USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=18 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+ 180:sc= 0 (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 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=2.7e-06) 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+ -172:sc= 0 (180deg=-0.0188) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -6.91! C(o=-6.9!,f=-6.8!) 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 HD1:sc= -0.962 X(o=-0.96,f=-0.73) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0169 (180deg=-0.296) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.056 K(o=-0.056,f=-0.88) USER MOD Single : A 45 CYS SG : rot 41:sc= 0.345 USER MOD Single : A 50 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-0.79) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.11 F(o=-5.9!,f=-1.1) USER MOD Single : A 52 HIS : no HD1:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 54 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1) 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 -150:sc= -0.295 USER MOD Single : A 61 SER OG : rot 74:sc= 0.414 USER MOD Single : A 63 THR OG1 : rot -140:sc= -2.83 USER MOD Single : A 74 HIS : +bothHN:sc= -27.6! C(o=-28!,f=-33!) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0.883 (180deg=0.779) USER MOD Single : A 79 ASN : amide:sc= -0.734 K(o=-0.73,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 94 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00811 X(o=-0.0081,f=-0.0013) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -15.4! C(o=-16!,f=-15!) USER MOD Single : A 101 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.084) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 140: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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.284 37.362 -22.260 1.00 0.00 N ATOM 2 CA GLY A 1 -15.326 36.456 -21.808 1.00 0.00 C ATOM 3 C GLY A 1 -14.736 35.308 -20.987 1.00 0.00 C ATOM 4 O GLY A 1 -14.478 35.462 -19.794 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.710 38.132 -22.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.790 37.761 -21.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.606 36.843 -22.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.052 37.003 -21.206 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.862 36.055 -22.668 1.00 0.00 H new ATOM 8 N ILE A 2 -14.541 34.182 -21.658 1.00 0.00 N ATOM 9 CA ILE A 2 -13.986 33.008 -21.005 1.00 0.00 C ATOM 10 C ILE A 2 -12.483 33.206 -20.801 1.00 0.00 C ATOM 11 O ILE A 2 -11.926 34.224 -21.209 1.00 0.00 O ATOM 12 CB ILE A 2 -14.340 31.742 -21.787 1.00 0.00 C ATOM 13 CG1 ILE A 2 -13.196 31.336 -22.718 1.00 0.00 C ATOM 14 CG2 ILE A 2 -15.660 31.915 -22.542 1.00 0.00 C ATOM 15 CD1 ILE A 2 -13.526 30.036 -23.456 1.00 0.00 C ATOM 0 H ILE A 2 -14.757 34.058 -22.647 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.427 32.877 -20.017 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.481 30.928 -21.075 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.010 32.131 -23.440 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.280 31.209 -22.141 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.888 31.001 -23.090 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -16.461 32.122 -21.832 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -15.572 32.745 -23.243 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.697 29.769 -24.111 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.688 29.238 -22.732 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.429 30.174 -24.051 1.00 0.00 H new ATOM 27 N PRO A 3 -11.852 32.189 -20.154 1.00 0.00 N ATOM 28 CA PRO A 3 -10.424 32.241 -19.892 1.00 0.00 C ATOM 29 C PRO A 3 -9.622 31.973 -21.167 1.00 0.00 C ATOM 30 O PRO A 3 -10.141 32.119 -22.273 1.00 0.00 O ATOM 31 CB PRO A 3 -10.184 31.201 -18.810 1.00 0.00 C ATOM 32 CG PRO A 3 -11.397 30.285 -18.836 1.00 0.00 C ATOM 33 CD PRO A 3 -12.479 30.969 -19.657 1.00 0.00 C ATOM 0 HA PRO A 3 -10.093 33.225 -19.560 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.268 30.642 -19.002 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.071 31.672 -17.834 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.138 29.321 -19.273 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.751 30.091 -17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.815 30.334 -20.477 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.355 31.194 -19.049 1.00 0.00 H new ATOM 41 N ASP A 4 -8.371 31.585 -20.970 1.00 0.00 N ATOM 42 CA ASP A 4 -7.492 31.294 -22.091 1.00 0.00 C ATOM 43 C ASP A 4 -8.066 30.125 -22.893 1.00 0.00 C ATOM 44 O ASP A 4 -8.979 29.441 -22.434 1.00 0.00 O ATOM 45 CB ASP A 4 -6.096 30.897 -21.608 1.00 0.00 C ATOM 46 CG ASP A 4 -4.972 31.127 -22.620 1.00 0.00 C ATOM 47 OD1 ASP A 4 -5.279 31.696 -23.690 1.00 0.00 O ATOM 48 OD2 ASP A 4 -3.831 30.730 -22.300 1.00 0.00 O ATOM 0 H ASP A 4 -7.945 31.465 -20.051 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.419 32.192 -22.704 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.869 31.458 -20.701 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.109 29.842 -21.335 1.00 0.00 H new ATOM 53 N LEU A 5 -7.506 29.930 -24.078 1.00 0.00 N ATOM 54 CA LEU A 5 -7.950 28.855 -24.949 1.00 0.00 C ATOM 55 C LEU A 5 -9.472 28.915 -25.089 1.00 0.00 C ATOM 56 O LEU A 5 -10.199 28.469 -24.203 1.00 0.00 O ATOM 57 CB LEU A 5 -7.431 27.507 -24.443 1.00 0.00 C ATOM 58 CG LEU A 5 -6.021 27.119 -24.893 1.00 0.00 C ATOM 59 CD1 LEU A 5 -5.064 27.055 -23.702 1.00 0.00 C ATOM 60 CD2 LEU A 5 -6.040 25.810 -25.685 1.00 0.00 C ATOM 0 H LEU A 5 -6.748 30.499 -24.455 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.532 28.976 -25.948 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.453 27.518 -23.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.122 26.729 -24.768 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.650 27.895 -25.562 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.069 26.777 -24.049 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.020 28.031 -23.218 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.420 26.312 -22.989 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.026 25.556 -25.993 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.439 25.012 -25.059 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.669 25.928 -26.568 1.00 0.00 H new ATOM 72 N VAL A 6 -9.909 29.469 -26.210 1.00 0.00 N ATOM 73 CA VAL A 6 -11.332 29.593 -26.479 1.00 0.00 C ATOM 74 C VAL A 6 -11.665 28.868 -27.784 1.00 0.00 C ATOM 75 O VAL A 6 -11.097 27.817 -28.077 1.00 0.00 O ATOM 76 CB VAL A 6 -11.735 31.069 -26.495 1.00 0.00 C ATOM 77 CG1 VAL A 6 -13.243 31.228 -26.293 1.00 0.00 C ATOM 78 CG2 VAL A 6 -10.955 31.862 -25.445 1.00 0.00 C ATOM 0 H VAL A 6 -9.303 29.837 -26.943 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.913 29.120 -25.687 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.484 31.474 -27.475 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.503 32.287 -26.309 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.774 30.712 -27.093 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.529 30.798 -25.333 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.261 32.908 -25.478 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.160 31.455 -24.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.888 31.789 -25.653 1.00 0.00 H new ATOM 88 N LYS A 7 -12.586 29.457 -28.533 1.00 0.00 N ATOM 89 CA LYS A 7 -13.002 28.880 -29.800 1.00 0.00 C ATOM 90 C LYS A 7 -13.064 27.358 -29.666 1.00 0.00 C ATOM 91 O LYS A 7 -12.871 26.636 -30.644 1.00 0.00 O ATOM 92 CB LYS A 7 -12.092 29.361 -30.932 1.00 0.00 C ATOM 93 CG LYS A 7 -12.761 30.478 -31.736 1.00 0.00 C ATOM 94 CD LYS A 7 -12.513 31.843 -31.089 1.00 0.00 C ATOM 95 CE LYS A 7 -11.329 32.554 -31.747 1.00 0.00 C ATOM 96 NZ LYS A 7 -10.736 33.541 -30.817 1.00 0.00 N ATOM 0 H LYS A 7 -13.056 30.328 -28.286 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.004 29.219 -30.062 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.150 29.720 -30.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.853 28.526 -31.591 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.375 30.479 -32.755 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.833 30.292 -31.802 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.407 32.460 -31.178 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.319 31.715 -30.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.575 31.823 -32.040 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.658 33.055 -32.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.934 34.015 -31.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.453 34.248 -30.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.404 33.054 -29.960 1.00 0.00 H new ATOM 110 N GLY A 8 -13.334 26.913 -28.447 1.00 0.00 N ATOM 111 CA GLY A 8 -13.424 25.489 -28.173 1.00 0.00 C ATOM 112 C GLY A 8 -12.336 25.050 -27.191 1.00 0.00 C ATOM 113 O GLY A 8 -11.323 24.481 -27.595 1.00 0.00 O ATOM 0 H GLY A 8 -13.493 27.514 -27.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.406 25.256 -27.762 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.327 24.929 -29.103 1.00 0.00 H new ATOM 117 N PRO A 9 -12.588 25.339 -25.886 1.00 0.00 N ATOM 118 CA PRO A 9 -11.642 24.980 -24.844 1.00 0.00 C ATOM 119 C PRO A 9 -11.686 23.478 -24.556 1.00 0.00 C ATOM 120 O PRO A 9 -12.739 22.938 -24.218 1.00 0.00 O ATOM 121 CB PRO A 9 -12.038 25.826 -23.645 1.00 0.00 C ATOM 122 CG PRO A 9 -13.464 26.280 -23.907 1.00 0.00 C ATOM 123 CD PRO A 9 -13.777 26.012 -25.371 1.00 0.00 C ATOM 0 HA PRO A 9 -10.608 25.176 -25.129 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.975 25.249 -22.722 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.371 26.680 -23.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.160 25.742 -23.263 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.575 27.341 -23.681 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.664 25.387 -25.479 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.973 26.939 -25.910 1.00 0.00 H new ATOM 131 N TRP A 10 -10.531 22.846 -24.700 1.00 0.00 N ATOM 132 CA TRP A 10 -10.425 21.416 -24.460 1.00 0.00 C ATOM 133 C TRP A 10 -10.520 21.182 -22.951 1.00 0.00 C ATOM 134 O TRP A 10 -10.100 22.026 -22.161 1.00 0.00 O ATOM 135 CB TRP A 10 -9.142 20.851 -25.074 1.00 0.00 C ATOM 136 CG TRP A 10 -9.032 21.058 -26.585 1.00 0.00 C ATOM 137 CD1 TRP A 10 -9.447 22.108 -27.307 1.00 0.00 C ATOM 138 CD2 TRP A 10 -8.448 20.144 -27.538 1.00 0.00 C ATOM 139 NE1 TRP A 10 -9.175 21.939 -28.649 1.00 0.00 N ATOM 140 CE2 TRP A 10 -8.548 20.707 -28.794 1.00 0.00 C ATOM 141 CE3 TRP A 10 -7.856 18.884 -27.345 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -8.077 20.080 -29.954 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -7.390 18.271 -28.514 1.00 0.00 C ATOM 144 CH2 TRP A 10 -7.483 18.824 -29.786 1.00 0.00 C ATOM 0 H TRP A 10 -9.660 23.297 -24.980 1.00 0.00 H new ATOM 0 HA TRP A 10 -11.240 20.881 -24.947 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.284 21.318 -24.590 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.088 19.784 -24.859 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.933 22.978 -26.890 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -9.394 22.597 -29.397 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.768 18.425 -26.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.167 20.541 -30.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -6.926 17.300 -28.421 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.099 18.287 -30.641 1.00 0.00 H new ATOM 155 N THR A 11 -11.073 20.032 -22.597 1.00 0.00 N ATOM 156 CA THR A 11 -11.228 19.676 -21.197 1.00 0.00 C ATOM 157 C THR A 11 -10.810 18.222 -20.966 1.00 0.00 C ATOM 158 O THR A 11 -10.205 17.601 -21.839 1.00 0.00 O ATOM 159 CB THR A 11 -12.676 19.962 -20.793 1.00 0.00 C ATOM 160 OG1 THR A 11 -13.434 18.989 -21.506 1.00 0.00 O ATOM 161 CG2 THR A 11 -13.182 21.300 -21.338 1.00 0.00 C ATOM 0 H THR A 11 -11.419 19.334 -23.255 1.00 0.00 H new ATOM 0 HA THR A 11 -10.574 20.275 -20.563 1.00 0.00 H new ATOM 0 HB THR A 11 -12.757 19.958 -19.706 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.386 19.101 -21.301 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.214 21.454 -21.023 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.560 22.108 -20.953 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.133 21.291 -22.427 1.00 0.00 H new ATOM 169 N LYS A 12 -11.148 17.723 -19.787 1.00 0.00 N ATOM 170 CA LYS A 12 -10.815 16.354 -19.431 1.00 0.00 C ATOM 171 C LYS A 12 -11.033 15.448 -20.644 1.00 0.00 C ATOM 172 O LYS A 12 -10.104 14.787 -21.105 1.00 0.00 O ATOM 173 CB LYS A 12 -11.596 15.918 -18.190 1.00 0.00 C ATOM 174 CG LYS A 12 -10.956 14.688 -17.543 1.00 0.00 C ATOM 175 CD LYS A 12 -12.009 13.828 -16.839 1.00 0.00 C ATOM 176 CE LYS A 12 -12.462 12.673 -17.734 1.00 0.00 C ATOM 177 NZ LYS A 12 -13.920 12.459 -17.605 1.00 0.00 N ATOM 0 H LYS A 12 -11.649 18.242 -19.066 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.762 16.277 -19.160 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.629 16.736 -17.471 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.627 15.694 -18.465 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.447 14.096 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.199 15.003 -16.825 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.599 13.433 -15.910 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.868 14.444 -16.572 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.211 12.890 -18.772 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.929 11.762 -17.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.211 11.672 -18.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.151 12.231 -16.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.424 13.323 -17.888 1.00 0.00 H new ATOM 191 N GLU A 13 -12.267 15.447 -21.127 1.00 0.00 N ATOM 192 CA GLU A 13 -12.619 14.633 -22.279 1.00 0.00 C ATOM 193 C GLU A 13 -11.509 14.693 -23.330 1.00 0.00 C ATOM 194 O GLU A 13 -10.966 13.661 -23.724 1.00 0.00 O ATOM 195 CB GLU A 13 -13.959 15.072 -22.871 1.00 0.00 C ATOM 196 CG GLU A 13 -14.718 13.878 -23.455 1.00 0.00 C ATOM 197 CD GLU A 13 -14.955 14.060 -24.955 1.00 0.00 C ATOM 198 OE1 GLU A 13 -15.737 14.973 -25.299 1.00 0.00 O ATOM 199 OE2 GLU A 13 -14.350 13.282 -25.724 1.00 0.00 O ATOM 0 H GLU A 13 -13.035 15.996 -20.742 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.726 13.599 -21.950 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.563 15.549 -22.099 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.790 15.816 -23.