USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= -0.462 X(o=-2.5,f=-2.1) USER MOD Set 1.2: A 94 TYR OH : rot 15:sc= -2.05 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 ASN : amide:sc= -0.0143 X(o=-0.061,f=-0.054) USER MOD Set 3.2: A 44 ASN : amide:sc= -0.0469 K(o=-0.061,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 1.26 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -152:sc= -0.205 (180deg=-0.946) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.532 F(o=-1.6,f=-0.53) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.1!) USER MOD Single : A 35 MET CE :methyl -171:sc= -0.566 (180deg=-1.03) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 53:sc= 0.256! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.66) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -0.125 (180deg=-1.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 69 THR OG1 : rot -23:sc= 0.102 USER MOD Single : A 71 MET CE :methyl -136:sc= -0.137 (180deg=-0.966) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.7 K(o=-2.7,f=-5.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -5.73! C(o=-5.7!,f=-7.9!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.147 31.233 -0.613 1.00 0.00 N ATOM 2 CA GLY A 1 -10.487 31.624 0.743 1.00 0.00 C ATOM 3 C GLY A 1 -10.741 30.432 1.644 1.00 0.00 C ATOM 4 O GLY A 1 -11.560 29.569 1.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.983 32.083 -1.189 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.285 30.652 -0.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.929 30.683 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.677 32.224 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.375 32.257 0.724 1.00 0.00 H new ATOM 8 N SER A 2 -10.036 30.381 2.770 1.00 0.00 N ATOM 9 CA SER A 2 -10.185 29.282 3.716 1.00 0.00 C ATOM 10 C SER A 2 -9.491 29.604 5.036 1.00 0.00 C ATOM 11 O SER A 2 -8.629 30.481 5.099 1.00 0.00 O ATOM 12 CB SER A 2 -9.613 27.992 3.127 1.00 0.00 C ATOM 13 OG SER A 2 -8.197 28.028 3.100 1.00 0.00 O ATOM 0 H SER A 2 -9.356 31.088 3.049 1.00 0.00 H new ATOM 0 HA SER A 2 -11.249 29.143 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.947 27.139 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.996 27.849 2.116 1.00 0.00 H new ATOM 0 HG SER A 2 -7.856 27.191 2.721 1.00 0.00 H new ATOM 19 N SER A 3 -9.872 28.888 6.089 1.00 0.00 N ATOM 20 CA SER A 3 -9.290 29.098 7.409 1.00 0.00 C ATOM 21 C SER A 3 -9.728 28.004 8.377 1.00 0.00 C ATOM 22 O SER A 3 -10.698 27.290 8.126 1.00 0.00 O ATOM 23 CB SER A 3 -9.693 30.470 7.954 1.00 0.00 C ATOM 24 OG SER A 3 -8.796 31.476 7.518 1.00 0.00 O ATOM 0 H SER A 3 -10.582 28.157 6.053 1.00 0.00 H new ATOM 0 HA SER A 3 -8.205 29.058 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.704 30.713 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.710 30.441 9.043 1.00 0.00 H new ATOM 0 HG SER A 3 -8.673 31.407 6.548 1.00 0.00 H new ATOM 30 N GLY A 4 -9.005 27.879 9.486 1.00 0.00 N ATOM 31 CA GLY A 4 -9.333 26.870 10.476 1.00 0.00 C ATOM 32 C GLY A 4 -8.897 25.481 10.055 1.00 0.00 C ATOM 33 O GLY A 4 -9.656 24.750 9.419 1.00 0.00 O ATOM 0 H GLY A 4 -8.198 28.459 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.856 27.126 11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.409 26.872 10.650 1.00 0.00 H new ATOM 37 N SER A 5 -7.669 25.115 10.409 1.00 0.00 N ATOM 38 CA SER A 5 -7.130 23.806 10.059 1.00 0.00 C ATOM 39 C SER A 5 -8.020 22.691 10.598 1.00 0.00 C ATOM 40 O SER A 5 -8.377 22.680 11.776 1.00 0.00 O ATOM 41 CB SER A 5 -5.711 23.652 10.609 1.00 0.00 C ATOM 42 OG SER A 5 -4.844 24.633 10.067 1.00 0.00 O ATOM 0 H SER A 5 -7.029 25.707 10.938 1.00 0.00 H new ATOM 0 HA SER A 5 -7.101 23.731 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.728 23.737 11.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.332 22.657 10.373 1.00 0.00 H new ATOM 0 HG SER A 5 -3.944 24.514 10.436 1.00 0.00 H new ATOM 48 N SER A 6 -8.375 21.752 9.726 1.00 0.00 N ATOM 49 CA SER A 6 -9.227 20.633 10.112 1.00 0.00 C ATOM 50 C SER A 6 -8.501 19.708 11.083 1.00 0.00 C ATOM 51 O SER A 6 -7.280 19.566 11.029 1.00 0.00 O ATOM 52 CB SER A 6 -9.667 19.849 8.874 1.00 0.00 C ATOM 53 OG SER A 6 -8.613 19.038 8.384 1.00 0.00 O ATOM 0 H SER A 6 -8.086 21.744 8.748 1.00 0.00 H new ATOM 0 HA SER A 6 -10.109 21.035 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.526 19.225 9.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.989 20.542 8.096 1.00 0.00 H new ATOM 0 HG SER A 6 -8.919 18.546 7.594 1.00 0.00 H new ATOM 59 N GLY A 7 -9.263 19.079 11.973 1.00 0.00 N ATOM 60 CA GLY A 7 -8.676 18.174 12.945 1.00 0.00 C ATOM 61 C GLY A 7 -9.699 17.238 13.558 1.00 0.00 C ATOM 62 O GLY A 7 -9.690 17.000 14.766 1.00 0.00 O ATOM 0 H GLY A 7 -10.276 19.180 12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.893 17.587 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.199 18.754 13.735 1.00 0.00 H new ATOM 66 N THR A 8 -10.588 16.707 12.724 1.00 0.00 N ATOM 67 CA THR A 8 -11.624 15.794 13.190 1.00 0.00 C ATOM 68 C THR A 8 -11.977 14.769 12.119 1.00 0.00 C ATOM 69 O THR A 8 -12.279 15.126 10.981 1.00 0.00 O ATOM 70 CB THR A 8 -12.900 16.555 13.597 1.00 0.00 C ATOM 71 OG1 THR A 8 -12.985 17.790 12.878 1.00 0.00 O ATOM 72 CG2 THR A 8 -12.912 16.831 15.093 1.00 0.00 C ATOM 0 H THR A 8 -10.611 16.894 11.722 1.00 0.00 H new ATOM 0 HA THR A 8 -11.222 15.279 14.062 1.00 0.00 H new ATOM 0 HB THR A 8 -13.761 15.933 13.352 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.800 18.266 13.141 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.823 17.369 15.356 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.878 15.887 15.637 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.044 17.435 15.359 1.00 0.00 H new ATOM 80 N GLU A 9 -11.937 13.493 12.492 1.00 0.00 N ATOM 81 CA GLU A 9 -12.252 12.416 11.561 1.00 0.00 C ATOM 82 C GLU A 9 -13.706 11.976 11.711 1.00 0.00 C ATOM 83 O GLU A 9 -14.011 10.784 11.680 1.00 0.00 O ATOM 84 CB GLU A 9 -11.321 11.224 11.791 1.00 0.00 C ATOM 85 CG GLU A 9 -9.883 11.487 11.378 1.00 0.00 C ATOM 86 CD GLU A 9 -9.225 12.569 12.213 1.00 0.00 C ATOM 87 OE1 GLU A 9 -8.823 12.274 13.357 1.00 0.00 O ATOM 88 OE2 GLU A 9 -9.112 13.711 11.720 1.00 0.00 O ATOM 0 H GLU A 9 -11.690 13.181 13.431 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.106 12.791 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.343 10.955 12.847 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.699 10.366 11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.309 10.565 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.858 11.778 10.328 1.00 0.00 H new ATOM 95 N ASP A 10 -14.598 12.947 11.873 1.00 0.00 N ATOM 96 CA ASP A 10 -16.020 12.662 12.027 1.00 0.00 C ATOM 97 C ASP A 10 -16.785 13.011 10.754 1.00 0.00 C ATOM 98 O ASP A 10 -17.556 12.201 10.240 1.00 0.00 O ATOM 99 CB ASP A 10 -16.593 13.441 13.212 1.00 0.00 C ATOM 100 CG ASP A 10 -17.925 12.888 13.679 1.00 0.00 C ATOM 101 OD1 ASP A 10 -18.891 12.925 12.889 1.00 0.00 O ATOM 102 OD2 ASP A 10 -18.001 12.420 14.834 1.00 0.00 O ATOM 0 H ASP A 10 -14.361 13.939 11.901 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.133 11.594 12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.882 13.415 14.038 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.716 14.487 12.930 1.00 0.00 H new ATOM 107 N SER A 11 -16.567 14.222 10.252 1.00 0.00 N ATOM 108 CA SER A 11 -17.240 14.681 9.043 1.00 0.00 C ATOM 109 C SER A 11 -16.246 14.848 7.898 1.00 0.00 C ATOM 110 O SER A 11 -16.260 15.856 7.190 1.00 0.00 O ATOM 111 CB SER A 11 -17.961 16.004 9.305 1.00 0.00 C ATOM 112 OG SER A 11 -17.038 17.036 9.607 1.00 0.00 O ATOM 0 H SER A 11 -15.929 14.903 10.664 1.00 0.00 H new ATOM 0 HA SER A 11 -17.973 13.927 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.548 16.282 8.430 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.660 15.883 10.133 1.00 0.00 H new ATOM 0 HG SER A 11 -17.523 17.872 9.769 1.00 0.00 H new ATOM 118 N LEU A 12 -15.383 13.853 7.722 1.00 0.00 N ATOM 119 CA LEU A 12 -14.380 13.889 6.663 1.00 0.00 C ATOM 120 C LEU A 12 -15.040 13.954 5.290 1.00 0.00 C ATOM 121 O LEU A 12 -16.259 13.835 5.170 1.00 0.00 O ATOM 122 CB LEU A 12 -13.476 12.658 6.749 1.00 0.00 C ATOM 123 CG LEU A 12 -12.315 12.746 7.740 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.907 11.358 8.209 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.131 13.467 7.112 1.00 0.00 C ATOM 0 H LEU A 12 -15.358 13.012 8.299 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.776 14.786 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.091 11.798 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.067 12.462 5.758 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.646 13.318 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.079 11.441 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.753 10.876 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.595 10.761 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.314 13.520 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.801 12.922 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.429 14.476 6.826 1.00 0.00 H new ATOM 137 N MET A 13 -14.226 14.142 4.256 1.00 0.00 N ATOM 138 CA MET A 13 -14.732 14.220 2.890 1.00 0.00 C ATOM 139 C MET A 13 -15.034 12.829 2.343 1.00 0.00 C