -17.222 1.00 0.00 H new ATOM 0 HD21 ASN A 94 24.059 -3.850 -20.001 1.00 0.00 H new ATOM 0 HD22 ASN A 94 25.692 -4.314 -19.514 1.00 0.00 H new ATOM 1578 N ALA A 95 20.306 -4.166 -15.687 1.00 0.00 N ATOM 1579 CA ALA A 95 19.439 -3.515 -14.719 1.00 0.00 C ATOM 1580 C ALA A 95 19.349 -4.379 -13.460 1.00 0.00 C ATOM 1581 O ALA A 95 19.867 -4.005 -12.408 1.00 0.00 O ATOM 1582 CB ALA A 95 18.070 -3.261 -15.351 1.00 0.00 C ATOM 0 H ALA A 95 19.818 -4.702 -16.404 1.00 0.00 H new ATOM 0 HA ALA A 95 19.848 -2.548 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.419 -2.773 -14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.186 -2.619 -16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.628 -4.210 -15.654 1.00 0.00 H new ATOM 1588 N VAL A 96 18.688 -5.518 -13.608 1.00 0.00 N ATOM 1589 CA VAL A 96 18.523 -6.437 -12.495 1.00 0.00 C ATOM 1590 C VAL A 96 19.896 -6.775 -11.910 1.00 0.00 C ATOM 1591 O VAL A 96 20.101 -6.676 -10.701 1.00 0.00 O ATOM 1592 CB VAL A 96 17.747 -7.675 -12.950 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.595 -8.678 -11.804 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.382 -7.286 -13.523 1.00 0.00 C ATOM 0 H VAL A 96 18.261 -5.825 -14.482 1.00 0.00 H new ATOM 0 HA VAL A 96 17.936 -5.974 -11.702 1.00 0.00 H new ATOM 0 HB VAL A 96 18.319 -8.157 -13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.040 -9.549 -12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.581 -8.990 -11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.055 -8.210 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.851 -8.184 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.800 -6.770 -12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.522 -6.627 -14.380 1.00 0.00 H new ATOM 1604 N LYS A 97 20.801 -7.165 -12.795 1.00 0.00 N ATOM 1605 CA LYS A 97 22.149 -7.517 -12.382 1.00 0.00 C ATOM 1606 C LYS A 97 22.604 -6.563 -11.276 1.00 0.00 C ATOM 1607 O LYS A 97 22.839 -6.985 -10.145 1.00 0.00 O ATOM 1608 CB LYS A 97 23.088 -7.552 -13.589 1.00 0.00 C ATOM 1609 CG LYS A 97 24.526 -7.844 -13.157 1.00 0.00 C ATOM 1610 CD LYS A 97 25.426 -8.080 -14.372 1.00 0.00 C ATOM 1611 CE LYS A 97 25.760 -6.761 -15.071 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.190 -6.424 -14.887 1.00 0.00 N ATOM 0 H LYS A 97 20.627 -7.245 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 97 22.169 -8.523 -11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.754 -8.315 -14.292 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.049 -6.597 -14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.911 -7.009 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.544 -8.721 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.346 -8.572 -14.057 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.929 -8.751 -15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.532 -6.838 -16.134 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.137 -5.962 -14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.400 -5.526 -15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.397 -6.330 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.779 -7.179 -15.292 1.00 0.00 H new ATOM 1626 N ASN A 98 22.715 -5.294 -11.642 1.00 0.00 N ATOM 1627 CA ASN A 98 23.138 -4.277 -10.695 1.00 0.00 C ATOM 1628 C ASN A 98 22.189 -4.277 -9.495 1.00 0.00 C ATOM 1629 O ASN A 98 22.632 -4.303 -8.348 1.00 0.00 O ATOM 1630 CB ASN A 98 23.100 -2.885 -11.328 1.00 0.00 C ATOM 1631 CG ASN A 98 24.102 -1.947 -10.652 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.938 -1.537 -9.515 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.145 -1.631 -11.413 1.00 0.00 N ATOM 0 H ASN A 98 22.519 -4.948 -12.581 1.00 0.00 H new ATOM 0 HA ASN A 98 24.159 -4.506 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.326 -2.959 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.095 -2.471 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.870 -1.010 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.221 -2.010 -12.357 1.00 0.00 H new ATOM 1640 N HIS A 99 20.900 -4.247 -9.801 1.00 0.00 N ATOM 1641 CA HIS A 99 19.884 -4.244 -8.761 1.00 0.00 C ATOM 1642 C HIS A 99 20.239 -5.280 -7.693 1.00 0.00 C ATOM 1643 O HIS A 99 19.877 -5.124 -6.528 1.00 0.00 O ATOM 1644 CB HIS A 99 18.493 -4.461 -9.361 1.00 