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.152 12.963 -23.281 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.674 13.764 -22.943 1.00 0.00 H new ATOM 206 N GLU A 14 -11.204 15.910 -23.754 1.00 0.00 N ATOM 207 CA GLU A 14 -10.169 16.118 -24.752 1.00 0.00 C ATOM 208 C GLU A 14 -8.871 15.432 -24.321 1.00 0.00 C ATOM 209 O GLU A 14 -8.220 14.766 -25.124 1.00 0.00 O ATOM 210 CB GLU A 14 -9.943 17.610 -25.006 1.00 0.00 C ATOM 211 CG GLU A 14 -10.857 18.121 -26.122 1.00 0.00 C ATOM 212 CD GLU A 14 -12.311 18.189 -25.651 1.00 0.00 C ATOM 213 OE1 GLU A 14 -12.643 19.187 -24.976 1.00 0.00 O ATOM 214 OE2 GLU A 14 -13.059 17.241 -25.977 1.00 0.00 O ATOM 0 H GLU A 14 -11.656 16.763 -23.424 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.500 15.670 -25.689 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.132 18.171 -24.091 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.901 17.783 -25.276 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.528 19.110 -26.442 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.782 17.464 -26.988 1.00 0.00 H new ATOM 221 N ASP A 15 -8.534 15.619 -23.053 1.00 0.00 N ATOM 222 CA ASP A 15 -7.325 15.027 -22.506 1.00 0.00 C ATOM 223 C ASP A 15 -7.428 13.503 -22.586 1.00 0.00 C ATOM 224 O ASP A 15 -6.467 12.831 -22.959 1.00 0.00 O ATOM 225 CB ASP A 15 -7.140 15.412 -21.036 1.00 0.00 C ATOM 226 CG ASP A 15 -6.361 16.707 -20.800 1.00 0.00 C ATOM 227 OD1 ASP A 15 -6.731 17.716 -21.438 1.00 0.00 O ATOM 228 OD2 ASP A 15 -5.413 16.659 -19.987 1.00 0.00 O ATOM 0 H ASP A 15 -9.077 16.172 -22.389 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.477 15.394 -23.085 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.123 15.508 -20.575 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.626 14.598 -20.525 1.00 0.00 H new ATOM 233 N GLN A 16 -8.601 13.001 -22.229 1.00 0.00 N ATOM 234 CA GLN A 16 -8.841 11.568 -22.256 1.00 0.00 C ATOM 235 C GLN A 16 -8.509 11.000 -23.637 1.00 0.00 C ATOM 236 O GLN A 16 -8.230 9.810 -23.772 1.00 0.00 O ATOM 237 CB GLN A 16 -10.285 11.247 -21.864 1.00 0.00 C ATOM 238 CG GLN A 16 -11.195 11.226 -23.094 1.00 0.00 C ATOM 239 CD GLN A 16 -11.752 9.823 -23.340 1.00 0.00 C ATOM 240 OE1 GLN A 16 -11.233 9.050 -24.129 1.00 0.00 O ATOM 241 NE2 GLN A 16 -12.835 9.537 -22.623 1.00 0.00 N ATOM 0 H GLN A 16 -9.395 13.561 -21.920 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.186 11.096 -21.524 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.323 10.280 -21.362 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.646 11.990 -21.153 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.017 11.928 -22.955 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.637 11.558 -23.969 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.219 10.230 -21.980 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.282 8.625 -22.716 1.00 0.00 H new ATOM 250 N LYS A 17 -8.550 11.878 -24.629 1.00 0.00 N ATOM 251 CA LYS A 17 -8.256 11.479 -25.995 1.00 0.00 C ATOM 252 C LYS A 17 -6.766 11.157 -26.118 1.00 0.00 C ATOM 253 O LYS A 17 -6.396 10.078 -26.577 1.00 0.00 O ATOM 254 CB LYS A 17 -8.739 12.545 -26.980 1.00 0.00 C ATOM 255 CG LYS A 17 -9.142 11.915 -28.315 1.00 0.00 C ATOM 256 CD LYS A 17 -8.811 12.847 -29.483 1.00 0.00 C ATOM 257 CE LYS A 17 -9.741 12.590 -30.670 1.00 0.00 C ATOM 258 NZ LYS A 17 -9.432 11.286 -31.298 1.00 0.00 N ATOM 0 H LYS A 17 -8.782 12.864 -24.514 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.801 10.571 -26.252 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.588 13.080 -26.555 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.950 13.279 -27.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.623 10.965 -28.444 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.210 11.697 -28.311 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.903 13.885 -29.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.775 12.699 -29.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.778 12.603 -30.336 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.633 13.389 -31.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.072 11.127 -32.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.448 11.287 -31.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.558 10.526 -30.600 1.00 0.00 H new ATOM 272 N VAL A 18 -5.950 12.114 -25.701 1.00 0.00 N ATOM 273 CA VAL A 18 -4.508 11.947 -25.759 1.00 0.00 C ATOM 274 C VAL A 18 -4.137 10.563 -25.222 1.00 0.00 C ATOM 275 O VAL A 18 -3.385 9.827 -25.858 1.00 0.00 O ATOM 276 CB VAL A 18 -3.818 13.086 -25.006 1.00 0.00 C ATOM 277 CG1 VAL A 18 -2.492 12.619 -24.401 1.00 0.00 C ATOM 278 CG2 VAL A 18 -3.609 14.298 -25.915 1.00 0.00 C ATOM 0 H VAL A 18 -6.261 13.008 -25.321 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.159 12.000 -26.790 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.471 13.390 -24.188 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.022 13.448 -23.871 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.678 11.802 -23.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.831 12.275 -25.196 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.117 15.093 -25.354 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.987 14.013 -26.763 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.574 14.653 -26.276 1.00 0.00 H new ATOM 288 N ILE A 19 -4.683 10.251 -24.055 1.00 0.00 N ATOM 289 CA ILE A 19 -4.419 8.969 -23.425 1.00 0.00 C ATOM 290 C ILE A 19 -4.851 7.844 -24.368 1.00 0.00 C ATOM 291 O ILE A 19 -4.190 6.809 -24.448 1.00 0.00 O ATOM 292 CB ILE A 19 -5.080 8.904 -22.046 1.00 0.00 C ATOM 293 CG1 ILE A 19 -4.267 9.684 -21.011 1.00 0.00 C ATOM 294 CG2 ILE A 19 -5.313 7.453 -21.618 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.597 10.904 -21.646 1.00 0.00 C ATOM 0 H ILE A 19 -5.307 10.864 -23.530 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.351 8.844 -23.247 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.058 9.381 -22.113 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.919 10.005 -20.198 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.509 9.034 -20.574 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.784 7.435 -20.635 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.963 6.960 -22.341 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.358 6.929 -21.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.026 11.441 -20.889 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.928 10.578 -22.442 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.360 11.564 -22.060 1.00 0.00 H new ATOM 307 N GLU A 20 -5.957 8.084 -25.057 1.00 0.00 N ATOM 308 CA GLU A 20 -6.484 7.104 -25.991 1.00 0.00 C ATOM 309 C GLU A 20 -5.666 7.108 -27.283 1.00 0.00 C ATOM 310 O GLU A 20 -5.755 6.177 -28.082 1.00 0.00 O ATOM 311 CB GLU A 20 -7.965 7.361 -26.278 1.00 0.00 C ATOM 312 CG GLU A 20 -8.850 6.364 -25.528 1.00 0.00 C ATOM 313 CD GLU A 20 -10.014 5.898 -26.405 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.447 6.709 -27.252 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.445 4.741 -26.208 1.00 0.00 O ATOM 0 H GLU A 20 -6.503 8.943 -24.987 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.402 6.117 -25.536 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.225 8.377 -25.983 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.150 7.283 -27.349 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.255 5.504 -25.220 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.236 6.827 -24.620 1.00 0.00 H new ATOM 322 N LEU A 21 -4.887 8.167 -27.450 1.00 0.00 N ATOM 323 CA LEU A 21 -4.054 8.305 -28.632 1.00 0.00 C ATOM 324 C LEU A 21 -2.734 7.563 -28.410 1.00 0.00 C ATOM 325 O LEU A 21 -2.404 6.641 -29.153 1.00 0.00 O ATOM 326 CB LEU A 21 -3.876 9.781 -28.993 1.00 0.00 C ATOM 327 CG LEU A 21 -4.901 10.362 -29.969 1.00 0.00 C ATOM 328 CD1 LEU A 21 -5.267 11.798 -29.591 1.00 0.00 C ATOM 329 CD2 LEU A 21 -4.405 10.257 -31.412 1.00 0.00 C ATOM 0 H LEU A 21 -4.815 8.938 -26.786 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.538 7.846 -29.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.908 10.366 -28.074 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.882 9.913 -29.420 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.813 9.769 -29.898 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.997 12.186 -30.301 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.693 11.813 -28.588 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.372 12.420 -29.614 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.152 10.677 -32.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.471 10.809 -31.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.238 9.210 -31.664 1.00 0.00 H new ATOM 341 N VAL A 22 -2.016 7.994 -27.383 1.00 0.00 N ATOM 342 CA VAL A 22 -0.739 7.382 -27.054 1.00 0.00 C ATOM 343 C VAL A 22 -0.945 5.886 -26.806 1.00 0.00 C ATOM 344 O VAL A 22 -0.014 5.096 -26.948 1.00 0.00 O ATOM 345 CB VAL A 22 -0.104 8.104 -25.864 1.00 0.00 C ATOM 346 CG1 VAL A 22 1.398 7.824 -25.792 1.00 0.00 C ATOM 347 CG2 VAL A 22 -0.380 9.608 -25.924 1.00 0.00 C ATOM 0 H VAL A 22 -2.294 8.759 -26.768 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.042 7.481 -27.886 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.561 7.716 -24.954 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.825 8.349 -24.938 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.563 6.753 -25.680 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.877 8.171 -26.708 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.082 10.097 -25.067 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.037 10.018 -26.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.456 9.782 -25.904 1.00 0.00 H new ATOM 357 N LYS A 23 -2.171 5.543 -26.438 1.00 0.00 N ATOM 358 CA LYS A 23 -2.511 4.156 -26.168 1.00 0.00 C ATOM 359 C LYS A 23 -2.587 3.388 -27.489 1.00 0.00 C ATOM 360 O LYS A 23 -1.899 2.384 -27.668 1.00 0.00 O ATOM 361 CB LYS A 23 -3.789 4.071 -25.332 1.00 0.00 C ATOM 362 CG LYS A 23 -3.474 4.154 -23.837 1.00 0.00 C ATOM 363 CD LYS A 23 -3.667 2.796 -23.160 1.00 0.00 C ATOM 364 CE LYS A 23 -4.648 2.902 -21.990 1.00 0.00 C ATOM 365 NZ LYS A 23 -5.622 1.788 -22.028 1.00 0.00 N ATOM 0 H LYS A 23 -2.941 6.202 -26.320 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.734 3.683 -25.568 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.464 4.880 -25.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.307 3.136 -25.547 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.447 4.492 -23.696 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.121 4.894 -23.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.038 2.073 -23.886 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.707 2.424 -22.802 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.102 2.883 -21.047 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.175 3.855 -22.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.280 1.875 -21.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.155 1.823 -22.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.116 0.882 -21.963 1.00 0.00 H new ATOM 379 N LYS A 24 -3.430 3.889 -28.380 1.00 0.00 N ATOM 380 CA LYS A 24 -3.605 3.263 -29.679 1.00 0.00 C ATOM 381 C LYS A 24 -2.329 3.444 -30.505 1.00 0.00 C ATOM 382 O LYS A 24 -2.090 2.702 -31.456 1.00 0.00 O ATOM 383 CB LYS A 24 -4.863 3.797 -30.367 1.00 0.00 C ATOM 384 CG LYS A 24 -5.383 2.804 -31.408 1.00 0.00 C ATOM 385 CD LYS A 24 -4.871 3.156 -32.806 1.00 0.00 C ATOM 386 CE LYS A 24 -5.812 4.140 -33.503 1.00 0.00 C ATOM 387 NZ LYS A 24 -7.002 3.434 -34.029 1.00 0.00 N ATOM 0 H LYS A 24 -3.999 4.722 -28.228 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.762 2.190 -29.566 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.636 3.987 -29.622 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.642 4.750 -30.847 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.065 1.795 -31.144 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.473 2.806 -31.405 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.874 3.590 -32.733 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.781 2.249 -33.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.122 4.915 -32.802 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.288 4.639 -34.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.562 4.086 -34.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.698 2.625 -34.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.583 3.094 -33.236 1.00 0.00 H new ATOM 401 N TYR A 25 -1.544 4.436 -30.111 1.00 0.00 N ATOM 402 CA TYR A 25 -0.299 4.725 -30.802 1.00 0.00 C ATOM 403 C TYR A 25 0.839 3.851 -30.270 1.00 0.00 C ATOM 404 O TYR A 25 1.456 3.102 -31.026 1.00 0.00 O ATOM 405 CB TYR A 25 0.019 6.192 -30.504 1.00 0.00 C ATOM 406 CG TYR A 25 -0.680 7.182 -31.438 1.00 0.00 C ATOM 407 CD1 TYR A 25 -1.885 6.847 -32.022 1.00 0.00 C ATOM 408 CD2 TYR A 25 -0.105 8.409 -31.697 1.00 0.00 C ATOM 409 CE1 TYR A 25 -2.543 7.779 -32.901 1.00 0.00 C ATOM 410 CE2 TYR A 25 -0.762 9.341 -32.577 1.00 0.00 C ATOM 411 CZ TYR A 25 -1.949 8.980 -33.135 1.00 0.00 C ATOM 412 OH TYR A 25 -2.570 9.860 -33.965 1.00 0.00 O ATOM 0 H TYR A 25 -1.746 5.050 -29.322 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.398 4.527 -31.869 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.268 6.414 -29.476 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.097 6.341 -30.574 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.334 5.886 -31.820 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.838 8.671 -31.240 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.487 7.530 -33.364 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.322 10.304 -32.789 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.032 10.676 -34.039 1.00 0.00 H new ATOM 422 N GLY A 26 1.082 3.976 -28.974 1.00 0.00 N ATOM 423 CA GLY A 26 2.135 3.207 -28.332 1.00 0.00 C ATOM 424 C GLY A 26 3.307 2.979 -29.288 1.00 0.00 C ATOM 425 O GLY A 26 3.280 2.056 -30.101 1.00 0.00 O ATOM 0 H GLY A 26 0.568 4.598 -28.351 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.483 3.732 -27.443 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.739 2.247 -28.001 1.00 0.00 H new ATOM 429 N THR A 27 4.310 3.836 -29.159 1.00 0.00 N ATOM 430 CA THR A 27 5.490 3.740 -30.002 1.00 0.00 C ATOM 431 C THR A 27 6.505 4.820 -29.622 1.00 0.00 C ATOM 432 O THR A 27 7.633 4.510 -29.242 1.00 0.00 O ATOM 433 CB THR A 27 5.037 3.818 -31.461 1.00 0.00 C ATOM 434 OG1 THR A 27 6.234 4.096 -32.182 1.00 0.00 O ATOM 435 CG2 THR A 27 4.146 5.032 -31.734 1.00 0.00 C ATOM 0 H THR A 27 4.330 4.600 -28.483 1.00 0.00 H new ATOM 0 HA THR A 27 6.004 2.790 -29.857 1.00 0.00 H new ATOM 0 HB THR A 27 4.499 2.907 -31.723 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.032 4.162 -33.139 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.853 5.039 -32.784 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.255 4.977 -31.109 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.695 5.945 -31.504 1.00 0.00 H new ATOM 443 N LYS A 28 6.068 6.065 -29.738 1.00 0.00 N ATOM 444 CA LYS A 28 6.924 7.193 -29.412 1.00 0.00 C ATOM 445 C LYS A 28 6.293 8.479 -29.948 1.00 0.00 C ATOM 446 O LYS A 28 6.932 9.230 -30.683 1.00 0.00 O ATOM 447 CB LYS A 28 8.347 6.949 -29.920 1.00 0.00 C ATOM 448 CG LYS A 28 9.315 6.730 -28.755 1.00 0.00 C ATOM 449 CD LYS A 28 10.493 7.703 -28.831 1.00 0.00 C ATOM 450 CE LYS A 28 11.814 6.989 -28.536 1.00 0.00 C ATOM 451 NZ LYS A 28 12.956 7.780 -29.045 1.00 0.00 N ATOM 0 H LYS A 28 5.132 6.318 -30.053 1.00 0.00 H new ATOM 0 HA LYS A 28 7.010 7.306 -28.331 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.359 6.078 -30.576 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.676 7.801 -30.515 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.789 6.864 -27.810 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.684 5.705 -28.772 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.533 8.154 -29.