ATOM 140 O MET A 13 -14.321 11.861 2.611 1.00 0.00 O ATOM 141 CB MET A 13 -13.718 14.926 1.988 1.00 0.00 C ATOM 142 CG MET A 13 -14.359 15.777 0.903 1.00 0.00 C ATOM 143 SD MET A 13 -13.279 17.102 0.331 1.00 0.00 S ATOM 144 CE MET A 13 -13.167 18.110 1.807 1.00 0.00 C ATOM 0 H MET A 13 -13.214 14.243 4.338 1.00 0.00 H new ATOM 0 HA MET A 13 -15.658 14.795 2.904 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.076 15.558 2.602 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.077 14.178 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.626 15.141 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.285 16.207 1.284 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.987 19.148 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.100 18.042 2.366 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.345 17.755 2.429 1.00 0.00 H new ATOM 154 N PRO A 14 -16.117 12.723 1.557 1.00 0.00 N ATOM 155 CA PRO A 14 -16.537 11.454 0.956 1.00 0.00 C ATOM 156 C PRO A 14 -15.580 10.983 -0.134 1.00 0.00 C ATOM 157 O PRO A 14 -14.510 11.560 -0.323 1.00 0.00 O ATOM 158 CB PRO A 14 -17.908 11.783 0.358 1.00 0.00 C ATOM 159 CG PRO A 14 -17.870 13.251 0.107 1.00 0.00 C ATOM 160 CD PRO A 14 -17.012 13.835 1.195 1.00 0.00 C ATOM 0 HA PRO A 14 -16.557 10.644 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.081 11.228 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.713 11.520 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.454 13.468 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.873 13.677 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.453 14.703 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.610 14.163 2.045 1.00 0.00 H new ATOM 168 N GLU A 15 -15.973 9.932 -0.847 1.00 0.00 N ATOM 169 CA GLU A 15 -15.148 9.385 -1.917 1.00 0.00 C ATOM 170 C GLU A 15 -15.567 9.951 -3.271 1.00 0.00 C ATOM 171 O GLU A 15 -14.741 10.474 -4.018 1.00 0.00 O ATOM 172 CB GLU A 15 -15.247 7.858 -1.937 1.00 0.00 C ATOM 173 CG GLU A 15 -14.043 7.178 -2.567 1.00 0.00 C ATOM 174 CD GLU A 15 -14.200 5.672 -2.648 1.00 0.00 C ATOM 175 OE1 GLU A 15 -14.949 5.200 -3.529 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.575 4.965 -1.830 1.00 0.00 O ATOM 0 H GLU A 15 -16.857 9.443 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.114 9.673 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.364 7.497 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.145 7.568 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.888 7.578 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.151 7.416 -1.987 1.00 0.00 H new ATOM 183 N GLU A 16 -16.855 9.841 -3.579 1.00 0.00 N ATOM 184 CA GLU A 16 -17.383 10.340 -4.843 1.00 0.00 C ATOM 185 C GLU A 16 -16.763 11.688 -5.197 1.00 0.00 C ATOM 186 O GLU A 16 -16.168 11.848 -6.262 1.00 0.00 O ATOM 187 CB GLU A 16 -18.906 10.471 -4.769 1.00 0.00 C ATOM 188 CG GLU A 16 -19.629 9.137 -4.684 1.00 0.00 C ATOM 189 CD GLU A 16 -19.837 8.676 -3.255 1.00 0.00 C ATOM 190 OE1 GLU A 16 -18.875 8.157 -2.652 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.964 8.835 -2.739 1.00 0.00 O ATOM 0 H GLU A 16 -17.552 9.411 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.124 9.624 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.168 11.073 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.259 11.010 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.596 9.220 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.057 8.383 -5.225 1.00 0.00 H new ATOM 198 N GLU A 17 -16.906 12.655 -4.295 1.00 0.00 N ATOM 199 CA GLU A 17 -16.361 13.989 -4.514 1.00 0.00 C ATOM 200 C GLU A 17 -14.835 13.961 -4.512 1.00 0.00 C ATOM 201 O GLU A 17 -14.192 14.514 -5.405 1.00 0.00 O ATOM 202 CB GLU A 17 -16.865 14.953 -3.437 1.00 0.00 C ATOM 203 CG GLU A 17 -16.255 16.341 -3.529 1.00 0.00 C ATOM 204 CD GLU A 17 -17.045 17.266 -4.435 1.00 0.00 C ATOM 205 OE1 GLU A 17 -17.265 16.901 -5.608 1.00 0.00 O ATOM 206 OE2 GLU A 17 -17.443 18.355 -3.970 1.00 0.00 O ATOM 0 H GLU A 17 -17.394 12.539 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.700 14.336 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.949 15.036 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.646 14.534 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.199 16.776 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.233 16.261 -3.900 1.00 0.00 H new ATOM 213 N PHE A 18 -14.262 13.312 -3.503 1.00 0.00 N ATOM 214 CA PHE A 18 -12.813 13.212 -3.384 1.00 0.00 C ATOM 215 C PHE A 18 -12.167 13.004 -4.751 1.00 0.00 C ATOM 216 O PHE A 18 -11.397 13.843 -5.220 1.00 0.00 O ATOM 217 CB PHE A 18 -12.435 12.061 -2.449 1.00 0.00 C ATOM 218 CG PHE A 18 -10.962 11.767 -2.425 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.124 12.432 -1.544 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.416 10.826 -3.282 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.769 12.163 -1.520 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.061 10.553 -3.263 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.237 11.222 -2.379 1.00 0.00 C ATOM 0 H PHE A 18 -14.780 12.848 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.443 14.148 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.766 12.301 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.972 11.163 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.535 13.168 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.057 10.299 -3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.126 12.689 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.648 9.818 -3.938 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.178 11.009 -2.360 1.00 0.00 H new ATOM 233 N LEU A 19 -12.486 11.882 -5.385 1.00 0.00 N ATOM 234 CA LEU A 19 -11.938 11.562 -6.698 1.00 0.00 C ATOM 235 C LEU A 19 -11.987 12.776 -7.619 1.00 0.00 C ATOM 236 O LEU A 19 -11.032 13.058 -8.343 1.00 0.00 O ATOM 237 CB LEU A 19 -12.710 10.400 -7.326 1.00 0.00 C ATOM 238 CG LEU A 19 -12.854 9.145 -6.463 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.661 8.084 -7.194 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.484 8.604 -6.077 1.00 0.00 C ATOM 0 H LEU A 19 -13.122 11.178 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.896 11.270 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.707 10.752 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.215 10.122 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.388 9.413 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.753 7.199 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.654 8.473 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.156 7.818 -8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.605 7.711 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.925 8.352 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.940 9.361 -5.513 1.00 0.00 H new ATOM 252 N ARG A 20 -13.106 13.493 -7.585 1.00 0.00 N ATOM 253 CA ARG A 20 -13.279 14.679 -8.416 1.00 0.00 C ATOM 254 C ARG A 20 -12.297 15.774 -8.012 1.00 0.00 C ATOM 255 O ARG A 20 -11.886 16.589 -8.838 1.00 0.00 O ATOM 256 CB ARG A 20 -14.714 15.199 -8.307 1.00 0.00 C ATOM 257 CG ARG A 20 -15.766 14.166 -8.676 1.00 0.00 C ATOM 258 CD ARG A 20 -17.150 14.590 -8.212 1.00 0.00 C ATOM 259 NE ARG A 20 -18.035 13.446 -8.013 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.706 12.856 -8.995 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.593 13.299 -10.240 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.492 11.819 -8.734 1.00 0.00 N ATOM 0 H ARG A 20 -13.906 13.273 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.079 14.400 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.892 15.538 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.827 16.068 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.772 14.021 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.509 13.207 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.064 15.148 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.588 15.264 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.144 13.080 -7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.989 14.095 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.110 12.844 -10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.581 11.474 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.007 11.367 -9.489 1.00 0.00 H new ATOM 276 N ARG A 21 -11.927 15.788 -6.736 1.00 0.00 N ATOM 277 CA ARG A 21 -10.995 16.784 -6.221 1.00 0.00 C ATOM 278 C ARG A 21 -9.552 16.312 -6.379 1.00 0.00 C ATOM 279 O ARG A 21 -8.784 16.882 -7.152 1.00 0.00 O ATOM 280 CB ARG A 21 -11.289 17.076 -4.748 1.00 0.00 C ATOM 281 CG ARG A 21 -12.488 17.986 -4.535 1.00 0.00 C ATOM 282 CD ARG A 21 -12.735 18.245 -3.058 1.00 0.00 C ATOM 283 NE ARG A 21 -11.614 18.937 -2.428 1.00 0.00 N ATOM 284 CZ ARG A 21 -11.349 20.226 -2.611 1.00 0.00 C ATOM 285 NH1 ARG A 21 -12.121 20.959 -3.401 1.00 0.00 N ATOM 286 NH2 ARG A 21 -10.310 20.784 -2.003 1.00 0.00 N ATOM 0 H ARG A 21 -12.258 15.121 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.125 17.699 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.461 16.134 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.410 17.535 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.323 18.933 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.374 17.532 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.640 