0.00 C ATOM 1645 CG HIS A 99 17.375 -4.424 -8.346 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.440 -3.672 -7.186 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.164 -5.051 -8.332 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.314 -3.848 -6.510 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.525 -4.703 -7.222 1.00 0.00 N ATOM 0 H HIS A 99 20.536 -4.225 -10.753 1.00 0.00 H new ATOM 0 HA HIS A 99 19.858 -3.269 -8.275 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.310 -3.696 -10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.475 -5.424 -9.872 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.789 -5.717 -9.095 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.065 -3.394 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.596 -5.022 -6.947 1.00 0.00 H new ATOM 1657 N TRP A 100 20.941 -6.315 -8.129 1.00 0.00 N ATOM 1658 CA TRP A 100 21.349 -7.377 -7.225 1.00 0.00 C ATOM 1659 C TRP A 100 22.259 -6.767 -6.158 1.00 0.00 C ATOM 1660 O TRP A 100 21.886 -6.693 -4.988 1.00 0.00 O ATOM 1661 CB TRP A 100 22.012 -8.525 -7.991 1.00 0.00 C ATOM 1662 CG TRP A 100 21.789 -9.902 -7.363 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.708 -10.830 -7.063 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.523 -10.472 -6.968 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.129 -11.953 -6.506 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.759 -11.728 -6.446 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.223 -9.945 -7.048 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.742 -12.561 -5.964 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.217 -10.790 -6.563 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.438 -12.056 -6.035 1.00 0.00 C ATOM 0 H TRP A 100 21.238 -6.441 -9.097 1.00 0.00 H new ATOM 0 HA TRP A 100 20.482 -7.818 -6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.629 -8.536 -9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.083 -8.335 -8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.768 -10.714 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.617 -12.793 -6.196 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.016 -8.965 -7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.952 -13.540 -5.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.199 -10.433 -6.602 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.607 -12.648 -5.681 1.00 0.00 H new ATOM 1681 N ASN A 101 23.434 -6.344 -6.599 1.00 0.00 N ATOM 1682 CA ASN A 101 24.400 -5.742 -5.696 1.00 0.00 C ATOM 1683 C ASN A 101 23.883 -4.376 -5.240 1.00 0.00 C ATOM 1684 O ASN A 101 24.509 -3.717 -4.411 1.00 0.00 O ATOM 1685 CB ASN A 101 25.747 -5.530 -6.391 1.00 0.00 C ATOM 1686 CG ASN A 101 26.469 -6.861 -6.606 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.930 -7.504 -5.677 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.542 -7.238 -7.880 1.00 0.00 N ATOM 0 H ASN A 101 23.739 -6.406 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 101 24.534 -6.414 -4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.591 -5.038 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.370 -4.867 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.005 -8.113 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.135 -6.652 -8.609 1.00 0.00 H new ATOM 1695 N SER A 102 22.746 -3.992 -5.801 1.00 0.00 N ATOM 1696 CA SER A 102 22.138 -2.717 -5.462 1.00 0.00 C ATOM 1697 C SER A 102 21.550 -2.776 -4.050 1.00 0.00 C ATOM 1698 O SER A 102 22.152 -2.274 -3.102 1.00 0.00 O ATOM 1699 CB SER A 102 21.053 -2.338 -6.473 1.00 0.00 C ATOM 1700 OG SER A 102 20.569 -1.014 -6.265 1.00 0.00 O ATOM 0 H SER A 102 22.230 -4.542 -6.488 1.00 0.00 H new ATOM 0 HA SER A 102 22.912 -1.950 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.453 -2.423 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.225 -3.043 -6.398 1.00 0.00 H new ATOM 0 HG SER A 102 19.880 -0.809 -6.931 1.00 0.00 H new ATOM 1706 N THR A 103 20.382 -3.393 -3.956 1.00 0.00 N ATOM 1707 CA THR A 103 19.706 -3.524 -2.676 1.00 0.00 C ATOM 1708 C THR A 103 19.372 -4.991 -2.397 1.00 0.00 C ATOM 1709 O THR A 103 19.018 -5.348 -1.274 1.00 0.00 O ATOM 1710 CB THR A 103 18.476 -2.614 -2.695 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.981 -1.340 -2.304 