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.346 8.514 -28.117 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.920 6.837 -27.462 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.812 6.002 -28.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.844 7.281 -28.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.862 7.904 -30.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.966 8.712 -28.584 1.00 0.00 H new ATOM 465 N GLN A 29 5.045 8.695 -29.558 1.00 0.00 N ATOM 466 CA GLN A 29 4.320 9.877 -29.989 1.00 0.00 C ATOM 467 C GLN A 29 3.893 10.710 -28.778 1.00 0.00 C ATOM 468 O GLN A 29 2.872 10.425 -28.154 1.00 0.00 O ATOM 469 CB GLN A 29 3.111 9.497 -30.847 1.00 0.00 C ATOM 470 CG GLN A 29 3.515 9.306 -32.310 1.00 0.00 C ATOM 471 CD GLN A 29 2.282 9.221 -33.212 1.00 0.00 C ATOM 472 OE1 GLN A 29 1.711 10.218 -33.622 1.00 0.00 O ATOM 473 NE2 GLN A 29 1.906 7.978 -33.498 1.00 0.00 N ATOM 0 H GLN A 29 4.518 8.070 -28.948 1.00 0.00 H new ATOM 0 HA GLN A 29 4.985 10.482 -30.605 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.665 8.578 -30.466 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.350 10.274 -30.775 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.146 10.136 -32.628 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.108 8.397 -32.412 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.429 7.188 -33.121 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.094 7.815 -34.094 1.00 0.00 H new ATOM 482 N TRP A 30 4.696 11.721 -28.483 1.00 0.00 N ATOM 483 CA TRP A 30 4.415 12.596 -27.358 1.00 0.00 C ATOM 484 C TRP A 30 4.100 13.988 -27.909 1.00 0.00 C ATOM 485 O TRP A 30 3.693 14.878 -27.163 1.00 0.00 O ATOM 486 CB TRP A 30 5.574 12.596 -26.359 1.00 0.00 C ATOM 487 CG TRP A 30 5.444 11.546 -25.254 1.00 0.00 C ATOM 488 CD1 TRP A 30 6.122 10.397 -25.124 1.00 0.00 C ATOM 489 CD2 TRP A 30 4.549 11.594 -24.123 1.00 0.00 C ATOM 490 NE1 TRP A 30 5.732 9.705 -23.996 1.00 0.00 N ATOM 491 CE2 TRP A 30 4.745 10.456 -23.368 1.00 0.00 C ATOM 492 CE3 TRP A 30 3.606 12.567 -23.750 1.00 0.00 C ATOM 493 CZ2 TRP A 30 4.034 10.184 -22.193 1.00 0.00 C ATOM 494 CZ3 TRP A 30 2.903 12.281 -22.573 1.00 0.00 C ATOM 495 CH2 TRP A 30 3.089 11.139 -21.802 1.00 0.00 C ATOM 0 H TRP A 30 5.542 11.954 -29.004 1.00 0.00 H new ATOM 0 HA TRP A 30 3.550 12.239 -26.799 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.505 12.427 -26.899 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.646 13.583 -25.902 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.878 10.056 -25.815 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.100 8.807 -23.681 1.00 0.00 H new ATOM 0 HE3 TRP A 30 3.437 13.465 -24.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.206 9.285 -21.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.166 12.997 -22.241 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.506 10.990 -20.905 1.00 0.00 H new ATOM 506 N THR A 31 4.302 14.134 -29.210 1.00 0.00 N ATOM 507 CA THR A 31 4.045 15.403 -29.870 1.00 0.00 C ATOM 508 C THR A 31 2.541 15.610 -30.060 1.00 0.00 C ATOM 509 O THR A 31 2.037 16.719 -29.888 1.00 0.00 O ATOM 510 CB THR A 31 4.831 15.421 -31.182 1.00 0.00 C ATOM 511 OG1 THR A 31 5.619 16.606 -31.098 1.00 0.00 O ATOM 512 CG2 THR A 31 3.935 15.656 -32.399 1.00 0.00 C ATOM 0 H THR A 31 4.641 13.394 -29.825 1.00 0.00 H new ATOM 0 HA THR A 31 4.382 16.241 -29.261 1.00 0.00 H new ATOM 0 HB THR A 31 5.362 14.476 -31.299 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.162 16.696 -31.909 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.543 15.660 -33.303 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.193 14.860 -32.464 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.429 16.616 -32.298 1.00 0.00 H new ATOM 520 N LEU A 32 1.866 14.526 -30.413 1.00 0.00 N ATOM 521 CA LEU A 32 0.430 14.575 -30.628 1.00 0.00 C ATOM 522 C LEU A 32 -0.245 15.187 -29.399 1.00 0.00 C ATOM 523 O LEU A 32 -1.031 16.125 -29.521 1.00 0.00 O ATOM 524 CB LEU A 32 -0.104 13.189 -30.997 1.00 0.00 C ATOM 525 CG LEU A 32 -0.479 12.281 -29.824 1.00 0.00 C ATOM 526 CD1 LEU A 32 -1.731 12.795 -29.111 1.00 0.00 C ATOM 527 CD2 LEU A 32 -0.636 10.830 -30.282 1.00 0.00 C ATOM 0 H LEU A 32 2.287 13.608 -30.556 1.00 0.00 H new ATOM 0 HA LEU A 32 0.193 15.218 -31.475 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.984 13.316 -31.628 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.649 12.680 -31.599 1.00 0.00 H new ATOM 0 HG LEU A 32 0.336 12.304 -29.101 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.976 12.131 -28.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.546 13.799 -28.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.565 12.821 -29.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.903 10.206 -29.429 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.421 10.769 -31.036 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.304 10.479 -30.708 1.00 0.00 H new ATOM 539 N ILE A 33 0.087 14.632 -28.243 1.00 0.00 N ATOM 540 CA ILE A 33 -0.478 15.111 -26.993 1.00 0.00 C ATOM 541 C ILE A 33 -0.483 16.641 -26.995 1.00 0.00 C ATOM 542 O ILE A 33 -1.491 17.263 -26.663 1.00 0.00 O ATOM 543 CB ILE A 33 0.262 14.501 -25.802 1.00 0.00 C ATOM 544 CG1 ILE A 33 0.072 12.983 -25.757 1.00 0.00 C ATOM 545 CG2 ILE A 33 -0.160 15.170 -24.492 1.00 0.00 C ATOM 546 CD1 ILE A 33 1.180 12.269 -26.534 1.00 0.00 C ATOM 0 H ILE A 33 0.740 13.855 -28.146 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.514 14.788 -26.894 1.00 0.00 H new ATOM 0 HB ILE A 33 1.328 14.689 -25.931 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.072 12.643 -24.721 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.899 12.722 -26.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.381 14.717 -23.661 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.069 16.235 -24.537 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.231 15.035 -24.343 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.022 11.192 -26.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.161 12.593 -27.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.147 12.513 -26.095 1.00 0.00 H new ATOM 558 N ALA A 34 0.655 17.205 -27.373 1.00 0.00 N ATOM 559 CA ALA A 34 0.794 18.650 -27.423 1.00 0.00 C ATOM 560 C ALA A 34 0.198 19.171 -28.732 1.00 0.00 C ATOM 561 O ALA A 34 -0.192 20.334 -28.821 1.00 0.00 O ATOM 562 CB ALA A 34 2.269 19.027 -27.263 1.00 0.00 C ATOM 0 H ALA A 34 1.489 16.687 -27.648 1.00 0.00 H new ATOM 0 HA ALA A 34 0.247 19.116 -26.604 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.374 20.111 -27.301 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.636 18.660 -26.305 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.849 18.579 -28.070 1.00 0.00 H new ATOM 568 N LYS A 35 0.146 18.285 -29.715 1.00 0.00 N ATOM 569 CA LYS A 35 -0.396 18.641 -31.015 1.00 0.00 C ATOM 570 C LYS A 35 -1.920 18.742 -30.917 1.00 0.00 C ATOM 571 O LYS A 35 -2.529 19.612 -31.538 1.00 0.00 O ATOM 572 CB LYS A 35 0.087 17.659 -32.084 1.00 0.00 C ATOM 573 CG LYS A 35 0.290 18.365 -33.426 1.00 0.00 C ATOM 574 CD LYS A 35 1.192 17.543 -34.348 1.00 0.00 C ATOM 575 CE LYS A 35 0.432 17.089 -35.597 1.00 0.00 C ATOM 576 NZ LYS A 35 1.369 16.865 -36.720 1.00 0.00 N ATOM 0 H LYS A 35 0.470 17.321 -29.637 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.030 19.620 -31.325 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.023 17.200 -31.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.639 16.854 -32.199 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.675 18.526 -33.906 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.732 19.348 -33.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.057 18.138 -34.641 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.570 16.673 -33.812 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.115 16.171 -35.383 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.305 17.842 -35.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.838 16.558 -37.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.872 17.750 -36.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.056 16.130 -36.457 1.00 0.00 H new ATOM 590 N HIS A 36 -2.492 17.840 -30.133 1.00 0.00 N ATOM 591 CA HIS A 36 -3.932 17.817 -29.946 1.00 0.00 C ATOM 592 C HIS A 36 -4.323 18.806 -28.847 1.00 0.00 C ATOM 593 O HIS A 36 -5.094 19.734 -29.087 1.00 0.00 O ATOM 594 CB HIS A 36 -4.421 16.395 -29.664 1.00 0.00 C ATOM 595 CG HIS A 36 -4.178 15.426 -30.797 1.00 0.00 C ATOM 596 ND1 HIS A 36 -5.170 14.608 -31.309 1.00 0.00 N ATOM 597 CD2 HIS A 36 -3.048 15.155 -31.511 1.00 0.00 C ATOM 598 CE1 HIS A 36 -4.649 13.880 -32.286 1.00 0.00 C ATOM 599 NE2 HIS A 36 -3.334 14.221 -32.410 1.00 0.00 N ATOM 0 H HIS A 36 -1.984 17.120 -29.620 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.426 18.134 -30.865 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.925 16.022 -28.768 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.489 16.425 -29.448 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.084 15.621 -31.369 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.173 13.146 -32.880 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.678 13.824 -33.083 1.00 0.00 H new ATOM 607 N LEU A 37 -3.773 18.575 -27.664 1.00 0.00 N ATOM 608 CA LEU A 37 -4.054 19.434 -26.526 1.00 0.00 C ATOM 609 C LEU A 37 -3.065 20.601 -26.517 1.00 0.00 C ATOM 610 O LEU A 37 -2.119 20.611 -25.730 1.00 0.00 O ATOM 611 CB LEU A 37 -4.060 18.622 -25.230 1.00 0.00 C ATOM 612 CG LEU A 37 -4.498 17.162 -25.355 1.00 0.00 C ATOM 613 CD1 LEU A 37 -4.541 16.483 -23.984 1.00 0.00 C ATOM 614 CD2 LEU A 37 -5.834 17.051 -26.092 1.00 0.00 C ATOM 0 H LEU A 37 -3.134 17.805 -27.469 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.053 19.863 -26.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.056 18.644 -24.806 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.718 19.118 -24.517 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.756 16.633 -25.953 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.855 15.446 -24.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.550 16.513 -23.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.249 17.006 -23.341 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.122 16.002 -26.167 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.599 17.599 -25.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.734 17.472 -27.092 1.00 0.00 H new ATOM 626 N LYS A 38 -3.315 21.555 -27.402 1.00 0.00 N ATOM 627 CA LYS A 38 -2.458 22.724 -27.505 1.00 0.00 C ATOM 628 C LYS A 38 -2.854 23.738 -26.431 1.00 0.00 C ATOM 629 O LYS A 38 -3.548 23.396 -25.474 1.00 0.00 O ATOM 630 CB LYS A 38 -2.491 23.288 -28.927 1.00 0.00 C ATOM 631 CG LYS A 38 -1.125 23.152 -29.603 1.00 0.00 C ATOM 632 CD LYS A 38 -1.215 22.265 -30.846 1.00 0.00 C ATOM 633 CE LYS A 38 0.070 22.349 -31.672 1.00 0.00 C ATOM 634 NZ LYS A 38 0.190 23.677 -32.313 1.00 0.00 N ATOM 0 H LYS A 38 -4.099 21.542 -28.054 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.419 22.453 -27.319 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.245 22.762 -29.513 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.784 24.338 -28.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.753 24.138 -29.882 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.408 22.728 -28.900 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.393 21.232 -30.548 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.065 22.572 -31.456 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.933 22.169 -31.031 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.071 21.570 -32.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.877 23.626 -33.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.736 23.967 -32.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.514 24.373 -31.611 1.00 0.00 H new ATOM 648 N GLY A 39 -2.397 24.967 -26.625 1.00 0.00 N ATOM 649 CA GLY A 39 -2.695 26.034 -25.685 1.00 0.00 C ATOM 650 C GLY A 39 -1.662 26.075 -24.557 1.00 0.00 C ATOM 651 O GLY A 39 -1.333 27.147 -24.052 1.00 0.00 O ATOM 0 H GLY A 39 -1.822 25.247 -27.420 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.707 26.991 -26.207 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.691 25.887 -25.266 1.00 0.00 H new ATOM 655 N ARG A 40 -1.179 24.895 -24.196 1.00 0.00 N ATOM 656 CA ARG A 40 -0.190 24.783 -23.138 1.00 0.00 C ATOM 657 C ARG A 40 0.675 23.539 -23.349 1.00 0.00 C ATOM 658 O ARG A 40 0.544 22.852 -24.361 1.00 0.00 O ATOM 659 CB ARG A 40 -0.860 24.703 -21.765 1.00 0.00 C ATOM 660 CG ARG A 40 -1.248 26.095 -21.261 1.00 0.00 C ATOM 661 CD ARG A 40 -2.719 26.394 -21.557 1.00 0.00 C ATOM 662 NE ARG A 40 -3.443 26.669 -20.295 1.00 0.00 N ATOM 663 CZ ARG A 40 -3.957 25.719 -19.502 1.00 0.00 C ATOM 664 NH1 ARG A 40 -3.830 24.427 -19.835 1.00 0.00 N ATOM 665 NH2 ARG A 40 -4.598 26.061 -18.376 1.00 0.00 N ATOM 0 H ARG A 40 -1.455 24.008 -24.618 1.00 0.00 H new ATOM 0 HA ARG A 40 0.436 25.675 -23.173 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.748 24.074 -21.826 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.183 24.230 -21.053 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.069 26.160 -20.