18.841 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.909 17.297 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.001 18.401 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.921 20.534 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.915 21.948 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.714 20.223 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.108 21.774 -2.144 1.00 0.00 H new ATOM 300 N ASN A 22 -9.193 15.268 -5.640 1.00 0.00 N ATOM 301 CA ASN A 22 -7.842 14.720 -5.697 1.00 0.00 C ATOM 302 C ASN A 22 -7.688 13.777 -6.887 1.00 0.00 C ATOM 303 O ASN A 22 -7.946 12.578 -6.781 1.00 0.00 O ATOM 304 CB ASN A 22 -7.515 13.979 -4.399 1.00 0.00 C ATOM 305 CG ASN A 22 -7.633 14.871 -3.179 1.00 0.00 C ATOM 306 OD1 ASN A 22 -8.833 14.944 -2.613 1.00 0.00 O flip ATOM 307 ND2 ASN A 22 -6.658 15.487 -2.749 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.818 14.784 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.145 15.549 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.188 13.128 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.503 13.579 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.755 15.402 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.753 16.083 -1.927 1.00 0.00 H new ATOM 314 N LYS A 23 -7.264 14.328 -8.019 1.00 0.00 N ATOM 315 CA LYS A 23 -7.072 13.538 -9.230 1.00 0.00 C ATOM 316 C LYS A 23 -5.847 12.636 -9.103 1.00 0.00 C ATOM 317 O LYS A 23 -5.846 11.504 -9.583 1.00 0.00 O ATOM 318 CB LYS A 23 -6.919 14.456 -10.444 1.00 0.00 C ATOM 319 CG LYS A 23 -8.239 14.986 -10.976 1.00 0.00 C ATOM 320 CD LYS A 23 -8.089 15.551 -12.379 1.00 0.00 C ATOM 321 CE LYS A 23 -9.441 15.859 -13.004 1.00 0.00 C ATOM 322 NZ LYS A 23 -10.113 17.007 -12.335 1.00 0.00 N ATOM 0 H LYS A 23 -7.047 15.319 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.952 12.909 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.281 15.298 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.409 13.912 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.978 14.184 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.616 15.761 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.488 16.460 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.552 14.837 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.309 16.082 -14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.079 14.978 -12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.031 17.185 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.262 16.784 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.516 17.855 -12.417 1.00 0.00 H new ATOM 336 N GLY A 24 -4.807 13.148 -8.452 1.00 0.00 N ATOM 337 CA GLY A 24 -3.592 12.375 -8.272 1.00 0.00 C ATOM 338 C GLY A 24 -2.844 12.160 -9.574 1.00 0.00 C ATOM 339 O GLY A 24 -3.103 12.820 -10.580 1.00 0.00 O ATOM 0 H GLY A 24 -4.784 14.084 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.941 12.886 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.841 11.408 -7.836 1.00 0.00 H new ATOM 343 N PRO A 25 -1.890 11.217 -9.564 1.00 0.00 N ATOM 344 CA PRO A 25 -1.572 10.425 -8.372 1.00 0.00 C ATOM 345 C PRO A 25 -0.898 11.257 -7.286 1.00 0.00 C ATOM 346 O PRO A 25 -0.400 12.352 -7.548 1.00 0.00 O ATOM 347 CB PRO A 25 -0.611 9.358 -8.901 1.00 0.00 C ATOM 348 CG PRO A 25 0.009 9.972 -10.108 1.00 0.00 C ATOM 349 CD PRO A 25 -1.048 10.852 -10.715 1.00 0.00 C ATOM 0 HA PRO A 25 -2.467 10.017 -7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.142 9.100 -8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.140 8.438 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.893 10.551 -9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.331 9.206 -10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.614 11.732 -11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.619 10.325 -11.480 1.00 0.00 H new ATOM 357 N VAL A 26 -0.886 10.730 -6.065 1.00 0.00 N ATOM 358 CA VAL A 26 -0.272 11.424 -4.940 1.00 0.00 C ATOM 359 C VAL A 26 1.088 10.824 -4.601 1.00 0.00 C ATOM 360 O VAL A 26 1.438 9.744 -5.076 1.00 0.00 O ATOM 361 CB VAL A 26 -1.170 11.370 -3.689 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.492 12.074 -3.951 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.400 9.928 -3.261 1.00 0.00 C ATOM 0 H VAL A 26 -1.294 9.825 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.143 12.464 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.664 11.890 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.113 12.026 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.304 13.117 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.007 11.585 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.036 9.908 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.886 9.382 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.443 9.460 -3.030 1.00 0.00 H new ATOM 373 N SER A 27 1.853 11.534 -3.776 1.00 0.00 N ATOM 374 CA SER A 27 3.177 11.073 -3.376 1.00 0.00 C ATOM 375 C SER A 27 3.253 10.885 -1.864 1.00 0.00 C ATOM 376 O SER A 27 3.324 11.856 -1.110 1.00 0.00 O ATOM 377 CB SER A 27 4.246 12.069 -3.832 1.00 0.00 C ATOM 378 OG SER A 27 5.491 11.424 -4.035 1.00 0.00 O ATOM 0 H SER A 27 1.578 12.430 -3.372 1.00 0.00 H new ATOM 0 HA SER A 27 3.359 10.110 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.928 12.551 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.358 12.855 -3.085 1.00 0.00 H new ATOM 0 HG SER A 27 6.156 12.082 -4.327 1.00 0.00 H new ATOM 384 N ILE A 28 3.237 9.630 -1.429 1.00 0.00 N ATOM 385 CA ILE A 28 3.305 9.314 -0.007 1.00 0.00 C ATOM 386 C ILE A 28 4.673 8.755 0.367 1.00 0.00 C ATOM 387 O ILE A 28 5.198 7.865 -0.304 1.00 0.00 O ATOM 388 CB ILE A 28 2.220 8.298 0.396 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.551 6.914 -0.168 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.854 8.760 -0.090 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.343 6.047 0.785 1.00 0.00 C ATOM 0 H ILE A 28 3.178 8.815 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 28 3.137 10.246 0.532 1.00 0.00 H new ATOM 0 HB ILE A 28 2.194 8.230 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.623 6.404 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.116 7.033 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.098 8.031 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.617 9.727 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.867 8.853 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.541 5.082 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.288 6.536 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.772 5.897 1.701 1.00 0.00 H new ATOM 403 N LYS A 29 5.247 9.281 1.444 1.00 0.00 N ATOM 404 CA LYS A 29 6.553 8.833 1.911 1.00 0.00 C ATOM 405 C LYS A 29 6.409 7.813 3.036 1.00 0.00 C ATOM 406 O LYS A 29 5.706 8.053 4.018 1.00 0.00 O ATOM 407 CB LYS A 29 7.382 10.026 2.393 1.00 0.00 C ATOM 408 CG LYS A 29 8.862 9.721 2.535 1.00 0.00 C ATOM 409 CD LYS A 29 9.599 10.849 3.238 1.00 0.00 C ATOM 410 CE LYS A 29 9.988 11.952 2.266 1.00 0.00 C ATOM 411 NZ LYS A 29 11.225 12.661 2.696 1.00 0.00 N ATOM 0 H LYS A 29 4.827 10.019 2.010 1.00 0.00 H new ATOM 0 HA LYS A 29 7.065 8.356 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.256 10.852 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.995 10.361 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.991 8.795 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.297 9.560 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.968 11.262 4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.494 10.455 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.140 11.525 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.170 12.667 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.456 13.405 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.072 13.090 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.012 11.984 2.751 1.00 0.00 H new ATOM 425 N VAL A 30 7.079 6.675 2.886 1.00 0.00 N ATOM 426 CA VAL A 30 7.027 5.620 3.891 1.00 0.00 C ATOM 427 C VAL A 30 8.241 5.678 4.812 1.00 0.00 C ATOM 428 O VAL A 30 9.354 5.339 4.410 1.00 0.00 O ATOM 429 CB VAL A 30 6.958 4.226 3.238 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.067 3.136 4.294 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.674 4.078 2.436 1.00 0.00 C ATOM 0 H VAL A 30 7.664 6.460 2.079 1.00 0.00 H new ATOM 0 HA VAL A 30 6.122 5.784 4.476 1.00 0.00 H new ATOM 0 HB VAL A 30 7.800 4.121 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.016 2.158 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.016 3.233 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.246 3.234 5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.641 3.088 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.816 4.203 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.644 4.837 1.655 1.00 0.00 H new ATOM 441 N GLN A 31 8.018 6.108 6.049 1.00 0.00 N ATOM 442 CA GLN A 31 9.094 6.211 7.028 1.00 0.00 C ATOM 443 C GLN A 31 9.611 4.829 7.415 1.00 0.00 C ATOM 444 O GLN A 31 8.945 4.085 8.135 1.00 0.00 O ATOM 445 CB GLN A 31 8.610 6.955 8.274 1.00 0.00 C ATOM 446 CG GLN A 31 9.731 7.335 9.228 1.00 0.00 C ATOM 447 CD GLN A 31 10.335 6.133 9.928 1.00 0.00 C ATOM 448 OE1 GLN A 31 9.617 5.265 10.425 1.00 0.00 O ATOM 449 NE2 GLN A 31 11.661 6.076 