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.469 -2.968 -1.599 1.00 0.00 C ATOM 0 H THR A 103 19.886 -3.808 -4.745 1.00 0.00 H new ATOM 0 HA THR A 103 20.349 -3.208 -1.855 1.00 0.00 H new ATOM 0 HB THR A 103 17.991 -2.680 -3.669 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.249 -0.688 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.616 -2.292 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.129 -3.995 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.944 -2.870 -0.623 1.00 0.00 H new ATOM 1720 N ILE A 104 19.497 -5.801 -3.437 1.00 0.00 N ATOM 1721 CA ILE A 104 19.213 -7.221 -3.318 1.00 0.00 C ATOM 1722 C ILE A 104 20.497 -7.964 -2.943 1.00 0.00 C ATOM 1723 O ILE A 104 20.683 -9.119 -3.322 1.00 0.00 O ATOM 1724 CB ILE A 104 18.551 -7.744 -4.594 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.616 -6.693 -5.197 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.832 -9.069 -4.335 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.188 -7.087 -6.612 1.00 0.00 C ATOM 0 H ILE A 104 19.791 -5.501 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 104 18.495 -7.400 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 104 19.332 -7.940 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.735 -6.579 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.118 -5.726 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.370 -9.419 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.550 -9.810 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.063 -8.923 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.524 -6.323 -7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.069 -7.176 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.665 -8.043 -6.581 1.00 0.00 H new ATOM 1739 N LYS A 105 21.350 -7.270 -2.204 1.00 0.00 N ATOM 1740 CA LYS A 105 22.611 -7.849 -1.773 1.00 0.00 C ATOM 1741 C LYS A 105 22.986 -7.284 -0.402 1.00 0.00 C ATOM 1742 O LYS A 105 23.408 -6.134 -0.295 1.00 0.00 O ATOM 1743 CB LYS A 105 23.688 -7.640 -2.840 1.00 0.00 C ATOM 1744 CG LYS A 105 23.489 -8.599 -4.016 1.00 0.00 C ATOM 1745 CD LYS A 105 23.813 -10.038 -3.611 1.00 0.00 C ATOM 1746 CE LYS A 105 25.310 -10.322 -3.746 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.562 -11.780 -3.759 1.00 0.00 N ATOM 0 H LYS A 105 21.192 -6.312 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 105 22.514 -8.928 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.657 -6.610 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.674 -7.796 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.459 -8.540 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.128 -8.299 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.498 -10.209 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.250 -10.731 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.690 -9.873 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.850 -9.861 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.583 -11.955 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.217 -12.200 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.063 -12.211 -4.563 1.00 0.00 H new ATOM 1761 N ARG A 106 22.817 -8.119 0.613 1.00 0.00 N ATOM 1762 CA ARG A 106 23.132 -7.717 1.973 1.00 0.00 C ATOM 1763 C ARG A 106 24.644 -7.763 2.204 1.00 0.00 C ATOM 1764 O ARG A 106 25.283 -6.724 2.365 1.00 0.00 O ATOM 1765 CB ARG A 106 22.440 -8.626 2.991 1.00 0.00 C ATOM 1766 CG ARG A 106 20.995 -8.184 3.228 1.00 0.00 C ATOM 1767 CD ARG A 106 20.169 -8.298 1.945 1.00 0.00 C ATOM 1768 NE ARG A 106 20.209 -9.688 1.439 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.550 -10.711 2.000 1.00 0.00 C ATOM 1770 NH1 ARG A 106 18.796 -10.505 3.089 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.644 -11.939 1.473 1.00 0.00 N ATOM 0 H ARG A 106 22.466 -9.072 0.520 1.00 0.00 H new ATOM 0 HA ARG A 106 22.771 -6.698 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.455 -9.656 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.989 -8.607 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.547 -8.798 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.980 -7.154 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.138 -8.002 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.559 -7.616 1.190 1.00 0.00 H new ATOM 0 HE