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.618 26.847 -21.736 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.797 27.252 -22.225 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.175 25.547 -22.070 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.558 27.642 -20.012 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.342 24.167 -20.692 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.221 23.704 -19.231 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.695 27.044 -18.123 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.989 25.338 -17.772 1.00 0.00 H new ATOM 679 N LEU A 41 1.541 23.288 -22.378 1.00 0.00 N ATOM 680 CA LEU A 41 2.427 22.139 -22.445 1.00 0.00 C ATOM 681 C LEU A 41 1.609 20.858 -22.270 1.00 0.00 C ATOM 682 O LEU A 41 0.677 20.818 -21.469 1.00 0.00 O ATOM 683 CB LEU A 41 3.569 22.283 -21.436 1.00 0.00 C ATOM 684 CG LEU A 41 4.845 22.947 -21.957 1.00 0.00 C ATOM 685 CD1 LEU A 41 5.631 21.993 -22.857 1.00 0.00 C ATOM 686 CD2 LEU A 41 4.527 24.268 -22.661 1.00 0.00 C ATOM 0 H LEU A 41 1.648 23.861 -21.541 1.00 0.00 H new ATOM 0 HA LEU A 41 2.903 22.082 -23.424 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.205 22.859 -20.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.825 21.291 -21.064 1.00 0.00 H new ATOM 0 HG LEU A 41 5.481 23.182 -21.104 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.533 22.490 -23.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.906 21.103 -22.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.014 21.705 -23.709 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.451 24.720 -23.022 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.862 24.080 -23.504 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.041 24.946 -21.960 1.00 0.00 H new ATOM 698 N GLY A 42 1.989 19.842 -23.032 1.00 0.00 N ATOM 699 CA GLY A 42 1.302 18.563 -22.970 1.00 0.00 C ATOM 700 C GLY A 42 0.850 18.252 -21.542 1.00 0.00 C ATOM 701 O GLY A 42 1.641 18.336 -20.604 1.00 0.00 O ATOM 0 H GLY A 42 2.763 19.879 -23.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.438 18.578 -23.634 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.964 17.773 -23.326 1.00 0.00 H new ATOM 705 N LYS A 43 -0.421 17.898 -21.422 1.00 0.00 N ATOM 706 CA LYS A 43 -0.988 17.573 -20.124 1.00 0.00 C ATOM 707 C LYS A 43 -0.015 16.674 -19.358 1.00 0.00 C ATOM 708 O LYS A 43 -0.017 15.457 -19.537 1.00 0.00 O ATOM 709 CB LYS A 43 -2.385 16.971 -20.285 1.00 0.00 C ATOM 710 CG LYS A 43 -2.910 16.439 -18.950 1.00 0.00 C ATOM 711 CD LYS A 43 -3.530 17.563 -18.117 1.00 0.00 C ATOM 712 CE LYS A 43 -4.584 17.014 -17.153 1.00 0.00 C ATOM 713 NZ LYS A 43 -4.141 17.182 -15.751 1.00 0.00 N ATOM 0 H LYS A 43 -1.074 17.829 -22.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.123 18.477 -19.530 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.068 17.727 -20.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.355 16.163 -21.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.654 15.663 -19.131 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.095 15.976 -18.393 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.750 18.076 -17.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.985 18.301 -18.777 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.531 17.532 -17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.761 15.959 -17.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.868 16.804 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.249 16.668 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.995 18.192 -15.552 1.00 0.00 H new ATOM 727 N GLN A 44 0.793 17.309 -18.521 1.00 0.00 N ATOM 728 CA GLN A 44 1.768 16.582 -17.727 1.00 0.00 C ATOM 729 C GLN A 44 2.382 15.446 -18.549 1.00 0.00 C ATOM 730 O GLN A 44 2.013 14.285 -18.382 1.00 0.00 O ATOM 731 CB GLN A 44 1.139 16.048 -16.439 1.00 0.00 C ATOM 732 CG GLN A 44 1.818 16.649 -15.207 1.00 0.00 C ATOM 733 CD GLN A 44 1.522 18.146 -15.094 1.00 0.00 C ATOM 734 OE1 GLN A 44 0.487 18.635 -15.517 1.00 0.00 O ATOM 735 NE2 GLN A 44 2.487 18.845 -14.503 1.00 0.00 N ATOM 0 H GLN A 44 0.792 18.319 -18.376 1.00 0.00 H new ATOM 0 HA GLN A 44 2.564 17.272 -17.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.075 16.285 -16.424 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.224 14.962 -16.412 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.470 16.137 -14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.895 16.491 -15.267 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.329 18.373 -14.172 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.385 19.853 -14.381 1.00 0.00 H new ATOM 744 N CYS A 45 3.307 15.822 -19.420 1.00 0.00 N ATOM 745 CA CYS A 45 3.975 14.850 -20.268 1.00 0.00 C ATOM 746 C CYS A 45 4.446 13.689 -19.390 1.00 0.00 C ATOM 747 O CYS A 45 5.517 13.757 -18.788 1.00 0.00 O ATOM 748 CB CYS A 45 5.130 15.480 -21.050 1.00 0.00 C ATOM 749 SG CYS A 45 6.355 16.192 -19.892 1.00 0.00 S ATOM 0 H CYS A 45 3.609 16.787 -19.557 1.00 0.00 H new ATOM 0 HA CYS A 45 3.277 14.477 -21.017 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.606 14.728 -21.680 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.750 16.257 -21.713 1.00 0.00 H new ATOM 0 HG CYS A 45 6.524 15.383 -18.888 1.00 0.00 H new ATOM 755 N ARG A 46 3.624 12.651 -19.345 1.00 0.00 N ATOM 756 CA ARG A 46 3.944 11.477 -18.551 1.00 0.00 C ATOM 757 C ARG A 46 3.671 11.748 -17.070 1.00 0.00 C ATOM 758 O ARG A 46 4.299 12.618 -16.469 1.00 0.00 O ATOM 759 CB ARG A 46 5.409 11.075 -18.727 1.00 0.00 C ATOM 760 CG ARG A 46 5.810 11.096 -20.204 1.00 0.00 C ATOM 761 CD ARG A 46 7.233 11.629 -20.378 1.00 0.00 C ATOM 762 NE ARG A 46 8.191 10.502 -20.446 1.00 0.00 N ATOM 763 CZ ARG A 46 9.523 10.648 -20.462 1.00 0.00 C ATOM 764 NH1 ARG A 46 10.063 11.873 -20.415 1.00 0.00 N ATOM 765 NH2 ARG A 46 10.314 9.569 -20.525 1.00 0.00 N ATOM 0 H ARG A 46 2.737 12.599 -19.846 1.00 0.00 H new ATOM 0 HA ARG A 46 3.311 10.660 -18.898 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.047 11.756 -18.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.568 10.077 -18.318 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.742 10.090 -20.617 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.113 11.719 -20.765 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.297 12.227 -21.287 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.489 12.285 -19.546 1.00 0.00 H new ATOM 0 HE ARG A 46 7.813 9.555 -20.483 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.460 12.695 -20.367 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.077 11.984 -20.427 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.903 8.636 -20.561 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.328 9.680 -20.537 1.00 0.00 H new ATOM 779 N GLU A 47 2.734 10.987 -16.524 1.00 0.00 N ATOM 780 CA GLU A 47 2.370 11.134 -15.125 1.00 0.00 C ATOM 781 C GLU A 47 1.052 10.412 -14.841 1.00 0.00 C ATOM 782 O GLU A 47 0.824 9.945 -13.726 1.00 0.00 O ATOM 783 CB GLU A 47 2.283 12.610 -14.734 1.00 0.00 C ATOM 784 CG GLU A 47 3.425 12.996 -13.791 1.00 0.00 C ATOM 785 CD GLU A 47 2.956 14.017 -12.752 1.00 0.00 C ATOM 786 OE1 GLU A 47 2.069 13.648 -11.953 1.00 0.00 O ATOM 787 OE2 GLU A 47 3.496 15.144 -12.781 1.00 0.00 O ATOM 0 H GLU A 47 2.215 10.266 -17.026 1.00 0.00 H new ATOM 0 HA GLU A 47 3.150 10.677 -14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.321 13.230 -15.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.326 12.806 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.802 12.106 -13.287 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.252 13.411 -14.367 1.00 0.00 H new ATOM 794 N ARG A 48 0.217 10.345 -15.868 1.00 0.00 N ATOM 795 CA ARG A 48 -1.073 9.688 -15.742 1.00 0.00 C ATOM 796 C ARG A 48 -0.890 8.172 -15.651 1.00 0.00 C ATOM 797 O ARG A 48 -1.545 7.511 -14.847 1.00 0.00 O ATOM 798 CB ARG A 48 -1.976 10.015 -16.933 1.00 0.00 C ATOM 799 CG ARG A 48 -3.418 10.249 -16.480 1.00 0.00 C ATOM 800 CD ARG A 48 -4.361 9.212 -17.094 1.00 0.00 C ATOM 801 NE ARG A 48 -5.311 8.723 -16.071 1.00 0.00 N ATOM 802 CZ ARG A 48 -6.074 7.631 -16.215 1.00 0.00 C ATOM 803 NH1 ARG A 48 -6.002 6.907 -17.341 1.00 0.00 N ATOM 804 NH2 ARG A 48 -6.908 7.262 -15.234 1.00 0.00 N ATOM 0 H ARG A 48 0.409 10.735 -16.791 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.545 10.056 -14.831 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.603 10.903 -17.444 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.945 9.197 -17.653 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.474 10.198 -15.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.736 11.251 -16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.907 9.654 -17.928 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.786 8.378 -17.496 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.390 9.250 -15.201 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.366 7.187 -18.088 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.583 6.076 -17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.962 7.812 -14.377 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.489 6.431 -15.344 1.00 0.00 H new ATOM 818 N TRP A 49 0.004 7.664 -16.487 1.00 0.00 N ATOM 819 CA TRP A 49 0.282 6.238 -16.511 1.00 0.00 C ATOM 820 C TRP A 49 1.686 6.020 -15.943 1.00 0.00 C ATOM 821 O TRP A 49 2.002 4.934 -15.460 1.00 0.00 O ATOM 822 CB TRP A 49 0.112 5.670 -17.921 1.00 0.00 C ATOM 823 CG TRP A 49 0.376 6.684 -19.036 1.00 0.00 C ATOM 824 CD1 TRP A 49 1.355 7.597 -19.107 1.00 0.00 C ATOM 825 CD2 TRP A 49 -0.393 6.852 -20.246 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.273 8.338 -20.268 1.00 0.00 N ATOM 827 CE2 TRP A 49 0.176 7.870 -20.983 1.00 0.00 C ATOM 828 CE3 TRP A 49 -1.532 6.165 -20.702 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -0.325 8.294 -22.220 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -2.020 6.601 -21.940 1.00 0.00 C ATOM 831 CH2 TRP A 49 -1.459 7.624 -22.694 1.00 0.00 C ATOM 0 H TRP A 49 0.545 8.215 -17.153 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.432 5.695 -15.891 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.789 4.824 -18.045 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -0.902 5.285 -18.027 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.113 7.735 -18.350 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.901 9.090 -20.550 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.994 5.365 -20.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.138 9.094 -22.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.895 6.107 -22.337 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.896 7.901 -23.642 1.00 0.00 H new ATOM 842 N HIS A 50 2.490 7.070 -16.020 1.00 0.00 N ATOM 843 CA HIS A 50 3.853 7.007 -15.520 1.00 0.00 C ATOM 844 C HIS A 50 3.834 6.764 -14.009 1.00 0.00 C ATOM 845 O HIS A 50 4.641 5.993 -13.491 1.00 0.00 O ATOM 846 CB HIS A 50 4.633 8.264 -15.908 1.00 0.00 C ATOM 847 CG HIS A 50 5.819 7.998 -16.804 1.00 0.00 C ATOM 848 ND1 HIS A 50 7.123 8.261 -16.420 1.00 0.00 N ATOM 849 CD2 HIS A 50 5.886 7.490 -18.068 1.00 0.00 C ATOM 850 CE1 HIS A 50 7.929 7.923 -17.416 1.00 0.00 C ATOM 851 NE2 HIS A 50 7.160 7.446 -18.437 1.00 0.00 N ATOM 0 H HIS A 50 2.224 7.969 -16.421 1.00 0.00 H new ATOM 0 HA HIS A 50 4.375 6.169 -15.982 1.00 0.00 H new ATOM 0 HB2 HIS A 50 3.959 8.957 -16.411 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.980 8.759 -15.001 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.044 7.176 -18.668 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.005 8.010 -17.419 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.507 7.111 -19.336 1.00 0.00 H new ATOM 859 N ASN A 51 2.905 7.435 -13.345 1.00 0.00 N ATOM 860 CA ASN A 51 2.770 7.302 -11.905 1.00 0.00 C ATOM 861 C ASN A 51 1.505 6.504 -11.587 1.00 0.00 C ATOM 862 O ASN A 51 0.979 5.798 -12.446 1.00 0.00 O ATOM 863 CB ASN A 51 2.646 8.672 -11.234 1.00 0.00 C ATOM 864 CG ASN A 51 3.904 9.512 -11.465 1.00 0.00 C ATOM 865 OD1 ASN A 51 4.307 9.545 -12.732 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 4.471 10.091 -10.554 1.00 0.00 N flip ATOM 0 H ASN A 51 2.238 8.073 -13.778 1.00 0.00 H new ATOM 0 HA ASN A 51 3.659 6.795 -11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.776 9.197 -11.629 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.482 8.543 -10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.108 10.024 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.308 10.643 -10.743 1.00 0.00 H new ATOM 873 N HIS A 52 1.052 6.641 -10.349 1.00 0.00 N ATOM 874 CA HIS A 52 -0.142 5.941 -9.907 1.00 0.00 C ATOM 875 C HIS A 52 0.212 4.494 -9.557 1.00 0.00 C ATOM 876 O HIS A 52 -0.150 4.004 -8.488 1.00 0.00 O ATOM 877 CB HIS A 52 -1.251 6.044 -10.955 1.00 0.00 C ATOM 878 CG HIS A 52 -1.442 7.434 -11.514 1.00 0.00 C ATOM 879 ND1 HIS A 52 -2.412 8.303 -11.047 1.00 0.00 N ATOM 880 CD2 HIS A 52 -0.776 8.095 -12.503 1.00 0.00 C ATOM 881 CE1 HIS A 52 -2.326 9.433 -11.732 1.00 0.00 C ATOM 882 NE2 HIS A 52 -1.312 9.302 -12.635 1.00 0.00 N ATOM 0 H HIS A 52 1.491 7.227 -9.638 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.531 6.412 -9.004 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.026 5.362 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.189 5.710 -10.511 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.048 7.703 -13.081 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.949 10.305 -11.599 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.015 10.014 -13.302 1.00 0.00 H new ATOM 890 N LEU A 53 0.914 3.851 -10.478 1.00 0.00 N ATOM 891 CA LEU A 53 1.321 2.470 -10.281 1.00 0.00 C ATOM 892 C LEU A 53 2.781 2.307 -10.706 1.00 0.00 C ATOM 893 O LEU A 53 3.062 1.822 -11.801 1.00 0.00 O ATOM 894 CB LEU A 53 0.361 1.521 -11.001 1.00 0.00 C ATOM 895 CG LEU A 53 0.279 0.099 -10.443 1.00 0.00 C ATOM 896 CD1 LEU A 53 -1.100 -0.175 -9.841 1.00 0.00 C ATOM 897 CD2 LEU A 53 0.654 -0.931 -11.510 1.00 0.00 C ATOM 0 H LEU A 53 1.212 4.261 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 53 1.265 2.203 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.637 1.958 -10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.657 1.462 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 53 1.006 0.006 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.131 -1.193 -9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.290 0.529 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.863 -0.057 -10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.588 -1.933 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.031 -0.847 -12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.673 -0.748 -11.850 1.00 0.00 H new ATOM 909 N ASN A 54 3.673 2.721 -9.818 1.00 0.00 N ATOM 910 CA ASN A 54 5.097 2.627 -10.087 1.00 0.00 C ATOM 911 C ASN A 54 5.874 3.257 -8.929 1.00 0.00 C ATOM 912 O