9.969 1.00 0.00 N ATOM 0 H GLN A 31 7.102 6.391 6.398 1.00 0.00 H new ATOM 0 HA GLN A 31 9.912 6.771 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.084 7.859 7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.890 6.331 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.511 7.859 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.347 8.030 9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.217 6.818 9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.124 5.290 10.426 1.00 0.00 H new ATOM 458 N VAL A 32 10.803 4.492 6.933 1.00 0.00 N ATOM 459 CA VAL A 32 11.410 3.199 7.229 1.00 0.00 C ATOM 460 C VAL A 32 12.379 3.303 8.401 1.00 0.00 C ATOM 461 O VAL A 32 13.456 3.891 8.297 1.00 0.00 O ATOM 462 CB VAL A 32 12.158 2.637 6.006 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.705 1.250 6.306 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.244 2.607 4.790 1.00 0.00 C ATOM 0 H VAL A 32 11.368 5.096 6.336 1.00 0.00 H new ATOM 0 HA VAL A 32 10.598 2.521 7.492 1.00 0.00 H new ATOM 0 HB VAL A 32 12.999 3.293 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.230 0.869 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.395 1.305 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.882 0.580 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.789 2.207 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.381 1.974 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.906 3.618 4.564 1.00 0.00 H new ATOM 474 N PRO A 33 11.991 2.719 9.544 1.00 0.00 N ATOM 475 CA PRO A 33 12.812 2.731 10.758 1.00 0.00 C ATOM 476 C PRO A 33 14.059 1.863 10.623 1.00 0.00 C ATOM 477 O PRO A 33 14.124 0.984 9.766 1.00 0.00 O ATOM 478 CB PRO A 33 11.876 2.160 11.825 1.00 0.00 C ATOM 479 CG PRO A 33 10.904 1.322 11.068 1.00 0.00 C ATOM 480 CD PRO A 33 10.720 2.001 9.739 1.00 0.00 C ATOM 0 HA PRO A 33 13.184 3.729 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.425 1.567 12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.370 2.954 12.374 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.281 0.307 10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.957 1.245 11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.539 1.281 8.941 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.870 2.684 9.751 1.00 0.00 H new ATOM 488 N ASN A 34 15.046 2.117 11.476 1.00 0.00 N ATOM 489 CA ASN A 34 16.291 1.358 11.452 1.00 0.00 C ATOM 490 C ASN A 34 16.273 0.250 12.500 1.00 0.00 C ATOM 491 O ASN A 34 16.350 0.515 13.699 1.00 0.00 O ATOM 492 CB ASN A 34 17.483 2.286 11.695 1.00 0.00 C ATOM 493 CG ASN A 34 18.734 1.528 12.095 1.00 0.00 C ATOM 494 OD1 ASN A 34 19.403 0.924 11.255 1.00 0.00 O ATOM 495 ND2 ASN A 34 19.056 1.555 13.383 1.00 0.00 N ATOM 0 H ASN A 34 15.008 2.842 12.192 1.00 0.00 H new ATOM 0 HA ASN A 34 16.390 0.901 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.683 2.860 10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.229 3.001 12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.887 1.063 13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.473 2.068 14.044 1.00 0.00 H new ATOM 502 N MET A 35 16.172 -0.993 12.039 1.00 0.00 N ATOM 503 CA MET A 35 16.146 -2.142 12.936 1.00 0.00 C ATOM 504 C MET A 35 17.533 -2.764 13.062 1.00 0.00 C ATOM 505 O MET A 35 17.981 -3.486 12.172 1.00 0.00 O ATOM 506 CB MET A 35 15.149 -3.187 12.433 1.00 0.00 C ATOM 507 CG MET A 35 13.737 -2.982 12.959 1.00 0.00 C ATOM 508 SD MET A 35 12.761 -4.498 12.934 1.00 0.00 S ATOM 509 CE MET A 35 11.986 -4.428 14.548 1.00 0.00 C ATOM 0 H MET A 35 16.107 -1.230 11.049 1.00 0.00 H new ATOM 0 HA MET A 35 15.831 -1.796 13.921 1.00 0.00 H new ATOM 0 HB2 MET A 35 15.129 -3.164 11.343 1.00 0.00 H new ATOM 0 HB3 MET A 35 15.496 -4.178 12.724 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.785 -2.602 13.979 1.00 0.00 H new ATOM 0 HG3 MET A 35 13.236 -2.222 12.359 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.478 -5.371 14.749 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.747 -4.256 15.310 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.262 -3.614 14.569 1.00 0.00 H new ATOM 519 N GLN A 36 18.206 -2.480 14.173 1.00 0.00 N ATOM 520 CA GLN A 36 19.542 -3.012 14.413 1.00 0.00 C ATOM 521 C GLN A 36 19.508 -4.531 14.542 1.00 0.00 C ATOM 522 O GLN A 36 20.483 -5.213 14.228 1.00 0.00 O ATOM 523 CB GLN A 36 20.140 -2.394 15.678 1.00 0.00 C ATOM 524 CG GLN A 36 21.627 -2.663 15.842 1.00 0.00 C ATOM 525 CD GLN A 36 22.158 -2.204 17.186 1.00 0.00 C ATOM 526 OE1 GLN A 36 21.933 -2.850 18.209 1.00 0.00 O ATOM 527 NE2 GLN A 36 22.870 -1.083 17.190 1.00 0.00 N ATOM 0 H GLN A 36 17.848 -1.885 14.920 1.00 0.00 H new ATOM 0 HA GLN A 36 20.168 -2.752 13.559 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.974 -1.317 15.660 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.611 -2.783 16.548 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.814 -3.731 15.727 1.00 0.00 H new ATOM 0 HG3 GLN A 36 22.174 -2.156 15.047 1.00 0.00 H new ATOM 0 HE21 GLN A 36 23.032 -0.579 16.318 1.00 0.00 H new ATOM 0 HE22 GLN A 36 23.255 -0.726 18.065 1.00 0.00 H new ATOM 536 N ASP A 37 18.379 -5.055 15.007 1.00 0.00 N ATOM 537 CA ASP A 37 18.217 -6.494 15.177 1.00 0.00 C ATOM 538 C ASP A 37 18.802 -7.251 13.988 1.00 0.00 C ATOM 539 O ASP A 37 19.261 -8.385 14.126 1.00 0.00 O ATOM 540 CB ASP A 37 16.738 -6.847 15.343 1.00 0.00 C ATOM 541 CG ASP A 37 16.215 -6.511 16.726 1.00 0.00 C ATOM 542 OD1 ASP A 37 16.655 -7.157 17.700 1.00 0.00 O ATOM 543 OD2 ASP A 37 15.367 -5.601 16.835 1.00 0.00 O ATOM 0 H ASP A 37 17.563 -4.504 15.273 1.00 0.00 H new ATOM 0 HA ASP A 37 18.757 -6.791 16.076 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.153 -6.310 14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.598 -7.911 15.153 1.00 0.00 H new ATOM 548 N LYS A 38 18.781 -6.617 12.821 1.00 0.00 N ATOM 549 CA LYS A 38 19.310 -7.229 11.608 1.00 0.00 C ATOM 550 C LYS A 38 18.436 -8.398 11.163 1.00 0.00 C ATOM 551 O LYS A 38 18.941 -9.466 10.813 1.00 0.00 O ATOM 552 CB LYS A 38 20.745 -7.708 11.837 1.00 0.00 C ATOM 553 CG LYS A 38 21.459 -8.121 10.561 1.00 0.00 C ATOM 554 CD LYS A 38 22.095 -6.928 9.868 1.00 0.00 C ATOM 555 CE LYS A 38 23.427 -6.560 10.502 1.00 0.00 C ATOM 556 NZ LYS A 38 24.190 -5.590 9.668 1.00 0.00 N ATOM 0 H LYS A 38 18.403 -5.679 12.689 1.00 0.00 H new ATOM 0 HA LYS A 38 19.307 -6.476 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.312 -6.912 12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.732 -8.553 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.226 -8.859 10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 38 20.751 -8.601 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 38 22.244 -7.156 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 38 21.419 -6.074 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.253 -6.132 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.022 -7.462 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.092 -5.365 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.378 -6.008 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.633 -4.719 9.552 1.00 0.00 H new ATOM 570 N THR A 39 17.123 -8.190 11.179 1.00 0.00 N ATOM 571 CA THR A 39 16.181 -9.226 10.777 1.00 0.00 C ATOM 572 C THR A 39 16.140 -9.374 9.261 1.00 0.00 C ATOM 573 O THR A 39 16.923 -8.750 8.546 1.00 0.00 O ATOM 574 CB THR A 39 14.760 -8.922 11.290 1.00 0.00 C ATOM 575 OG1 THR A 39 13.864 -9.968 10.899 1.00 0.00 O ATOM 576 CG2 THR A 39 14.262 -7.591 10.749 1.00 0.00 C ATOM 0 H THR A 39 16.688 -7.313 11.466 1.00 0.00 H new ATOM 0 HA THR A 39 16.529 -10.159 11.221 1.00 0.00 H new ATOM 0 HB THR A 39 14.795 -8.863 12.378 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.228 -10.833 11.182 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.257 -7.398 11.125 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.930 -6.793 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.241 -7.626 9.660 1.00 0.00 H new ATOM 584 N GLU A 40 15.221 -10.204 8.776 1.00 0.00 N ATOM 585 CA GLU A 40 15.079 -10.434 7.343 1.00 0.00 C ATOM 586 C GLU A 40 14.238 -9.336 6.697 1.00 0.00 C ATOM 587 O GLU A 40 13.502 -9.585 5.743 1.00 0.00 O ATOM 588 CB GLU A 40 14.441 -11.800 7.084 1.00 0.00 C ATOM 589 CG GLU A 40 13.013 -11.911 7.590 1.00 0.00 C ATOM 590 CD GLU A 40 12.249 -13.047 6.937 1.00 0.00 C ATOM 591 OE1 GLU A 40 11.850 -12.897 5.764 1.00 0.00 O ATOM 592 OE2 GLU A 40 12.051 -14.086 7.601 1.00 0.00 O ATOM 0 H GLU A 40 14.564 -10.728 9.354 1.00 0.00 H new ATOM 0 HA GLU A 40 16.074 -10.416 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.454 -12.000 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.047 -12.571 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.025 -12.059 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.491 -10.972 7.403 1.00 0.00 H new ATOM 599 N TRP A 41 14.353 -8.123 7.225 1.00 0.00 N ATOM 600 CA TRP A 41 13.603 -6.988 6.701 1.00 0.00 C ATOM 601 C TRP A 41 14.541 -5.857 6.294 1.00 0.00 C ATOM 602 O TRP A 41 15.429 -5.469 7.054 1.00 0.00 O ATOM 603 CB TRP A 41 12.602 -6.486 7.742 1.00 0.00 C ATOM 604 CG TRP A 41 11.602 -7.525 8.153 1.00 0.00 C ATOM 605 CD1 TRP A 41 11.192 -8.603 7.422 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.886 -7.583 9.392 1.00 0.00 C ATOM 607 NE1 TRP A 41 10.264 -9.327 8.131 1.00 0.00 N ATOM 608 CE2 TRP A 41 10.060 -8.722 9.343 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.864 -6.784 10.538 1.00 0.00 C ATOM 610 CZ2 TRP A 41 9.222 -9.080 10.395 1.00 0.00 C ATOM 611 CZ3 TRP A 41 10.032 -7.140 11.582 1.00 0.00 C ATOM 612 CH2 TRP A 41 9.220 -8.279 11.506 1.00 0.00 C ATOM 0 H TRP A 41 14.958 -7.900 8.015 1.00 0.00 H new ATOM 0 HA TRP A 41 13.060 -7.321 5.817 1.00 0.00 H new ATOM 0 HB2 TRP A 41 13.145 -6.146 8.624 1.00 0.00 H new ATOM 0 HB3 TRP A 41 12.073 -5.622 7.340 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.545 -8.850 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.802 -10.177 7.807 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.486 -5.904 10.