ARG A 106 20.774 -9.879 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.724 -9.570 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.294 -11.283 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 106 20.218 -12.096 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.142 -12.717 1.901 1.00 0.00 H new ATOM 1785 N LYS A 107 25.173 -8.978 2.211 1.00 0.00 N ATOM 1786 CA LYS A 107 26.597 -9.173 2.419 1.00 0.00 C ATOM 1787 C LYS A 107 27.365 -8.608 1.223 1.00 0.00 C ATOM 1788 O LYS A 107 27.818 -9.359 0.360 1.00 0.00 O ATOM 1789 CB LYS A 107 26.901 -10.645 2.705 1.00 0.00 C ATOM 1790 CG LYS A 107 28.321 -11.008 2.265 1.00 0.00 C ATOM 1791 CD LYS A 107 28.983 -11.951 3.272 1.00 0.00 C ATOM 1792 CE LYS A 107 30.508 -11.869 3.178 1.00 0.00 C ATOM 1793 NZ LYS A 107 31.123 -13.134 3.640 1.00 0.00 N ATOM 0 H LYS A 107 24.640 -9.837 2.076 1.00 0.00 H new ATOM 0 HA LYS A 107 26.931 -8.626 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 107 26.785 -10.844 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.182 -11.276 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 107 28.292 -11.481 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 107 28.917 -10.101 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 107 28.663 -11.694 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.658 -12.975 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 107 30.805 -11.668 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 107 30.872 -11.038 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 32.158 -13.063 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 30.854 -13.310 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 30.789 -13.920 3.046 1.00 0.00 H new ATOM 1807 N VAL A 108 27.488 -7.289 1.209 1.00 0.00 N ATOM 1808 CA VAL A 108 28.193 -6.614 0.132 1.00 0.00 C ATOM 1809 C VAL A 108 28.769 -5.295 0.653 1.00 0.00 C ATOM 1810 O VAL A 108 29.932 -4.981 0.405 1.00 0.00 O ATOM 1811 CB VAL A 108 27.262 -6.428 -1.067 1.00 0.00 C ATOM 1812 CG1 VAL A 108 27.150 -4.951 -1.450 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.727 -7.269 -2.258 1.00 0.00 C ATOM 0 H VAL A 108 27.111 -6.669 1.926 1.00 0.00 H new ATOM 0 HA VAL A 108 29.030 -7.220 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 108 26.270 -6.776 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.482 -4.847 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.752 -4.386 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 108 28.136 -4.567 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 108 27.048 -7.118 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.733 -6.966 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.732 -8.323 -1.980 1.00 0.00 H new ATOM 1823 N ASP A 109 27.927 -4.560 1.364 1.00 0.00 N ATOM 1824 CA ASP A 109 28.337 -3.282 1.922 1.00 0.00 C ATOM 1825 C ASP A 109 27.512 -2.989 3.176 1.00 0.00 C ATOM 1826 O ASP A 109 26.589 -2.177 3.140 1.00 0.00 O ATOM 1827 CB ASP A 109 28.103 -2.145 0.925 1.00 0.00 C ATOM 1828 CG ASP A 109 28.905 -0.871 1.197 1.00 0.00 C ATOM 1829 OD1 ASP A 109 28.776 -0.349 2.325 1.00 0.00 O ATOM 1830 OD2 ASP A 109 29.630 -0.449 0.270 1.00 0.00 O ATOM 0 H ASP A 109 26.963 -4.825 1.567 1.00 0.00 H new ATOM 0 HA ASP A 109 29.400 -3.342 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 109 28.347 -2.503 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 109 27.042 -1.895 0.924 1.00 0.00 H new ATOM 1835 N THR A 110 27.873 -3.667 4.256 1.00 0.00 N ATOM 1836 CA THR A 110 27.177 -3.489 5.519 1.00 0.00 C ATOM 1837 C THR A 110 27.254 -2.029 5.969 1.00 0.00 C ATOM 1838 O THR A 110 26.872 -1.702 7.092 1.00 0.00 O ATOM 1839 CB THR A 110 27.775 -4.470 6.530 1.00 0.00 C ATOM 1840 OG1 THR A 110 26.821 -4.502 7.588 1.00 0.00 O ATOM 1841 CG2 THR A 110 29.045 -3.929 7.189 1.00 0.00 C ATOM 0 H THR A 110 28.639 -4.341 4.282 1.00 0.00 H new ATOM 0 HA THR A 110 26.114 -3.710 5.420 1.00 0.00 H new ATOM 0 HB THR A 110 27.998 -5.414 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 110 26.565 -3.586 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 110 29.429 -4.663 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 110 29.797 -3.735 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 110 28.815 -3.003 7.716 1.00 0.00 H new TER 1849 THR A 110