ASN A 54 6.475 4.319 -9.085 1.00 0.00 O ATOM 913 CB ASN A 54 5.466 3.378 -11.368 1.00 0.00 C ATOM 914 CG ASN A 54 6.685 2.745 -12.044 1.00 0.00 C ATOM 915 OD1 ASN A 54 7.408 1.953 -11.462 1.00 0.00 O ATOM 916 ND2 ASN A 54 6.871 3.138 -13.301 1.00 0.00 N ATOM 0 H ASN A 54 3.436 3.123 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 54 5.349 1.573 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.620 3.370 -12.055 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.677 4.422 -11.134 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.657 2.773 -13.838 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.227 3.804 -13.728 1.00 0.00 H new ATOM 923 N PRO A 55 5.835 2.558 -7.764 1.00 0.00 N ATOM 924 CA PRO A 55 6.528 3.037 -6.580 1.00 0.00 C ATOM 925 C PRO A 55 8.037 2.818 -6.701 1.00 0.00 C ATOM 926 O PRO A 55 8.563 2.696 -7.806 1.00 0.00 O ATOM 927 CB PRO A 55 5.908 2.270 -5.423 1.00 0.00 C ATOM 928 CG PRO A 55 5.223 1.063 -6.043 1.00 0.00 C ATOM 929 CD PRO A 55 5.134 1.297 -7.542 1.00 0.00 C ATOM 0 HA PRO A 55 6.416 4.111 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.669 1.962 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.193 2.890 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.786 0.154 -5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.228 0.928 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.599 0.483 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.097 1.357 -7.872 1.00 0.00 H new ATOM 937 N GLU A 56 8.691 2.775 -5.550 1.00 0.00 N ATOM 938 CA GLU A 56 10.130 2.572 -5.513 1.00 0.00 C ATOM 939 C GLU A 56 10.514 1.708 -4.311 1.00 0.00 C ATOM 940 O GLU A 56 9.824 1.714 -3.292 1.00 0.00 O ATOM 941 CB GLU A 56 10.871 3.910 -5.486 1.00 0.00 C ATOM 942 CG GLU A 56 11.915 3.982 -6.603 1.00 0.00 C ATOM 943 CD GLU A 56 13.007 5.000 -6.268 1.00 0.00 C ATOM 944 OE1 GLU A 56 13.187 5.263 -5.060 1.00 0.00 O ATOM 945 OE2 GLU A 56 13.637 5.492 -7.229 1.00 0.00 O ATOM 0 H GLU A 56 8.251 2.877 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 56 10.427 2.048 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.158 4.727 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.358 4.041 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.362 2.999 -6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.432 4.257 -7.540 1.00 0.00 H new ATOM 952 N VAL A 57 11.613 0.986 -4.469 1.00 0.00 N ATOM 953 CA VAL A 57 12.097 0.118 -3.408 1.00 0.00 C ATOM 954 C VAL A 57 13.447 0.637 -2.907 1.00 0.00 C ATOM 955 O VAL A 57 13.947 0.184 -1.878 1.00 0.00 O ATOM 956 CB VAL A 57 12.159 -1.328 -3.903 1.00 0.00 C ATOM 957 CG1 VAL A 57 13.171 -2.142 -3.093 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.776 -1.980 -3.865 1.00 0.00 C ATOM 0 H VAL A 57 12.182 0.984 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 57 11.410 0.129 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 57 12.494 -1.313 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.195 -3.166 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.160 -1.696 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.879 -2.145 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.848 -3.007 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.400 -1.977 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.093 -1.421 -4.504 1.00 0.00 H new ATOM 968 N LYS A 58 13.998 1.580 -3.657 1.00 0.00 N ATOM 969 CA LYS A 58 15.279 2.165 -3.302 1.00 0.00 C ATOM 970 C LYS A 58 15.702 3.155 -4.389 1.00 0.00 C ATOM 971 O LYS A 58 14.904 3.508 -5.256 1.00 0.00 O ATOM 972 CB LYS A 58 16.312 1.069 -3.032 1.00 0.00 C ATOM 973 CG LYS A 58 17.010 1.291 -1.689 1.00 0.00 C ATOM 974 CD LYS A 58 16.292 0.538 -0.567 1.00 0.00 C ATOM 975 CE LYS A 58 17.131 0.531 0.712 1.00 0.00 C ATOM 976 NZ LYS A 58 17.003 1.822 1.424 1.00 0.00 N ATOM 0 H LYS A 58 13.580 1.953 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 58 15.196 2.728 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.823 0.095 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.052 1.057 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.045 0.955 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.034 2.356 -1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.327 1.005 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.093 -0.487 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.808 -0.283 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.177 0.347 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.579 1.800 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.333 2.592 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.007 1.983 1.675 1.00 0.00 H new ATOM 990 N LYS A 59 16.956 3.575 -4.307 1.00 0.00 N ATOM 991 CA LYS A 59 17.494 4.517 -5.273 1.00 0.00 C ATOM 992 C LYS A 59 17.737 3.797 -6.601 1.00 0.00 C ATOM 993 O LYS A 59 18.863 3.763 -7.095 1.00 0.00 O ATOM 994 CB LYS A 59 18.738 5.208 -4.711 1.00 0.00 C ATOM 995 CG LYS A 59 18.485 6.701 -4.492 1.00 0.00 C ATOM 996 CD LYS A 59 19.132 7.182 -3.191 1.00 0.00 C ATOM 997 CE LYS A 59 19.061 8.706 -3.074 1.00 0.00 C ATOM 998 NZ LYS A 59 20.234 9.224 -2.335 1.00 0.00 N ATOM 0 H LYS A 59 17.615 3.280 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 59 16.776 5.313 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 19.022 4.742 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.574 5.074 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.885 7.268 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.412 6.891 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.628 6.724 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.173 6.859 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.024 9.152 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.144 8.995 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.170 10.260 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.252 8.812 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.105 8.964 -2.840 1.00 0.00 H new ATOM 1012 N SER A 60 16.663 3.239 -7.140 1.00 0.00 N ATOM 1013 CA SER A 60 16.746 2.522 -8.400 1.00 0.00 C ATOM 1014 C SER A 60 15.509 2.816 -9.252 1.00 0.00 C ATOM 1015 O SER A 60 15.431 3.859 -9.900 1.00 0.00 O ATOM 1016 CB SER A 60 16.884 1.016 -8.169 1.00 0.00 C ATOM 1017 OG SER A 60 16.234 0.597 -6.972 1.00 0.00 O ATOM 0 H SER A 60 15.731 3.269 -6.727 1.00 0.00 H new ATOM 0 HA SER A 60 17.635 2.864 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.461 0.479 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.940 0.752 -8.119 1.00 0.00 H new ATOM 0 HG SER A 60 16.699 -0.183 -6.603 1.00 0.00 H new ATOM 1023 N SER A 61 14.573 1.879 -9.223 1.00 0.00 N ATOM 1024 CA SER A 61 13.344 2.025 -9.984 1.00 0.00 C ATOM 1025 C SER A 61 12.676 0.660 -10.167 1.00 0.00 C ATOM 1026 O SER A 61 12.161 0.356 -11.241 1.00 0.00 O ATOM 1027 CB SER A 61 13.612 2.671 -11.345 1.00 0.00 C ATOM 1028 OG SER A 61 13.180 4.028 -11.386 1.00 0.00 O ATOM 0 H SER A 61 14.641 1.016 -8.684 1.00 0.00 H new ATOM 0 HA SER A 61 12.673 2.679 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.678 2.623 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.100 2.104 -12.123 1.00 0.00 H new ATOM 0 HG SER A 61 13.797 4.584 -10.866 1.00 0.00 H new ATOM 1034 N TRP A 62 12.707 -0.125 -9.100 1.00 0.00 N ATOM 1035 CA TRP A 62 12.112 -1.450 -9.129 1.00 0.00 C ATOM 1036 C TRP A 62 10.758 -1.376 -8.419 1.00 0.00 C ATOM 1037 O TRP A 62 10.283 -0.289 -8.095 1.00 0.00 O ATOM 1038 CB TRP A 62 13.053 -2.488 -8.515 1.00 0.00 C ATOM 1039 CG TRP A 62 14.421 -2.567 -9.195 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.551 -1.933 -8.852 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.760 -3.355 -10.356 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.589 -2.253 -9.703 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.092 -3.145 -10.647 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.967 -4.216 -11.135 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.749 -3.760 -11.720 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.638 -4.823 -12.203 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.979 -4.622 -12.509 1.00 0.00 C ATOM 0 H TRP A 62 13.135 0.131 -8.210 1.00 0.00 H new ATOM 0 HA TRP A 62 11.949 -1.777 -10.156 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.196 -2.255 -7.460 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.578 -3.468 -8.563 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.638 -1.257 -8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.545 -1.900 -9.650 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.923 -4.395 -10.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.793 -3.579 -11.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.074 -5.495 -12.834 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.425 -5.129 -13.352 1.00 0.00 H new ATOM 1058 N THR A 63 10.177 -2.546 -8.199 1.00 0.00 N ATOM 1059 CA THR A 63 8.887 -2.627 -7.533 1.00 0.00 C ATOM 1060 C THR A 63 8.877 -3.782 -6.530 1.00 0.00 C ATOM 1061 O THR A 63 9.925 -4.343 -6.213 1.00 0.00 O ATOM 1062 CB THR A 63 7.807 -2.748 -8.609 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.396 -3.582 -9.602 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.554 -1.425 -9.337 1.00 0.00 C ATOM 0 H THR A 63 10.575 -3.445 -8.470 1.00 0.00 H new ATOM 0 HA THR A 63 8.686 -1.729 -6.949 1.00 0.00 H new ATOM 0 HB THR A 63 6.880 -3.095 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.159 -3.248 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.779 -1.567 -10.090 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.230 -0.671 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.473 -1.094 -9.820 1.00 0.00 H new ATOM 1072 N GLU A 64 7.682 -4.102 -6.058 1.00 0.00 N ATOM 1073 CA GLU A 64 7.521 -5.180 -5.096 1.00 0.00 C ATOM 1074 C GLU A 64 7.679 -6.536 -5.788 1.00 0.00 C ATOM 1075 O GLU A 64 8.699 -7.204 -5.625 1.00 0.00 O ATOM 1076 CB GLU A 64 6.171 -5.082 -4.383 1.00 0.00 C ATOM 1077 CG GLU A 64 6.277 -4.219 -3.124 1.00 0.00 C ATOM 1078 CD GLU A 64 5.151 -4.544 -2.141 1.00 0.00 C ATOM 1079 OE1 GLU A 64 3.994 -4.623 -2.608 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.472 -4.706 -0.944 1.00 0.00 O ATOM 0 H GLU A 64 6.815 -3.634 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 64 8.301 -5.086 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.429 -4.656 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.824 -6.080 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.242 -4.385 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.234 -3.165 -3.397 1.00 0.00 H new ATOM 1087 N GLU A 65 6.655 -6.901 -6.545 1.00 0.00 N ATOM 1088 CA GLU A 65 6.668 -8.165 -7.261 1.00 0.00 C ATOM 1089 C GLU A 65 8.011 -8.362 -7.966 1.00 0.00 C ATOM 1090 O GLU A 65 8.568 -9.459 -7.952 1.00 0.00 O ATOM 1091 CB GLU A 65 5.509 -8.242 -8.258 1.00 0.00 C ATOM 1092 CG GLU A 65 4.162 -8.115 -7.543 1.00 0.00 C ATOM 1093 CD GLU A 65 3.094 -8.969 -8.230 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.295 -10.202 -8.273 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.102 -8.369 -8.697 1.00 0.00 O ATOM 0 H GLU A 65 5.811 -6.344 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 65 6.537 -8.971 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.608 -7.448 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.551 -9.188 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.267 -8.425 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.848 -7.071 -7.534 1.00 0.00 H new ATOM 1102 N GLU A 66 8.493 -7.283 -8.565 1.00 0.00 N ATOM 1103 CA GLU A 66 9.760 -7.324 -9.274 1.00 0.00 C ATOM 1104 C GLU A 66 10.892 -7.705 -8.317 1.00 0.00 C ATOM 1105 O GLU A 66 11.931 -8.203 -8.747 1.00 0.00 O ATOM 1106 CB GLU A 66 10.049 -5.987 -9.959 1.00 0.00 C ATOM 1107 CG GLU A 66 9.187 -5.815 -11.212 1.00 0.00 C ATOM 1108 CD GLU A 66 9.931 -5.016 -12.284 1.00 0.00 C ATOM 1109 OE1 GLU A 66 11.136 -5.292 -12.464 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.277 -4.146 -12.899 1.00 0.00 O ATOM 0 H GLU A 66 8.029 -6.375 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 66 9.694 -8.086 -10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.855 -5.169 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.104 -5.933 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.914 -6.794 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.259 -5.306 -10.952 1.00 0.00 H new ATOM 1117 N ASP A 67 10.651 -7.456 -7.039 1.00 0.00 N ATOM 1118 CA ASP A 67 11.637 -7.767 -6.017 1.00 0.00 C ATOM 1119 C ASP A 67 11.593 -9.265 -5.711 1.00 0.00 C ATOM 1120 O ASP A 67 12.575 -9.975 -5.924 1.00 0.00 O ATOM 1121 CB ASP A 67 11.343 -7.011 -4.720 1.00 0.00 C ATOM 1122 CG ASP A 67 12.562 -6.749 -3.834 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.322 -5.817 -4.174 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.707 -7.488 -2.835 1.00 0.00 O ATOM 0 H ASP A 67 9.788 -7.042 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 67 12.617 -7.472 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.883 -6.055 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.610 -7.577 -4.145 1.00 0.00 H new ATOM 1129 N ARG A 68 10.444 -9.703 -5.217 1.00 0.00 N ATOM 1130 CA ARG A 68 10.259 -11.104 -4.880 1.00 0.00 C ATOM 1131 C ARG A 68 10.600 -11.988 -6.081 1.00 0.00 C ATOM 1132 O ARG A 68 11.271 -13.009 -5.934 1.00 0.00 O ATOM 1133 CB ARG A 68 8.819 -11.380 -4.444 1.00 0.00 C ATOM 1134 CG ARG A 68 7.825 -10.910 -5.507 1.00 0.00 C ATOM 1135 CD ARG A 68 6.408 -10.826 -4.934 1.00 0.00 C ATOM 1136 NE ARG A 68 6.372 -9.857 -3.816 1.00 0.00 N ATOM 1137 CZ ARG A 68 5.244 -9.398 -3.256 1.00 0.00 C ATOM 1138 NH1 ARG A 68 4.054 -9.816 -3.708 1.00 0.00 N ATOM 1139 NH2 ARG A 68 5.306 -8.521 -2.246 1.00 0.00 N ATOM 0 H ARG A 68 9.632 -9.112 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 68 10.928 -11.337 -4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.688 -12.447 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.617 -10.871 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.127 -9.933 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.839 -11.598 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.709 -10.521 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.089 -11.808 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 68 7.261 -9.517 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.007 -10.483 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.195 -9.467 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.212 -8.202 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.447 -8.172 -1.820 1.00 0.00 H new ATOM 1153 N ILE A 69 10.122 -11.564 -7.242 1.00 0.00 N ATOM 1154 CA ILE A 69 10.367 -12.305 -8.467 1.00 0.00 C ATOM 1155 C ILE A 