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.596 -9.958 10.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.007 -6.529 12.472 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.580 -8.530 12.339 1.00 0.00 H new ATOM 623 N LYS A 42 14.339 -5.330 5.091 1.00 0.00 N ATOM 624 CA LYS A 42 15.166 -4.242 4.583 1.00 0.00 C ATOM 625 C LYS A 42 14.868 -2.941 5.322 1.00 0.00 C ATOM 626 O LYS A 42 14.270 -2.021 4.763 1.00 0.00 O ATOM 627 CB LYS A 42 14.932 -4.053 3.083 1.00 0.00 C ATOM 628 CG LYS A 42 15.346 -5.252 2.247 1.00 0.00 C ATOM 629 CD LYS A 42 16.782 -5.128 1.766 1.00 0.00 C ATOM 630 CE LYS A 42 17.748 -5.830 2.707 1.00 0.00 C ATOM 631 NZ LYS A 42 19.168 -5.574 2.337 1.00 0.00 N ATOM 0 H LYS A 42 13.609 -5.639 4.449 1.00 0.00 H new ATOM 0 HA LYS A 42 16.210 -4.504 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.875 -3.849 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.485 -3.177 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.236 -6.163 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.681 -5.345 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.870 -5.555 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.051 -4.075 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.572 -5.491 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.556 -6.903 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.795 -6.070 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.343 -5.921 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.359 -4.552 2.378 1.00 0.00 H new ATOM 645 N LEU A 43 15.289 -2.871 6.580 1.00 0.00 N ATOM 646 CA LEU A 43 15.068 -1.682 7.396 1.00 0.00 C ATOM 647 C LEU A 43 16.394 -1.038 7.790 1.00 0.00 C ATOM 648 O LEU A 43 17.055 -1.479 8.728 1.00 0.00 O ATOM 649 CB LEU A 43 14.270 -2.041 8.650 1.00 0.00 C ATOM 650 CG LEU A 43 12.947 -2.772 8.418 1.00 0.00 C ATOM 651 CD1 LEU A 43 12.437 -3.378 9.716 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.912 -1.828 7.824 1.00 0.00 C ATOM 0 H LEU A 43 15.785 -3.624 7.057 1.00 0.00 H new ATOM 0 HA LEU A 43 14.499 -0.966 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.897 -2.661 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.063 -1.123 9.200 1.00 0.00 H new ATOM 0 HG LEU A 43 13.121 -3.580 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.495 -3.894 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.170 -4.088 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.280 -2.587 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.977 -2.366 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.741 -0.998 8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.275 -1.443 6.871 1.00 0.00 H new ATOM 664 N ASN A 44 16.774 0.011 7.066 1.00 0.00 N ATOM 665 CA ASN A 44 18.020 0.717 7.341 1.00 0.00 C ATOM 666 C ASN A 44 17.806 2.227 7.316 1.00 0.00 C ATOM 667 O ASN A 44 18.342 2.927 6.457 1.00 0.00 O ATOM 668 CB ASN A 44 19.089 0.325 6.319 1.00 0.00 C ATOM 669 CG ASN A 44 20.493 0.622 6.809 1.00 0.00 C ATOM 670 OD1 ASN A 44 20.783 0.514 8.000 1.00 0.00 O ATOM 671 ND2 ASN A 44 21.373 0.999 5.888 1.00 0.00 N ATOM 0 H ASN A 44 16.237 0.390 6.286 1.00 0.00 H new ATOM 0 HA ASN A 44 18.358 0.432 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 44 19.002 -0.738 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 44 18.911 0.862 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 44 22.333 1.212 6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 44 21.088 1.075 4.911 1.00 0.00 H new ATOM 678 N GLY A 45 17.019 2.724 8.266 1.00 0.00 N ATOM 679 CA GLY A 45 16.748 4.148 8.335 1.00 0.00 C ATOM 680 C GLY A 45 16.695 4.795 6.965 1.00 0.00 C ATOM 681 O GLY A 45 17.705 5.294 6.469 1.00 0.00 O ATOM 0 H GLY A 45 16.565 2.166 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.799 4.310 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.520 4.633 8.933 1.00 0.00 H new ATOM 685 N GLN A 46 15.515 4.787 6.354 1.00 0.00 N ATOM 686 CA GLN A 46 15.336 5.376 5.032 1.00 0.00 C ATOM 687 C GLN A 46 13.870 5.714 4.781 1.00 0.00 C ATOM 688 O GLN A 46 13.027 5.558 5.663 1.00 0.00 O ATOM 689 CB GLN A 46 15.843 4.419 3.951 1.00 0.00 C ATOM 690 CG GLN A 46 15.139 3.072 3.952 1.00 0.00 C ATOM 691 CD GLN A 46 15.896 2.018 3.168 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.963 2.286 2.616 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.346 0.811 3.115 1.00 0.00 N ATOM 0 H GLN A 46 14.669 4.380 6.753 1.00 0.00 H new ATOM 0 HA GLN A 46 15.915 6.299 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.714 4.886 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.912 4.261 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.012 2.733 4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.141 3.187 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.460 0.633 3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.810 0.061 2.602 1.00 0.00 H new ATOM 702 N GLY A 47 13.574 6.179 3.571 1.00 0.00 N ATOM 703 CA GLY A 47 12.209 6.532 3.226 1.00 0.00 C ATOM 704 C GLY A 47 11.819 6.054 1.841 1.00 0.00 C ATOM 705 O GLY A 47 12.519 6.320 0.864 1.00 0.00 O ATOM 0 H GLY A 47 14.255 6.317 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.529 6.101 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.092 7.614 3.280 1.00 0.00 H new ATOM 709 N LEU A 48 10.699 5.344 1.756 1.00 0.00 N ATOM 710 CA LEU A 48 10.217 4.825 0.481 1.00 0.00 C ATOM 711 C LEU A 48 8.987 5.594 0.010 1.00 0.00 C ATOM 712 O LEU A 48 7.911 5.486 0.599 1.00 0.00 O ATOM 713 CB LEU A 48 9.885 3.337 0.606 1.00 0.00 C ATOM 714 CG LEU A 48 11.012 2.439 1.118 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.510 1.019 1.326 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.187 2.455 0.152 1.00 0.00 C ATOM 0 H LEU A 48 10.108 5.115 2.555 1.00 0.00 H new ATOM 0 HA LEU A 48 11.008 4.954 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.031 3.231 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.572 2.972 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 48 11.352 2.827 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.326 0.394 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.701 1.022 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.143 0.621 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.980 1.811 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.861 2.093 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.563 3.473 0.054 1.00 0.00 H new ATOM 728 N VAL A 49 9.153 6.371 -1.056 1.00 0.00 N ATOM 729 CA VAL A 49 8.055 7.155 -1.609 1.00 0.00 C ATOM 730 C VAL A 49 7.402 6.436 -2.783 1.00 0.00 C ATOM 731 O VAL A 49 8.085 5.930 -3.673 1.00 0.00 O ATOM 732 CB VAL A 49 8.536 8.543 -2.074 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.364 9.376 -2.570 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.270 9.257 -0.949 1.00 0.00 C ATOM 0 H VAL A 49 10.037 6.474 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 49 7.322 7.280 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 49 9.231 8.408 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.723 10.353 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.886 8.869 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.642 9.504 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.603 10.236 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.600 9.381 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.134 8.666 -0.646 1.00 0.00 H new ATOM 744 N PHE A 50 6.073 6.394 -2.779 1.00 0.00 N ATOM 745 CA PHE A 50 5.326 5.736 -3.845 1.00 0.00 C ATOM 746 C PHE A 50 4.320 6.694 -4.475 1.00 0.00 C ATOM 747 O PHE A 50 3.600 7.407 -3.775 1.00 0.00 O ATOM 748 CB PHE A 50 4.602 4.503 -3.301 1.00 0.00 C ATOM 749 CG PHE A 50 5.477 3.613 -2.466 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.597 3.008 -3.013 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.179 3.381 -1.132 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.405 2.189 -2.247 1.00 0.00 C ATOM 753 CE2 PHE A 50 5.984 2.563 -0.361 1.00 0.00 C ATOM 754 CZ PHE A 50 7.097 1.966 -0.919 1.00 0.00 C ATOM 0 H PHE A 50 5.492 6.808 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 50 6.034 5.424 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.750 4.826 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.204 3.927 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.842 3.179 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.309 3.844 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.276 1.724 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.742 2.391 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.726 1.326 -0.318 1.00 0.00 H new ATOM 764 N THR A 51 4.275 6.706 -5.804 1.00 0.00 N ATOM 765 CA THR A 51 3.360 7.576 -6.530 1.00 0.00 C ATOM 766 C THR A 51 2.313 6.766 -7.285 1.00 0.00 C ATOM 767 O THR A 51 2.589 6.215 -8.352 1.00 0.00 O ATOM 768 CB THR A 51 4.113 8.477 -7.528 1.00 0.00 C ATOM 769 OG1 THR A 51 5.250 9.070 -6.891 1.00 0.00 O ATOM 770 CG2 THR A 51 3.201 9.568 -8.068 1.00 0.00 C ATOM 0 H THR A 51 4.863 6.122 -6.399 1.00 0.00 H new ATOM 0 HA THR A 51 2.865 8.203 -5.788 1.00 0.00 H new ATOM 0 HB THR A 51 4.446 7.859 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.724 9.640 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.755 10.191 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.352 9.113 -8.578 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.841 10.183 -7.243 1.00 0.00 H new ATOM 778 N LEU A 52 1.109 6.696 -6.727 1.00 0.00 N ATOM 779 CA LEU A 52 0.019 5.953 -7.349 1.00 0.00 C ATOM 780 C LEU A 52 -1.300 6.707 -7.215 1.00 0.00 C ATOM 781 O LEU A 52 -1.516 7.466 -6.271 1.00 0.00 O ATOM 782 CB LEU A 52 -0.106 4.567 -6.714 1.00 0.00 C ATOM 783 CG LEU A 52 0.325 4.457 -5.251 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.816 4.727 -5.113 1.00 0.00 C ATOM 785 CD2 LEU A 52 -0.476 5.418 -4.385 1.00 0.00 C ATOM 0 H LEU A 52 0.863 7.145 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 52 0.246 5.842 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.145 4.247 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.488 3.866 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 52 0.127 3.441 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.105 4.645 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.374 3.999 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.039 5.731 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.156 5.326 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.310 6.440 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.537 5.178 -4.460 1.00 0.00 H new ATOM 797 N PRO A 53 -2.205 6.492 -8.181 1.00 0.00 N ATOM 798 CA PRO A 53 -3.520 7.140 -8.192 1.00 0.00 C ATOM 799 C PRO A 53 -4.432 6.620 -7.087 1.00 0.00 C ATOM 800 O PRO A 53 -4.111 5.641 -6.412 1.00 0.00 O ATOM 801 CB PRO A 53 -4.084 6.774 -9.568 1.00 0.00 C ATOM 802 CG PRO A 53 -3.391 5.509 -9.937 1.00 0.00 C ATOM 803 CD PRO A 53 -2.015 5.600 -9.337 1.00 0.00 C ATOM 0 HA PRO A 53 -3.447 8.213 -8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.165 6.637 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.889 7.560 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.928 4.643 -9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.338 5.395 -11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.644 4.621 -9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.294 6.008 -10.045 1.00 0.00 H new ATOM 811 N LEU A 54 -5.571 7.279 -6.907 1.00 0.00 N ATOM 812 CA LEU A 54 -6.531 6.882 -5.882 1.00 0.00 C ATOM 813 C LEU A 54 -7.668 6.065 -6.489 1.00 0.00 C ATOM 814 O LEU A 54 -8.721 6.603 -6.831 1.00 0.00 O ATOM 815 CB LEU A 54 -7.096 8.117 -5.178 1.00 0.00 C ATOM 816 CG LEU A 54 -6.129 8.867 -4.260 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.387 7.893 -3.358 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.147 9.692 -5.080 1.00 0.00 C ATOM 0 H LEU A 54 -5.853 8.090 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.010 6.262 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.456 8.811 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.961 7.811 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.706 9.545 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.704 8.444 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.104 7.346 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.821 7.190 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.467 10.219 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.575 9.033 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.695 10.416 -5.684 1.00 0.00 H new ATOM 830 N THR A 55 -7.448 4.760 -6.617 1.00 0.00 N ATOM 831 CA THR A 55 -8.454 3.868 -7.180 1.00 0.00 C ATOM 832 C THR A 55 -8.721 2.686 -6.255 1.00 0.00 C ATOM 833 O THR A 55 -9.869 2.285 -6.060 1.00 0.00 O ATOM 834 CB THR A 55 -8.023 3.337 -8.560 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.603 3.159 -8.596 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.447 4.293 -9.665 1.00 0.00 C ATOM 0 H THR A 55 -6.582 4.298 -6.338 1.00 0.00 H new ATOM 0 HA THR A 55 -9.368 4.452 -7.291 1.00 0.00 H new ATOM 0 HB THR A 55 -8.513 2.377 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.338 2.820 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.132 3.896 -10.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.531 4.403 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.982 5.266 -9.503 1.00 0.00 H new ATOM 844 N ASP A 56 -7.656 2.134 -5.686 1.00 0.00 N ATOM 845 CA ASP A 56 -7.776 0.999 -4.778 1.00 0.00 C ATOM 846 C ASP A 56 -7.676 1.452 -3.325 1.00 0.00 C ATOM 847 O ASP A 56 -7.626 2.648 -3.041 1.00 0.00 O ATOM 848 CB ASP A 56 -6.692 -0.038 -5.078 1.00 0.00 C ATOM 849 CG ASP A 56 -6.892 -0.713 -6.421 1.00 0.00 C ATOM 850 OD1 ASP A 56 -6.939 0.003 -7.443 1.00 0.00 O ATOM 851 OD2 ASP A 56 -7.002 -1.957 -6.450 1.00 0.00 O ATOM 0 H ASP A 56 -6.699 2.454 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.755 0.545 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.715 0.446 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.688 -0.793 -4.292 1.00 0.00 H new ATOM 856 N GLN A 57 -7.648 0.488 -2.410 1.00 0.00 N ATOM 857 CA GLN A 57 -7.555 0.788 -0.987 1.00 0.00 C ATOM 858 C GLN A 57 -6.105 0.755 -0.516 1.00 0.00 C ATOM 859 O GLN A 57 -5.200 0.425 -1.283 1.00 0.00 O ATOM 860 CB GLN A 57 -8.390 -0.207 -0.178 1.00 0.00 C ATOM 861 CG GLN A 57 -9.840 -0.291 -0.627 1.00 0.00 C ATOM 862 CD GLN A 57 -10.458 -1.647 -0.352 1.00 0.00 C ATOM 863 OE1 GLN A 57 -11.418 -1.762 0.410 1.00 0.00 O ATOM 864 NE2 GLN A 57 -9.910 -2.685 -0.975 1.00 0.00 N ATOM 0 H GLN A 57 -7.688 -0.507 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.946 1.793 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.937 -1.195 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.360 0.077 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.420 0.478 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.899 -0.079 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.115 -2.544 -1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.284 -3.623 -0.830 1.00 0.00 H new ATOM 873 N VAL A 58 -5.891 1.098 0.750 1.00 0.00 N ATOM 874 CA VAL A 58 -4.550 1.106 1.324 1.00 0.00 C ATOM 875 C VAL A 58 -3.844 -0.224 1.090 1.00 0.00 C ATOM 876 O VAL A 58 -2.620 -0.314 1.182 1.00 0.00 O ATOM 877 CB VAL A 58 -4.589 1.396 2.836 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.181 1.420 3.411 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.308 2.709 3.109 1.00 0.00 C ATOM 0 H VAL A 58 -6.629 1.374 1.398 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.996 1.900 0.824 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.143 0.596 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.228 1.626 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.705 0.453 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.599 2.198 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.326 2.898 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.784 3.522 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.330 2.649 2.734 1.00 0.00 H new ATOM 889 N SER A 59 -4.625 -1.257 0.787 1.00 0.00 N ATOM 890 CA SER A 59 -4.075 -2.585 0.543 1.00 0.00 C ATOM 891 C SER A 59 -3.035 -2.546 -0.573 1.00 0.00 C ATOM 892 O SER A 59 -2.168 -3.416 -0.660 1.00 0.00 O ATOM 893 CB SER A 59 -5.193 -3.564 0.180 1.00 0.00 C ATOM 894 OG SER A 59 -5.908 -3.122 -0.961 1.00 0.00 O ATOM 0 H SER A 59 -5.640 -1.199 0.705 1.00 0.00 H new ATOM 0 HA SER A 59 -3.588 -2.923 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.769 -4.550 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.876 -3.669 1.023 1.00 0.00 H new ATOM 0 HG SER A 59 -6.616 -3.766 -1.173 1.00 0.00 H new ATOM 900 N VAL A 60 -3.129 -1.530 -1.425 1.00 0.00 N ATOM 901 CA VAL A 60 -2.197 -1.375 -2.535 1.00 0.00 C ATOM 902 C VAL A 60 -0.909 -0.697 -2.082 1.00 0.00 C ATOM 903 O VAL A 60 0.117 -0.774 -2.758 1.00 0.00 O ATOM 904 CB VAL A 60 -2.820 -0.556 -3.681 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.920 -1.350 -4.369 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.354 0.769 -3.158 1.00 0.00 C ATOM 0 H VAL A 60 -3.841 -0.802 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.968 -2.377 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.044 -0.344 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.348 -0.755 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.503 -2.270 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.698 -1.595 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.791 1.335 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.116 0.581 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.538 1.341 -2.716 1.00 0.00 H new ATOM 916 N ILE A 61 -0.970 -0.033 -0.932 1.00 0.00 N ATOM 917 CA ILE A 61 0.192 0.658 -0.387 1.00 0.00 C ATOM 918 C ILE A 61 1.149 -0.321 0.284 1.00 0.00 C ATOM 919 O ILE A 61 2.368 -0.178 0.191 1.00 0.00 O ATOM 920 CB ILE A 61 -0.221 1.736 0.633 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.146 