69 11.875 -12.469 -8.665 1.00 0.00 C ATOM 1156 O ILE A 69 12.422 -13.546 -8.432 1.00 0.00 O ATOM 1157 CB ILE A 69 9.661 -11.636 -9.648 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.143 -11.802 -9.545 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.205 -12.158 -10.979 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.444 -11.223 -10.776 1.00 0.00 C ATOM 0 H ILE A 69 9.566 -10.717 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 69 9.943 -13.307 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 69 9.872 -10.567 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.895 -12.859 -9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.779 -11.303 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.686 -11.666 -11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.272 -11.946 -11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.045 -13.234 -11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.366 -11.354 -10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.675 -10.161 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.792 -11.741 -11.670 1.00 0.00 H new ATOM 1172 N ILE A 70 12.505 -11.386 -9.095 1.00 0.00 N ATOM 1173 CA ILE A 70 13.939 -11.396 -9.327 1.00 0.00 C ATOM 1174 C ILE A 70 14.633 -12.128 -8.176 1.00 0.00 C ATOM 1175 O ILE A 70 15.509 -12.960 -8.403 1.00 0.00 O ATOM 1176 CB ILE A 70 14.456 -9.973 -9.551 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.754 -9.316 -10.741 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.978 -9.961 -9.706 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.351 -7.940 -11.039 1.00 0.00 C ATOM 0 H ILE A 70 12.048 -10.495 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 70 14.173 -11.943 -10.240 1.00 0.00 H new ATOM 0 HB ILE A 70 14.217 -9.380 -8.668 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.846 -9.954 -11.620 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.689 -9.216 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.320 -8.938 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.439 -10.362 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.261 -10.574 -10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.834 -7.495 -11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.235 -7.297 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.410 -8.046 -11.274 1.00 0.00 H new ATOM 1191 N PHE A 71 14.215 -11.790 -6.965 1.00 0.00 N ATOM 1192 CA PHE A 71 14.785 -12.404 -5.778 1.00 0.00 C ATOM 1193 C PHE A 71 14.833 -13.927 -5.918 1.00 0.00 C ATOM 1194 O PHE A 71 15.775 -14.567 -5.453 1.00 0.00 O ATOM 1195 CB PHE A 71 13.873 -12.041 -4.605 1.00 0.00 C ATOM 1196 CG PHE A 71 13.874 -13.071 -3.473 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.960 -13.190 -2.663 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.789 -13.868 -3.277 1.00 0.00 C ATOM 1199 CE1 PHE A 71 14.962 -14.146 -1.614 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.791 -14.824 -2.228 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.877 -14.943 -1.418 1.00 0.00 C ATOM 0 H PHE A 71 13.488 -11.099 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 71 15.804 -12.047 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.181 -11.075 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.854 -11.923 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.821 -12.557 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.926 -13.773 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 71 15.825 -14.241 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.930 -15.457 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.878 -15.670 -0.619 1.00 0.00 H new ATOM 1211 N GLU A 72 13.806 -14.463 -6.562 1.00 0.00 N ATOM 1212 CA GLU A 72 13.720 -15.898 -6.769 1.00 0.00 C ATOM 1213 C GLU A 72 14.231 -16.265 -8.164 1.00 0.00 C ATOM 1214 O GLU A 72 14.831 -17.322 -8.351 1.00 0.00 O ATOM 1215 CB GLU A 72 12.289 -16.398 -6.560 1.00 0.00 C ATOM 1216 CG GLU A 72 11.332 -15.755 -7.567 1.00 0.00 C ATOM 1217 CD GLU A 72 10.063 -16.595 -7.729 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.222 -16.537 -6.806 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.963 -17.275 -8.773 1.00 0.00 O ATOM 0 H GLU A 72 13.027 -13.929 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 72 14.353 -16.390 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.260 -17.482 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.964 -16.168 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.068 -14.751 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.829 -15.651 -8.531 1.00 0.00 H new ATOM 1226 N ALA A 73 13.973 -15.371 -9.107 1.00 0.00 N ATOM 1227 CA ALA A 73 14.399 -15.587 -10.480 1.00 0.00 C ATOM 1228 C ALA A 73 15.904 -15.863 -10.504 1.00 0.00 C ATOM 1229 O ALA A 73 16.422 -16.412 -11.475 1.00 0.00 O ATOM 1230 CB ALA A 73 14.015 -14.374 -11.330 1.00 0.00 C ATOM 0 H ALA A 73 13.474 -14.496 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 73 13.897 -16.456 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.334 -14.535 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.934 -14.238 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.503 -13.483 -10.934 1.00 0.00 H new ATOM 1236 N HIS A 74 16.563 -15.469 -9.425 1.00 0.00 N ATOM 1237 CA HIS A 74 17.998 -15.667 -9.311 1.00 0.00 C ATOM 1238 C HIS A 74 18.280 -17.054 -8.728 1.00 0.00 C ATOM 1239 O HIS A 74 19.370 -17.596 -8.905 1.00 0.00 O ATOM 1240 CB HIS A 74 18.639 -14.541 -8.497 1.00 0.00 C ATOM 1241 CG HIS A 74 20.115 -14.358 -8.759 1.00 0.00 C ATOM 1242 ND1 HIS A 74 21.082 -14.598 -7.798 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.778 -13.957 -9.881 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.270 -14.348 -8.329 1.00 0.00 C ATOM 1245 NE2 HIS A 74 22.080 -13.951 -9.620 1.00 0.00 N ATOM 0 H HIS A 74 16.130 -15.014 -8.622 1.00 0.00 H new ATOM 0 HA HIS A 74 18.454 -15.627 -10.300 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.123 -13.607 -8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.491 -14.744 -7.436 1.00 0.00 H new ATOM 0 HD1 HIS A 74 20.909 -14.914 -6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.322 -13.690 -10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.222 -14.442 -7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.816 -13.692 -10.277 1.00 0.00 H new ATOM 1253 N LYS A 75 17.278 -17.589 -8.046 1.00 0.00 N ATOM 1254 CA LYS A 75 17.404 -18.902 -7.437 1.00 0.00 C ATOM 1255 C LYS A 75 16.742 -19.944 -8.340 1.00 0.00 C ATOM 1256 O LYS A 75 16.536 -21.085 -7.930 1.00 0.00 O ATOM 1257 CB LYS A 75 16.853 -18.885 -6.010 1.00 0.00 C ATOM 1258 CG LYS A 75 15.342 -19.125 -6.003 1.00 0.00 C ATOM 1259 CD LYS A 75 14.841 -19.426 -4.589 1.00 0.00 C ATOM 1260 CE LYS A 75 14.766 -18.149 -3.750 1.00 0.00 C ATOM 1261 NZ LYS A 75 13.367 -17.870 -3.354 1.00 0.00 N ATOM 0 H LYS A 75 16.375 -17.137 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 75 18.454 -19.181 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.349 -19.652 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 75 17.075 -17.926 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.829 -18.247 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.099 -19.957 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.856 -19.890 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.507 -20.143 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.388 -18.254 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.163 -17.309 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.295 -16.896 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.744 -17.983 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.078 -18.535 -2.608 1.00 0.00 H new ATOM 1275 N VAL A 76 16.426 -19.514 -9.553 1.00 0.00 N ATOM 1276 CA VAL A 76 15.791 -20.396 -10.518 1.00 0.00 C ATOM 1277 C VAL A 76 16.737 -20.616 -11.700 1.00 0.00 C ATOM 1278 O VAL A 76 16.571 -21.567 -12.464 1.00 0.00 O ATOM 1279 CB VAL A 76 14.435 -19.825 -10.935 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.580 -20.890 -11.625 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.699 -19.225 -9.735 1.00 0.00 C ATOM 0 H VAL A 76 16.598 -18.567 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 76 15.594 -21.372 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 76 14.616 -19.024 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.621 -20.458 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.096 -21.250 -12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.413 -21.722 -10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.738 -18.826 -10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.536 -19.998 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.298 -18.422 -9.305 1.00 0.00 H new ATOM 1291 N LEU A 77 17.708 -19.722 -11.815 1.00 0.00 N ATOM 1292 CA LEU A 77 18.680 -19.807 -12.891 1.00 0.00 C ATOM 1293 C LEU A 77 20.090 -19.679 -12.311 1.00 0.00 C ATOM 1294 O LEU A 77 20.901 -20.595 -12.434 1.00 0.00 O ATOM 1295 CB LEU A 77 18.366 -18.778 -13.979 1.00 0.00 C ATOM 1296 CG LEU A 77 16.887 -18.436 -14.173 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.720 -17.025 -14.740 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.191 -19.488 -15.038 1.00 0.00 C ATOM 0 H LEU A 77 17.842 -18.935 -11.180 1.00 0.00 H new ATOM 0 HA LEU A 77 18.624 -20.780 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.904 -17.859 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.760 -19.148 -14.926 1.00 0.00 H new ATOM 0 HG LEU A 77 16.402 -18.449 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.660 -16.808 -14.868 1.00 0.00 H new ATOM 0 HD12 LEU A 77 17.158 -16.302 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.223 -16.959 -15.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.141 -19.222 -15.161 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.671 -19.531 -16.016 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.264 -20.462 -14.555 1.00 0.00 H new ATOM 1310 N GLY A 78 20.338 -18.535 -11.691 1.00 0.00 N ATOM 1311 CA GLY A 78 21.635 -18.275 -11.091 1.00 0.00 C ATOM 1312 C GLY A 78 21.997 -16.791 -11.188 1.00 0.00 C ATOM 1313 O GLY A 78 22.100 -16.106 -10.172 1.00 0.00 O ATOM 0 H GLY A 78 19.662 -17.777 -11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.624 -18.583 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.397 -18.872 -11.591 1.00 0.00 H new ATOM 1317 N ASN A 79 22.180 -16.339 -12.420 1.00 0.00 N ATOM 1318 CA ASN A 79 22.528 -14.949 -12.663 1.00 0.00 C ATOM 1319 C ASN A 79 22.149 -14.577 -14.098 1.00 0.00 C ATOM 1320 O ASN A 79 22.724 -13.656 -14.676 1.00 0.00 O ATOM 1321 CB ASN A 79 24.032 -14.721 -12.496 1.00 0.00 C ATOM 1322 CG ASN A 79 24.755 -16.033 -12.187 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.741 -16.977 -12.961 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.386 -16.040 -11.017 1.00 0.00 N ATOM 0 H ASN A 79 22.094 -16.910 -13.260 1.00 0.00 H new ATOM 0 HA ASN A 79 21.988 -14.334 -11.943 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.440 -14.283 -13.407 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.208 -14.007 -11.692 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.899 -16.870 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.357 -15.216 -10.417 1.00 0.00 H new ATOM 1331 N ARG A 80 21.184 -15.311 -14.631 1.00 0.00 N ATOM 1332 CA ARG A 80 20.722 -15.070 -15.987 1.00 0.00 C ATOM 1333 C ARG A 80 19.939 -13.757 -16.055 1.00 0.00 C ATOM 1334 O ARG A 80 18.762 -13.750 -16.414 1.00 0.00 O ATOM 1335 CB ARG A 80 19.831 -16.213 -16.478 1.00 0.00 C ATOM 1336 CG ARG A 80 20.601 -17.142 -17.419 1.00 0.00 C ATOM 1337 CD ARG A 80 21.018 -18.427 -16.700 1.00 0.00 C ATOM 1338 NE ARG A 80 20.790 -19.596 -17.580 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.627 -19.977 -18.554 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.752 -19.284 -18.780 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.339 -21.050 -19.303 1.00 0.00 N ATOM 0 H ARG A 80 20.709 -16.073 -14.148 1.00 0.00 H new ATOM 0 HA ARG A 80 21.600 -15.008 -16.630 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.458 -16.781 -15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.962 -15.805 -16.994 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.981 -17.388 -18.281 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.485 -16.630 -17.798 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.070 -18.372 -16.420 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.448 -18.539 -15.778 1.00 0.00 H new ATOM 0 HE ARG A 80 19.943 -20.145 -17.435 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.971 -18.467 -18.210 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.389 -19.574 -19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.482 -21.577 -19.132 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.976 -21.340 -20.045 1.00 0.00 H new ATOM 1355 N TRP A 81 20.623 -12.678 -15.705 1.00 0.00 N ATOM 1356 CA TRP A 81 20.006 -11.363 -15.721 1.00 0.00 C ATOM 1357 C TRP A 81 19.363 -11.159 -17.095 1.00 0.00 C ATOM 1358 O TRP A 81 18.304 -10.544 -17.203 1.00 0.00 O ATOM 1359 CB TRP A 81 21.023 -10.275 -15.370 1.00 0.00 C ATOM 1360 CG TRP A 81 21.999 -10.671 -14.260 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.325 -10.842 -14.349 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.669 -10.938 -12.881 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.871 -11.200 -13.133 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.832 -11.259 -12.212 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.428 -10.909 -12.220 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.870 -11.577 -10.849 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.483 -11.228 -10.858 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.646 -11.554 -10.170 1.00 0.00 C ATOM 0 H TRP A 81 21.599 -12.688 -15.409 1.00 0.00 H new ATOM 0 HA TRP A 81 19.230 -11.292 -14.959 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.591 -10.020 -16.265 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.487 -9.376 -15.065 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.895 -10.716 -15.258 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.856 -11.387 -12.945 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.505 -10.660 -12.