2.763 -0.024 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.010 2.417 1.211 1.00 0.00 C ATOM 923 CD1 ILE A 61 -1.699 3.785 0.944 1.00 0.00 C ATOM 0 H ILE A 61 -1.811 0.041 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 61 0.696 1.138 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.763 1.256 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.599 3.280 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.975 2.240 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.702 3.176 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.635 1.676 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.577 2.887 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.346 4.480 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.274 3.278 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.877 4.334 1.403 1.00 0.00 H new ATOM 935 N LYS A 62 0.588 -1.318 0.960 1.00 0.00 N ATOM 936 CA LYS A 62 1.390 -2.324 1.646 1.00 0.00 C ATOM 937 C LYS A 62 2.092 -3.235 0.644 1.00 0.00 C ATOM 938 O LYS A 62 3.299 -3.459 0.733 1.00 0.00 O ATOM 939 CB LYS A 62 0.510 -3.158 2.579 1.00 0.00 C ATOM 940 CG LYS A 62 -0.248 -2.330 3.602 1.00 0.00 C ATOM 941 CD LYS A 62 -1.395 -3.115 4.216 1.00 0.00 C ATOM 942 CE LYS A 62 -1.937 -2.428 5.461 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.910 -3.288 6.189 1.00 0.00 N ATOM 0 H LYS A 62 -0.420 -1.451 1.047 1.00 0.00 H new ATOM 0 HA LYS A 62 2.148 -1.808 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.204 -3.724 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.134 -3.883 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.435 -2.007 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.636 -1.429 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.194 -3.226 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.055 -4.118 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.110 -2.173 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.419 -1.492 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.826 -3.118 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.876 -3.060 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.709 -4.288 5.987 1.00 0.00 H new ATOM 957 N VAL A 63 1.329 -3.757 -0.311 1.00 0.00 N ATOM 958 CA VAL A 63 1.878 -4.642 -1.331 1.00 0.00 C ATOM 959 C VAL A 63 3.160 -4.067 -1.925 1.00 0.00 C ATOM 960 O VAL A 63 4.037 -4.806 -2.371 1.00 0.00 O ATOM 961 CB VAL A 63 0.866 -4.888 -2.466 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.832 -3.702 -3.418 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.202 -6.171 -3.211 1.00 0.00 C ATOM 0 H VAL A 63 0.328 -3.582 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 63 2.100 -5.590 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.125 -4.999 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.112 -3.894 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.539 -2.805 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.821 -3.556 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.477 -6.329 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.201 -6.092 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.169 -7.013 -2.519 1.00 0.00 H new ATOM 973 N LYS A 64 3.262 -2.742 -1.926 1.00 0.00 N ATOM 974 CA LYS A 64 4.437 -2.066 -2.462 1.00 0.00 C ATOM 975 C LYS A 64 5.645 -2.270 -1.554 1.00 0.00 C ATOM 976 O LYS A 64 6.765 -2.460 -2.028 1.00 0.00 O ATOM 977 CB LYS A 64 4.158 -0.570 -2.629 1.00 0.00 C ATOM 978 CG LYS A 64 3.060 -0.264 -3.632 1.00 0.00 C ATOM 979 CD LYS A 64 3.606 -0.178 -5.048 1.00 0.00 C ATOM 980 CE LYS A 64 4.197 1.194 -5.334 1.00 0.00 C ATOM 981 NZ LYS A 64 4.411 1.412 -6.792 1.00 0.00 N ATOM 0 H LYS A 64 2.545 -2.115 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 64 4.661 -2.499 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.882 -0.150 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.075 -0.071 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.295 -1.039 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.578 0.678 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.370 -0.942 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.808 -0.388 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.531 1.965 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.146 1.298 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.815 2.358 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.066 0.692 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.502 1.338 -7.291 1.00 0.00 H new ATOM 995 N ILE A 65 5.409 -2.232 -0.247 1.00 0.00 N ATOM 996 CA ILE A 65 6.478 -2.416 0.727 1.00 0.00 C ATOM 997 C ILE A 65 7.154 -3.771 0.552 1.00 0.00 C ATOM 998 O ILE A 65 8.344 -3.849 0.246 1.00 0.00 O ATOM 999 CB ILE A 65 5.951 -2.300 2.170 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.348 -0.914 2.406 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.069 -2.573 3.166 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.589 -0.799 3.709 1.00 0.00 C ATOM 0 H ILE A 65 4.488 -2.076 0.162 1.00 0.00 H new ATOM 0 HA ILE A 65 7.206 -1.624 0.550 1.00 0.00 H new ATOM 0 HB ILE A 65 5.170 -3.046 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.147 -0.172 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.677 -0.674 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.681 -2.487 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.458 -3.579 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.870 -1.848 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.189 0.210 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.769 -1.517 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.261 -1.008 4.541 1.00 0.00 H new ATOM 1014 N HIS A 66 6.386 -4.839 0.747 1.00 0.00 N ATOM 1015 CA HIS A 66 6.910 -6.193 0.608 1.00 0.00 C ATOM 1016 C HIS A 66 7.690 -6.343 -0.694 1.00 0.00 C ATOM 1017 O HIS A 66 8.611 -7.154 -0.787 1.00 0.00 O ATOM 1018 CB HIS A 66 5.770 -7.211 0.654 1.00 0.00 C ATOM 1019 CG HIS A 66 6.238 -8.634 0.657 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.711 -9.409 1.661 1.00 0.00 N flip ATOM 1021 CD2 HIS A 66 6.253 -9.423 -0.474 1.00 0.00 C flip ATOM 1022 CE1 HIS A 66 6.998 -10.640 1.125 1.00 0.00 C flip ATOM 1023 NE2 HIS A 66 6.713 -10.622 -0.165 1.00 0.00 N flip ATOM 0 H HIS A 66 5.399 -4.793 1.002 1.00 0.00 H new ATOM 0 HA HIS A 66 7.588 -6.381 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.170 -7.032 1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.118 -7.053 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.938 -9.110 -1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.392 -11.485 1.669 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.829 -11.402 -0.812 1.00 0.00 H new ATOM 1032 N GLU A 67 7.313 -5.557 -1.698 1.00 0.00 N ATOM 1033 CA GLU A 67 7.977 -5.605 -2.996 1.00 0.00 C ATOM 1034 C GLU A 67 9.451 -5.229 -2.867 1.00 0.00 C ATOM 1035 O GLU A 67 10.333 -5.996 -3.252 1.00 0.00 O ATOM 1036 CB GLU A 67 7.284 -4.663 -3.983 1.00 0.00 C ATOM 1037 CG GLU A 67 7.278 -5.177 -5.412 1.00 0.00 C ATOM 1038 CD GLU A 67 8.615 -5.757 -5.829 1.00 0.00 C ATOM 1039 OE1 GLU A 67 8.848 -6.957 -5.572 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.429 -5.011 -6.413 1.00 0.00 O ATOM 0 H GLU A 67 6.552 -4.880 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 67 7.911 -6.626 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.256 -4.503 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.781 -3.693 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.507 -5.940 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.014 -4.362 -6.086 1.00 0.00 H new ATOM 1047 N ALA A 68 9.708 -4.044 -2.324 1.00 0.00 N ATOM 1048 CA ALA A 68 11.073 -3.567 -2.143 1.00 0.00 C ATOM 1049 C ALA A 68 11.743 -4.255 -0.958 1.00 0.00 C ATOM 1050 O ALA A 68 12.765 -4.925 -1.112 1.00 0.00 O ATOM 1051 CB ALA A 68 11.084 -2.057 -1.955 1.00 0.00 C ATOM 0 H ALA A 68 8.989 -3.397 -2.002 1.00 0.00 H new ATOM 0 HA ALA A 68 11.640 -3.814 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.110 -1.715 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.653 -1.578 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.496 -1.796 -1.075 1.00 0.00 H new ATOM 1057 N THR A 69 11.161 -4.085 0.225 1.00 0.00 N ATOM 1058 CA THR A 69 11.703 -4.688 1.436 1.00 0.00 C ATOM 1059 C THR A 69 11.115 -6.075 1.670 1.00 0.00 C ATOM 1060 O THR A 69 10.019 -6.382 1.204 1.00 0.00 O ATOM 1061 CB THR A 69 11.426 -3.811 2.672 1.00 0.00 C ATOM 1062 OG1 THR A 69 10.017 -3.746 2.921 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.976 -2.407 2.474 1.00 0.00 C ATOM 0 H THR A 69 10.314 -3.535 0.370 1.00 0.00 H new ATOM 0 HA THR A 69 12.780 -4.772 1.293 1.00 0.00 H new ATOM 0 HB THR A 69 11.926 -4.262 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.529 -3.938 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.768 -1.807 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.053 -2.457 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.501 -1.949 1.606 1.00 0.00 H new ATOM 1071 N GLY A 70 11.853 -6.910 2.396 1.00 0.00 N ATOM 1072 CA GLY A 70 11.388 -8.256 2.679 1.00 0.00 C ATOM 1073 C GLY A 70 10.421 -8.301 3.845 1.00 0.00 C ATOM 1074 O GLY A 70 10.403 -9.268 4.607 1.00 0.00 O ATOM 0 H GLY A 70 12.764 -6.679 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.903 -8.664 