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.794 -11.827 -10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.557 -11.220 -10.303 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.606 -11.788 -9.117 1.00 0.00 H new ATOM 1379 N ALA A 82 20.032 -11.688 -18.110 1.00 0.00 N ATOM 1380 CA ALA A 82 19.539 -11.572 -19.472 1.00 0.00 C ATOM 1381 C ALA A 82 18.163 -12.233 -19.570 1.00 0.00 C ATOM 1382 O ALA A 82 17.393 -11.940 -20.483 1.00 0.00 O ATOM 1383 CB ALA A 82 20.553 -12.191 -20.436 1.00 0.00 C ATOM 0 H ALA A 82 20.911 -12.198 -18.016 1.00 0.00 H new ATOM 0 HA ALA A 82 19.422 -10.525 -19.750 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.184 -12.104 -21.458 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.505 -11.667 -20.349 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.694 -13.243 -20.189 1.00 0.00 H new ATOM 1389 N GLU A 83 17.895 -13.113 -18.616 1.00 0.00 N ATOM 1390 CA GLU A 83 16.625 -13.819 -18.583 1.00 0.00 C ATOM 1391 C GLU A 83 15.721 -13.234 -17.496 1.00 0.00 C ATOM 1392 O GLU A 83 14.498 -13.305 -17.597 1.00 0.00 O ATOM 1393 CB GLU A 83 16.837 -15.319 -18.372 1.00 0.00 C ATOM 1394 CG GLU A 83 18.008 -15.831 -19.213 1.00 0.00 C ATOM 1395 CD GLU A 83 17.715 -15.687 -20.708 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.704 -16.277 -21.148 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.507 -14.989 -21.377 1.00 0.00 O ATOM 0 H GLU A 83 18.536 -13.353 -17.860 1.00 0.00 H new ATOM 0 HA GLU A 83 16.133 -13.688 -19.547 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.028 -15.518 -17.317 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.929 -15.859 -18.639 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.911 -15.276 -18.961 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.200 -16.877 -18.976 1.00 0.00 H new ATOM 1404 N ILE A 84 16.359 -12.670 -16.481 1.00 0.00 N ATOM 1405 CA ILE A 84 15.628 -12.073 -15.376 1.00 0.00 C ATOM 1406 C ILE A 84 14.773 -10.919 -15.901 1.00 0.00 C ATOM 1407 O ILE A 84 13.632 -10.743 -15.476 1.00 0.00 O ATOM 1408 CB ILE A 84 16.587 -11.668 -14.255 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.386 -12.874 -13.755 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.840 -10.965 -13.121 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.577 -13.684 -12.740 1.00 0.00 C ATOM 0 H ILE A 84 17.374 -12.614 -16.401 1.00 0.00 H new ATOM 0 HA ILE A 84 14.947 -12.799 -14.933 1.00 0.00 H new ATOM 0 HB ILE A 84 17.303 -10.953 -14.660 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.659 -13.509 -14.598 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.315 -12.535 -13.297 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.545 -10.688 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.355 -10.068 -13.506 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.087 -11.637 -12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.167 -14.535 -12.400 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.327 -13.053 -11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.660 -14.042 -13.208 1.00 0.00 H new ATOM 1423 N ALA A 85 15.357 -10.160 -16.817 1.00 0.00 N ATOM 1424 CA ALA A 85 14.662 -9.027 -17.404 1.00 0.00 C ATOM 1425 C ALA A 85 13.620 -9.535 -18.403 1.00 0.00 C ATOM 1426 O ALA A 85 12.615 -8.870 -18.649 1.00 0.00 O ATOM 1427 CB ALA A 85 15.679 -8.084 -18.051 1.00 0.00 C ATOM 0 H ALA A 85 16.304 -10.308 -17.167 1.00 0.00 H new ATOM 0 HA ALA A 85 14.134 -8.461 -16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.158 -7.234 -18.492 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.378 -7.729 -17.294 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.226 -8.617 -18.829 1.00 0.00 H new ATOM 1433 N LYS A 86 13.896 -10.709 -18.952 1.00 0.00 N ATOM 1434 CA LYS A 86 12.995 -11.313 -19.919 1.00 0.00 C ATOM 1435 C LYS A 86 11.606 -11.458 -19.294 1.00 0.00 C ATOM 1436 O LYS A 86 10.597 -11.217 -19.953 1.00 0.00 O ATOM 1437 CB LYS A 86 13.575 -12.629 -20.441 1.00 0.00 C ATOM 1438 CG LYS A 86 14.414 -12.397 -21.700 1.00 0.00 C ATOM 1439 CD LYS A 86 14.269 -13.565 -22.678 1.00 0.00 C ATOM 1440 CE LYS A 86 14.259 -13.069 -24.125 1.00 0.00 C ATOM 1441 NZ LYS A 86 14.535 -14.185 -25.057 1.00 0.00 N ATOM 0 H LYS A 86 14.731 -11.258 -18.746 1.00 0.00 H new ATOM 0 HA LYS A 86 12.886 -10.670 -20.792 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.191 -13.091 -19.669 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.766 -13.325 -20.662 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.102 -11.472 -22.184 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.462 -12.275 -21.426 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.090 -14.267 -22.536 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.347 -14.107 -22.469 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.291 -12.625 -24.357 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.007 -12.287 -24.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.525 -13.831 -26.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.469 -14.591 -24.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.806 -14.918 -24.946 1.00 0.00 H new ATOM 1455 N LEU A 87 11.600 -11.851 -18.028 1.00 0.00 N ATOM 1456 CA LEU A 87 10.351 -12.031 -17.307 1.00 0.00 C ATOM 1457 C LEU A 87 9.768 -10.661 -16.956 1.00 0.00 C ATOM 1458 O LEU A 87 8.681 -10.572 -16.388 1.00 0.00 O ATOM 1459 CB LEU A 87 10.560 -12.940 -16.094 1.00 0.00 C ATOM 1460 CG LEU A 87 10.498 -12.258 -14.726 1.00 0.00 C ATOM 1461 CD1 LEU A 87 9.070 -12.258 -14.177 1.00 0.00 C ATOM 1462 CD2 LEU A 87 11.488 -12.896 -13.749 1.00 0.00 C ATOM 0 H LEU A 87 12.439 -12.050 -17.484 1.00 0.00 H new ATOM 0 HA LEU A 87 9.618 -12.538 -17.934 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.806 -13.727 -16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.531 -13.426 -16.192 1.00 0.00 H new ATOM 0 HG LEU A 87 10.795 -11.217 -14.850 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.054 -11.767 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.416 -11.722 -14.864 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.721 -13.285 -14.071 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.423 -12.392 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.247 -13.952 -13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.500 -12.799 -14.142 1.00 0.00 H new ATOM 1474 N LEU A 88 10.517 -9.627 -17.308 1.00 0.00 N ATOM 1475 CA LEU A 88 10.088 -8.265 -17.038 1.00 0.00 C ATOM 1476 C LEU A 88 9.917 -7.516 -18.361 1.00 0.00 C ATOM 1477 O LEU A 88 10.442 -7.939 -19.390 1.00 0.00 O ATOM 1478 CB LEU A 88 11.053 -7.583 -16.066 1.00 0.00 C ATOM 1479 CG LEU A 88 11.041 -8.109 -14.629 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.234 -7.570 -13.838 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.710 -7.797 -13.942 1.00 0.00 C ATOM 0 H LEU A 88 11.419 -9.705 -17.778 1.00 0.00 H new ATOM 0 HA LEU A 88 9.117 -8.263 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.065 -7.682 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.823 -6.518 -16.044 1.00 0.00 H new ATOM 0 HG LEU A 88 11.140 -9.194 -14.662 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.201 -7.959 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.161 -7.885 -14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.191 -6.481 -13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.728 -8.182 -12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.556 -6.718 -13.920 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.897 -8.269 -14.493 1.00 0.00 H new ATOM 1493 N PRO A 89 9.160 -6.389 -18.289 1.00 0.00 N ATOM 1494 CA PRO A 89 8.912 -5.577 -19.469 1.00 0.00 C ATOM 1495 C PRO A 89 10.152 -4.763 -19.844 1.00 0.00 C ATOM 1496 O PRO A 89 10.117 -3.968 -20.782 1.00 0.00 O ATOM 1497 CB PRO A 89 7.719 -4.709 -19.106 1.00 0.00 C ATOM 1498 CG PRO A 89 7.634 -4.731 -17.588 1.00 0.00 C ATOM 1499 CD PRO A 89 8.522 -5.858 -17.088 1.00 0.00 C ATOM 0 HA PRO A 89 8.697 -6.176 -20.354 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.849 -3.692 -19.475 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.804 -5.096 -19.554 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.959 -3.777 -17.174 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.604 -4.885 -17.265 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.262 -5.493 -16.375 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.939 -6.625 -16.578 1.00 0.00 H new ATOM 1507 N GLY A 90 11.219 -4.989 -19.092 1.00 0.00 N ATOM 1508 CA GLY A 90 12.468 -4.286 -19.333 1.00 0.00 C ATOM 1509 C GLY A 90 13.463 -4.529 -18.197 1.00 0.00 C ATOM 1510 O GLY A 90 13.655 -5.666 -17.769 1.00 0.00 O ATOM 0 H GLY A 90 11.245 -5.649 -18.315 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.900 -4.619 -20.277 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.275 -3.218 -19.430 1.00 0.00 H new ATOM 1514 N ARG A 91 14.069 -3.443 -17.742 1.00 0.00 N ATOM 1515 CA ARG A 91 15.040 -3.524 -16.664 1.00 0.00 C ATOM 1516 C ARG A 91 16.344 -4.145 -17.169 1.00 0.00 C ATOM 1517 O ARG A 91 17.279 -4.349 -16.396 1.00 0.00 O ATOM 1518 CB ARG A 91 14.502 -4.360 -15.500 1.00 0.00 C ATOM 1519 CG ARG A 91 13.087 -3.922 -15.119 1.00 0.00 C ATOM 1520 CD ARG A 91 13.111 -2.606 -14.338 1.00 0.00 C ATOM 1521 NE ARG A 91 11.729 -2.165 -14.046 1.00 0.00 N ATOM 1522 CZ ARG A 91 10.895 -1.654 -14.962 1.00 0.00 C ATOM 1523 NH1 ARG A 91 11.297 -1.516 -16.233 1.00 0.00 N ATOM 1524 NH2 ARG A 91 9.658 -1.280 -14.606 1.00 0.00 N ATOM 0 H ARG A 91 13.907 -2.502 -18.100 1.00 0.00 H new ATOM 0 HA ARG A 91 15.229 -2.510 -16.312 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.498 -5.414 -15.776 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.162 -4.258 -14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.484 -3.803 -16.020 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.612 -4.697 -14.518 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.664 -2.736 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.631 -1.841 -14.914 1.00 0.00 H new ATOM 0 HE ARG A 91 11.390 -2.256 -13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.238 -1.800 -16.504 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.661 -1.127 -16.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.352 -1.384 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.023 -0.891 -15.303 1.00 0.00 H new ATOM 1538 N THR A 92 16.364 -4.430 -18.463 1.00 0.00 N ATOM 1539 CA THR A 92 17.538 -5.024 -19.080 1.00 0.00 C ATOM 1540 C THR A 92 18.198 -6.018 -18.124 1.00 0.00 C ATOM 1541 O THR A 92 17.557 -6.514 -17.198 1.00 0.00 O ATOM 1542 CB THR A 92 18.468 -3.890 -19.516 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.797 -3.224 -18.299 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.745 -2.823 -20.341 1.00 0.00 C ATOM 0 H THR A 92 15.586 -4.261 -19.101 1.00 0.00 H new ATOM 0 HA THR A 92 17.270 -5.602 -19.964 1.00 0.00 H new ATOM 0 HB THR A 92 19.293 -4.301 -20.098 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.399 -2.474 -18.489 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.451 -2.042 -20.624 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.328 -3.278 -21.239 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.941 -2.388 -19.748 1.00 0.00 H new ATOM 1552 N ASP A 93 19.471 -6.280 -18.380 1.00 0.00 N ATOM 1553 CA ASP A 93 20.226 -7.206 -17.552 1.00 0.00 C ATOM 1554 C ASP A 93 21.224 -6.423 -16.697 1.00 0.00 C ATOM 1555 O ASP A 93 21.602 -6.868 -15.615 1.00 0.00 O ATOM 1556 CB ASP A 93 21.014 -8.196 -18.412 1.00 0.00 C ATOM 1557 CG ASP A 93 20.565 -8.286 -19.872 1.00 0.00 C ATOM 1558 OD1 ASP A 93 19.334 -8.340 -20.084 1.00 0.00 O ATOM 1559 OD2 ASP A 93 21.462 -8.298 -20.742 1.00 0.00 O ATOM 0 H ASP A 93 19.999 -5.867 -19.149 1.00 0.00 H new ATOM 0 HA ASP A 93 19.520 -7.753 -16.928 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.067 -7.916 -18.388 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.937 -9.186 -17.962 1.00 0.00 H new ATOM 1564 N ASN A 94 21.622 -5.271 -17.216 1.00 0.00 N ATOM 1565 CA ASN A 94 22.569 -4.421 -16.513 1.00 0.00 C ATOM 1566 C ASN A 94 21.889 -3.816 -15.283 1.00 0.00 C ATOM 1567 O ASN A 94 22.560 -3.322 -14.379 1.00 0.00 O ATOM 1568 CB ASN A 94 23.045 -3.272 -17.404 1.00 0.00 C ATOM 1569 CG ASN A 94 23.122 -3.710 -18.868 1.00 0.00 C ATOM 1570 OD1 ASN A 94 23.801 -4.659 -19.225 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.390 -2.968 -19.694 1.00 0.00 N ATOM 0 H ASN A 94 21.306 -4.906 -18.115 1.00 0.00 H new ATOM 0 HA ASN A 94 23.424 -5.033 -16.227 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.363 -2.427 -17.309 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.025 -2.930 -17.071 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.374 -3.180 -20.692 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.844 -2.187 -19.330 1.00 0.00 H new ATOM 1578 N ALA A 95 20.565 -3.874 -15.290 1.00 0.00 N ATOM 1579 CA ALA A 95 19.787 -3.337 -14.186 1.00 0.00 C ATOM 1580 C ALA A 95 19.579 -4.429 -13.135 1.00 0.00 C ATOM 1581 O ALA A 95 19.941 -4.255 -11.973 1.00 0.00 O ATOM 1582 CB ALA A 95 18.465 -2.779 -14.717 1.00 0.00 C ATOM 0 H ALA A 95 20.012 -4.284 -16.042 1.00 0.00 H new ATOM 0 HA ALA A 95 20.318 -2.515 -13.706 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.881 -2.376 -13.889 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.668 -1.987 -15.437 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.903 -3.576 -15.203 1.00 0.00 H new ATOM 1588 N VAL A 96 18.997 -5.532 -13.583 1.00 0.00 N ATOM 1589 CA VAL A 96 18.736 -6.653 -12.696 1.00 0.00 C ATOM 1590 C VAL A 96 20.040 -7.073 -12.015 1.00 0.00 C ATOM 1591 O VAL A 96 20.102 -7.172 -10.790 1.00 0.00 O ATOM 1592 CB VAL A 96 18.073 -7.792 -13.473 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.786 -8.985 -12.559 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.797 -7.313 -14.166 1.00 0.00 C ATOM 0 H VAL A 96 18.699 -5.673 -14.548 1.00 0.00 H new ATOM 0 HA VAL A 96 18.038 -6.364 -11.911 1.00 0.00 H new ATOM 0 HB VAL A 96 18.769 -8.121 -14.244 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.315 -9.781 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.721 -9.350 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.118 -8.675 -11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.346 -8.142 -14.711 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.094 -6.944 -13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.040 -6.511 -14.863 1.00 0.00 H new ATOM 1604 N LYS A 97 21.051 -7.309 -12.839 1.00 0.00 N ATOM 1605 CA LYS A 97 22.350 -7.717 -12.331 1.00 0.00 C ATOM 1606 C LYS A 97 22.792 -6.745 -11.235 1.00 0.00 C ATOM 1607 O LYS A 97 23.085 -7.159 -10.115 1.00 0.00 O ATOM 1608 CB LYS A 97 23.355 -7.850 -13.477 1.00 0.00 C ATOM 1609 CG LYS A 97 24.719 -8.310 -12.960 1.00 0.00 C ATOM 1610 CD LYS A 97 25.664 -8.637 -14.118 1.00 0.00 C ATOM 1611 CE LYS A 97 26.193 -7.359 -14.772 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.629 -7.177 -14.466 1.00 0.00 N ATOM 0 H LYS A 97 20.997 -7.225 -13.854 1.00 0.00 H new ATOM 0 HA LYS A 97 22.288 -8.705 -11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.981 -8.563 -14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.460 -6.892 -13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.158 -7.530 -12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.594 -9.190 -12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.499 -9.235 -13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.140 -9.240 -14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 97 26.049 -7.409 -15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.627 -6.499 -14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.972 -6.305 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.759 -7.108 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.167 -7.990 -14.829 1.00 0.00 H new ATOM 1626 N ASN A 98 22.828 -5.471 -11.598 1.00 0.00 N ATOM 1627 CA ASN A 98 23.229 -4.437 -10.659 1.00 0.00 C ATOM 1628 C ASN A 98 22.278 -4.444 -9.461 1.00 0.00 C ATOM 1629 O ASN A 98 22.717 -4.541 -8.316 1.00 0.00 O ATOM 1630 CB ASN A 98 23.165 -3.052 -11.305 1.00 0.00 C ATOM 1631 CG ASN A 98 24.151 -2.090 -10.639 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.980 -1.671 -9.506 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.190 -1.765 -11.403 1.00 0.00 N ATOM 0 H ASN A 98 22.586 -5.132 -12.529 1.00 0.00 H new ATOM 0 HA ASN A 98 24.253 -4.643 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.391 -3.132 -12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.153 -2.655 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.904 -1.129 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.272 -2.152 -12.343 1.00 0.00 H new ATOM 1640 N HIS A 99 20.993 -4.340 -9.766 1.00 0.00 N ATOM 1641 CA HIS A 99 19.975 -4.334 -8.728 1.00 0.00 C ATOM 1642 C HIS A 99 20.291 -5.415 -7.693 1.00 0.00 C ATOM 1643 O HIS A 99 19.930 -5.286 -6.525 1.00 0.00 O ATOM 1644 CB HIS A 99 18.579 -4.483 -9.336 1.00 0.00 C ATOM 1645 CG HIS A 99 17.462 -4.456 -8.320 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.254 -5.089 -8.307 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.524 -3.709 -7.157 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.614 -4.749 -7.195 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.400 -3.893 -6.481 1.00 0.00 N flip ATOM 0 H HIS A 99 20.633 -4.259 -10.717 1.00 0.00 H new ATOM 0 HA HIS A 99 19.982 -3.374 -8.212 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.420 -3.681 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.532 -5.422 -9.888 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.349 -3.082 -6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.633 -5.093 -6.904 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.164 -3.469 -5.584 1.00 0.00 H new ATOM 1657 N TRP A 100 20.962 -6.458 -8.160 1.00 0.00 N ATOM 1658 CA TRP A 100 21.330 -7.561 -7.290 1.00 0.00 C ATOM 1659 C TRP A 100 22.254 -7.015 -6.199 1.00 0.00 C ATOM 1660 O TRP A 100 21.879 -6.967 -5.029 1.00 0.00 O ATOM 1661 CB TRP A 100 21.960 -8.704 -8.089 1.00 0.00 C ATOM 1662 CG TRP A 100 21.745 -10.087 -7.472 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.665 -11.025 -7.208 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.487 -10.654 -7.049 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.095 -12.151 -6.649 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.728 -11.918 -6.549 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.188 -10.117 -7.087 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.719 -12.750 -6.049 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.191 -10.961 -6.585 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.417 -12.236 -6.078 1.00 0.00 C ATOM 0 H TRP A 100 21.260 -6.562 -9.130 1.00 0.00 H new ATOM 0 HA TRP A 100 20.446 -7.989 -6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.547 -8.699 -9.098 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.031 -8.521 -8.182 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.721 -10.914 -7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.586 -12.998 -6.362 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.976 -9.131 -7.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.933 -13.735 -5.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.174 -10.596 -6.592 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.592 -12.827 -5.708 1.00 0.00 H new ATOM 1681 N ASN A 101 23.445 -6.617 -6.622 1.00 0.00 N ATOM 1682 CA ASN A 101 24.425 -6.076 -5.696 1.00 0.00 C ATOM 1683 C ASN A 101 23.963 -4.698 -5.217 1.00 0.00 C ATOM 1684 O ASN A 101 24.604 -4.086 -4.365 1.00 0.00 O ATOM 1685 CB ASN A 101 25.788 -5.908 -6.372 1.00 0.00 C ATOM 1686 CG ASN A 101 26.433 -7.267 -6.649 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.827 -7.991 -5.749 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.520 -7.572 -7.941 1.00 0.00 N ATOM 0 H ASN A 101 23.753 -6.658 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 101 24.519 -6.771 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.669 -5.360 -7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.443 -5.313 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.936 -8.458 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.170 -6.920 -8.644 1.00 0.00 H new ATOM 1695 N SER A 102 22.853 -4.252 -5.786 1.00 0.00 N ATOM 1696 CA SER A 102 22.296 -2.958 -5.428 1.00 0.00 C ATOM 1697 C SER A 102 21.700 -3.017 -4.020 1.00 0.00 C ATOM 1698 O SER A 102 22.317 -2.554 -3.061 1.00 0.00 O ATOM 1699 CB SER A 102 21.234 -2.517 -6.436 1.00 0.00 C ATOM 1700 OG SER A 102 20.820 -1.170 -6.222 1.00 0.00 O ATOM 0 H SER A 102 22.324 -4.763 -6.492 1.00 0.00 H new ATOM 0 HA SER A 102 23.101 -2.223 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.629 -2.618 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.370 -3.177 -6.364 1.00 0.00 H new ATOM 0 HG SER A 102 20.143 -0.926 -6.887 1.00 0.00 H new ATOM 1706 N THR A 103 20.508 -3.589 -3.940 1.00 0.00 N ATOM 1707 CA THR A 103 19.822 -3.713 -2.665 1.00 0.00 C ATOM 1708 C THR A 103 19.455 -5.175 -2.397 1.00 0.00 C ATOM 1709 O THR A 103 19.081 -5.530 -1.281 1.00 0.00 O ATOM 1710 CB THR A 103 18.611 -2.778 -2.686 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.142 -1.515 -2.295 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.595 -3.110 -1.592 1.00 0.00 C ATOM 0 H THR A 103 20.000 -3.972 -4.737 1.00 0.00 H new ATOM 0 HA THR A 103 20.467 -3.415 -1.839 1.00 0.00 H new ATOM 0 HB THR A 103 18.126 -2.835 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.732 -0.807 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.756 -2.417 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.234 -4.129 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.070 -3.021 -0.615 1.00 0.00 H new ATOM 1720 N ILE A 104 19.576 -5.982 -3.441 1.00 0.00 N ATOM 1721 CA ILE A 104 19.263 -7.397 -3.332 1.00 0.00 C ATOM 1722 C ILE A 104 20.531 -8.169 -2.963 1.00 0.00 C ATOM 1723 O ILE A 104 20.719 -9.304 -3.398 1.00 0.00 O ATOM 1724 CB ILE A 104 18.589 -7.896 -4.612 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.674 -6.823 -5.204 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.846 -9.210 -4.364 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.227 -7.202 -6.618 1.00 0.00 C ATOM 0 H ILE A 104 19.886 -5.683 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 104 18.542 -7.568 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 104 19.365 -8.100 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.800 -6.692 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.197 -5.867 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.376 -9.543 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.551 -9.968 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.081 -9.057 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.577 -6.422 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.102 -7.308 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.683 -8.146 -6.587 1.00 0.00 H new ATOM 1739 N LYS A 105 21.368 -7.523 -2.165 1.00 0.00 N ATOM 1740 CA LYS A 105 22.613 -8.135 -1.733 1.00 0.00 C ATOM 1741 C LYS A 105 22.923 -7.694 -0.301 1.00 0.00 C ATOM 1742 O LYS A 105 23.361 -6.567 -0.075 1.00 0.00 O ATOM 1743 CB LYS A 105 23.735 -7.827 -2.727 1.00 0.00 C ATOM 1744 CG LYS A 105 23.747 -8.843 -3.871 1.00 0.00 C ATOM 1745 CD LYS A 105 23.702 -10.275 -3.334 1.00 0.00 C ATOM 1746 CE LYS A 105 24.626 -10.436 -2.125 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.208 -11.796 -2.095 1.00 0.00 N ATOM 0 H LYS A 105 21.208 -6.582 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 105 22.519 -9.221 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.604 -6.822 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.696 -7.842 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.893 -8.669 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.644 -8.705 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.680 -10.530 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.999 -10.971 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.423 -9.694 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.068 -10.252 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.832 -11.888 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.444 -12.499 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.757 -11.958 -2.963 1.00 0.00 H new ATOM 1761 N ARG A 106 22.682 -8.606 0.630 1.00 0.00 N ATOM 1762 CA ARG A 106 22.929 -8.325 2.034 1.00 0.00 C ATOM 1763 C ARG A 106 24.421 -8.084 2.272 1.00 0.00 C ATOM 1764 O ARG A 106 24.796 -7.190 3.030 1.00 0.00 O ATOM 1765 CB ARG A 106 22.459 -9.482 2.918 1.00 0.00 C ATOM 1766 CG ARG A 106 22.986 -10.820 2.396 1.00 0.00 C ATOM 1767 CD ARG A 106 21.858 -11.848 2.285 1.00 0.00 C ATOM 1768 NE ARG A 106 22.205 -12.874 1.277 1.00 0.00 N ATOM 1769 CZ ARG A 106 22.928 -13.971 1.540 1.00 0.00 C ATOM 1770 NH1 ARG A 106 23.385 -14.191 2.781 1.00 0.00 N ATOM 1771 NH2 ARG A 106 23.194 -14.849 0.563 1.00 0.00 N ATOM 0 H ARG A 106 22.318 -9.540 0.439 1.00 0.00 H new ATOM 0 HA ARG A 106 22.366 -7.430 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.803 -9.326 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 106 21.370 -9.503 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 106 23.449 -10.677 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 106 23.761 -11.196 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.689 -12.320 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.929 -11.352 2.005 1.00 0.00 H new ATOM 0 HE ARG A 106 21.873 -12.738 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 106 23.182 -13.523 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.935 -15.026 2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 106 22.846 -14.682 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 106 23.744 -15.684 0.764 1.00 0.00 H new ATOM 1785 N LYS A 107 25.233 -8.897 1.611 1.00 0.00 N ATOM 1786 CA LYS A 107 26.675 -8.783 1.741 1.00 0.00 C ATOM 1787 C LYS A 107 27.177 -7.652 0.840 1.00 0.00 C ATOM 1788 O LYS A 107 28.048 -7.865 -0.002 1.00 0.00 O ATOM 1789 CB LYS A 107 27.346 -10.131 1.468 1.00 0.00 C ATOM 1790 CG LYS A 107 28.335 -10.486 2.579 1.00 0.00 C ATOM 1791 CD LYS A 107 29.744 -10.683 2.017 1.00 0.00 C ATOM 1792 CE LYS A 107 30.770 -10.821 3.144 1.00 0.00 C ATOM 1793 NZ LYS A 107 30.828 -12.220 3.624 1.00 0.00 N ATOM 0 H LYS A 107 24.919 -9.637 0.984 1.00 0.00 H new ATOM 0 HA LYS A 107 26.945 -8.520 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 107 26.587 -10.910 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 107 27.866 -10.095 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 107 28.346 -9.694 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 107 28.010 -11.396 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 107 29.767 -11.573 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 107 30.008 -9.837 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 107 31.753 -10.511 2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 107 30.505 -10.158 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 31.529 -12.296 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 29.893 -12.503 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 31.102 -12.845 2.839 1.00 0.00 H new ATOM 1807 N VAL A 108 26.604 -6.476 1.047 1.00 0.00 N ATOM 1808 CA VAL A 108 26.982 -5.311 0.264 1.00 0.00 C ATOM 1809 C VAL A 108 26.831 -4.054 1.122 1.00 0.00 C ATOM 1810 O VAL A 108 27.748 -3.238 1.201 1.00 0.00 O ATOM 1811 CB VAL A 108 26.160 -5.258 -1.025 1.00 0.00 C ATOM 1812 CG1 VAL A 108 25.694 -3.831 -1.320 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.949 -5.832 -2.203 1.00 0.00 C ATOM 0 H VAL A 108 25.881 -6.304 1.745 1.00 0.00 H new ATOM 0 HA VAL A 108 28.028 -5.375 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 108 25.274 -5.877 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 108 25.112 -3.822 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 108 25.076 -3.473 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 108 26.562 -3.181 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.341 -5.782 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 108 27.861 -5.253 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.207 -6.871 -1.996 1.00 0.00 H new ATOM 1823 N ASP A 109 25.667 -3.937 1.744 1.00 0.00 N ATOM 1824 CA ASP A 109 25.384 -2.793 2.593 1.00 0.00 C ATOM 1825 C ASP A 109 24.322 -3.179 3.625 1.00 0.00 C ATOM 1826 O ASP A 109 23.144 -2.871 3.454 1.00 0.00 O ATOM 1827 CB ASP A 109 24.842 -1.619 1.774 1.00 0.00 C ATOM 1828 CG ASP A 109 25.138 -0.235 2.354 1.00 0.00 C ATOM 1829 OD1 ASP A 109 26.312 -0.012 2.720 1.00 0.00 O ATOM 1830 OD2 ASP A 109 24.183 0.570 2.418 1.00 0.00 O ATOM 0 H ASP A 109 24.909 -4.616 1.677 1.00 0.00 H new ATOM 0 HA ASP A 109 26.314 -2.496 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.261 -1.672 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.762 -1.732 1.676 1.00 0.00 H new ATOM 1835 N THR A 110 24.778 -3.849 4.674 1.00 0.00 N ATOM 1836 CA THR A 110 23.883 -4.281 5.733 1.00 0.00 C ATOM 1837 C THR A 110 23.089 -3.092 6.278 1.00 0.00 C ATOM 1838 O THR A 110 21.910 -3.225 6.605 1.00 0.00 O ATOM 1839 CB THR A 110 24.719 -4.992 6.799 1.00 0.00 C ATOM 1840 OG1 THR A 110 23.753 -5.624 7.634 1.00 0.00 O ATOM 1841 CG2 THR A 110 25.434 -4.013 7.732 1.00 0.00 C ATOM 0 H THR A 110 25.756 -4.103 4.812 1.00 0.00 H new ATOM 0 HA THR A 110 23.140 -4.985 5.359 1.00 0.00 H new ATOM 0 HB THR A 110 25.454 -5.634 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.209 -6.110 8.352 1.00 0.00 H new ATOM 0 HG21 THR A 110 26.013 -4.570 8.469 1.00 0.00 H new ATOM 0 HG22 THR A 110 26.102 -3.378 7.150 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.697 -3.393 8.242 1.00 0.00 H new TER 1849 THR A 110