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.244 -8.895 2.896 1.00 0.00 H new ATOM 1078 N MET A 71 9.616 -7.253 3.986 1.00 0.00 N ATOM 1079 CA MET A 71 8.643 -7.178 5.070 1.00 0.00 C ATOM 1080 C MET A 71 7.248 -7.546 4.573 1.00 0.00 C ATOM 1081 O MET A 71 6.788 -7.073 3.534 1.00 0.00 O ATOM 1082 CB MET A 71 8.628 -5.773 5.674 1.00 0.00 C ATOM 1083 CG MET A 71 8.051 -5.722 7.079 1.00 0.00 C ATOM 1084 SD MET A 71 8.312 -4.127 7.880 1.00 0.00 S ATOM 1085 CE MET A 71 7.991 -4.551 9.590 1.00 0.00 C ATOM 0 H MET A 71 9.618 -6.445 3.364 1.00 0.00 H new ATOM 0 HA MET A 71 8.936 -7.893 5.839 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.646 -5.384 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.048 -5.115 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.982 -5.932 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.506 -6.507 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.370 -3.780 10.046 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.473 -5.509 9.636 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.935 -4.623 10.130 1.00 0.00 H new ATOM 1095 N PRO A 72 6.557 -8.410 5.333 1.00 0.00 N ATOM 1096 CA PRO A 72 5.205 -8.859 4.989 1.00 0.00 C ATOM 1097 C PRO A 72 4.170 -7.750 5.138 1.00 0.00 C ATOM 1098 O PRO A 72 4.379 -6.788 5.876 1.00 0.00 O ATOM 1099 CB PRO A 72 4.937 -9.979 5.998 1.00 0.00 C ATOM 1100 CG PRO A 72 5.814 -9.661 7.159 1.00 0.00 C ATOM 1101 CD PRO A 72 7.043 -9.013 6.585 1.00 0.00 C ATOM 0 HA PRO A 72 5.133 -9.176 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.887 -10.005 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.176 -10.956 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.310 -8.992 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.071 -10.564 7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.454 -8.262 7.260 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.832 -9.742 6.400 1.00 0.00 H new ATOM 1109 N ALA A 73 3.053 -7.890 4.431 1.00 0.00 N ATOM 1110 CA ALA A 73 1.984 -6.901 4.487 1.00 0.00 C ATOM 1111 C ALA A 73 1.026 -7.191 5.637 1.00 0.00 C ATOM 1112 O ALA A 73 -0.190 -7.083 5.487 1.00 0.00 O ATOM 1113 CB ALA A 73 1.230 -6.863 3.166 1.00 0.00 C ATOM 0 H ALA A 73 2.865 -8.679 3.813 1.00 0.00 H new ATOM 0 HA ALA A 73 2.436 -5.925 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.435 -6.120 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.917 -6.599 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.797 -7.843 2.966 1.00 0.00 H new ATOM 1119 N GLY A 74 1.583 -7.562 6.786 1.00 0.00 N ATOM 1120 CA GLY A 74 0.763 -7.863 7.945 1.00 0.00 C ATOM 1121 C GLY A 74 1.373 -7.354 9.235 1.00 0.00 C ATOM 1122 O GLY A 74 0.762 -6.559 9.949 1.00 0.00 O ATOM 0 H GLY A 74 2.587 -7.659 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.224 -7.419 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.620 -8.941 8.015 1.00 0.00 H new ATOM 1126 N LYS A 75 2.583 -7.814 9.538 1.00 0.00 N ATOM 1127 CA LYS A 75 3.277 -7.402 10.752 1.00 0.00 C ATOM 1128 C LYS A 75 3.410 -5.883 10.813 1.00 0.00 C ATOM 1129 O LYS A 75 3.201 -5.275 11.863 1.00 0.00 O ATOM 1130 CB LYS A 75 4.663 -8.048 10.816 1.00 0.00 C ATOM 1131 CG LYS A 75 4.661 -9.427 11.454 1.00 0.00 C ATOM 1132 CD LYS A 75 6.041 -9.806 11.965 1.00 0.00 C ATOM 1133 CE LYS A 75 5.971 -10.954 12.960 1.00 0.00 C ATOM 1134 NZ LYS A 75 7.308 -11.272 13.535 1.00 0.00 N ATOM 0 H LYS A 75 3.103 -8.473 8.959 1.00 0.00 H new ATOM 0 HA LYS A 75 2.688 -7.733 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.066 -8.124 9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.333 -7.397 11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.948 -9.447 12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.326 -10.166 10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.676 -10.089 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.505 -8.941 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.282 -10.696 13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.568 -11.838 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.218 -12.060 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.959 -11.543 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.682 -10.436 14.028 1.00 0.00 H new ATOM 1148 N GLN A 76 3.757 -5.278 9.682 1.00 0.00 N ATOM 1149 CA GLN A 76 3.916 -3.830 9.608 1.00 0.00 C ATOM 1150 C GLN A 76 2.561 -3.131 9.651 1.00 0.00 C ATOM 1151 O GLN A 76 1.584 -3.610 9.076 1.00 0.00 O ATOM 1152 CB GLN A 76 4.664 -3.443 8.331 1.00 0.00 C ATOM 1153 CG GLN A 76 3.913 -3.794 7.057 1.00 0.00 C ATOM 1154 CD GLN A 76 4.821 -3.862 5.845 1.00 0.00 C ATOM 1155 OE1 GLN A 76 6.044 -3.777 5.965 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.227 -4.015 4.667 1.00 0.00 N ATOM 0 H GLN A 76 3.933 -5.767 8.805 1.00 0.00 H new ATOM 0 HA GLN A 76 4.497 -3.508 10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.859 -2.371 8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.633 -3.943 8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.414 -4.754 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.135 -3.051 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.211 -4.081 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.787 -4.066 3.816 1.00 0.00 H new ATOM 1165 N LYS A 77 2.510 -1.994 10.337 1.00 0.00 N ATOM 1166 CA LYS A 77 1.276 -1.227 10.455 1.00 0.00 C ATOM 1167 C LYS A 77 1.472 0.200 9.951 1.00 0.00 C ATOM 1168 O LYS A 77 2.297 0.947 10.478 1.00 0.00 O ATOM 1169 CB LYS A 77 0.802 -1.204 11.910 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.701 -1.041 12.058 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.208 -1.683 13.338 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.742 -0.918 14.568 1.00 0.00 C ATOM 1173 NZ LYS A 77 -1.564 -1.240 15.766 1.00 0.00 N ATOM 0 H LYS A 77 3.309 -1.584 10.820 1.00 0.00 H new ATOM 0 HA LYS A 77 0.517 -1.711 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.108 -2.129 12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.301 -0.388 12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.955 0.019 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.203 -1.490 11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.297 -1.719 13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.856 -2.713 13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.302 -1.156 14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.792 0.153 14.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.215 -0.699 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.557 -0.989 15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.496 -2.257 15.970 1.00 0.00 H new ATOM 1187 N LEU A 78 0.708 0.572 8.930 1.00 0.00 N ATOM 1188 CA LEU A 78 0.796 1.910 8.356 1.00 0.00 C ATOM 1189 C LEU A 78 -0.046 2.901 9.153 1.00 0.00 C ATOM 1190 O LEU A 78 -1.205 2.633 9.467 1.00 0.00 O ATOM 1191 CB LEU A 78 0.338 1.892 6.897 1.00 0.00 C ATOM 1192 CG LEU A 78 0.991 0.838 6.001 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.324 0.811 4.635 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.482 1.106 5.863 1.00 0.00 C ATOM 0 H LEU A 78 0.021 -0.034 8.483 1.00 0.00 H new ATOM 0 HA LEU A 78 1.837 2.229 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.741 1.738 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.528 2.875 6.465 1.00 0.00 H new ATOM 0 HG LEU A 78 0.859 -0.139 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.802 0.055 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.733 0.571 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.424 1.788 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.930 0.347 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.635 2.090 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.950 1.073 6.847 1.00 0.00 H new ATOM 1206 N GLN A 79 0.545 4.048 9.474 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.151 5.079 10.233 1.00 0.00 C ATOM 1208 C GLN A 79 -0.159 6.402 9.474 1.00 0.00 C ATOM 1209 O GLN A 79 0.830 6.771 8.840 1.00 0.00 O ATOM 1210 CB GLN A 79 0.506 5.267 11.601 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.392 5.953 12.618 1.00 0.00 C ATOM 1212 CD GLN A 79 0.392 6.712 13.671 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.021 7.729 13.380 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.358 6.219 14.904 1.00 0.00 N ATOM 0 H GLN A 79 1.504 4.286 9.220 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.182 4.756 10.375 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.803 4.293 11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.417 5.853 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.060 6.642 12.101 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.019 5.206 13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.177 5.373 15.100 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.867 6.687 15.654 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.281 7.110 9.541 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.418 8.391 8.858 1.00 0.00 C ATOM 1225 C TYR A 80 -2.230 9.373 9.698 1.00 0.00 C ATOM 1226 O TYR A 80 -3.358 9.082 10.093 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.085 8.196 7.495 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.620 9.477 6.894 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.760 10.428 6.360 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.985 9.735 6.861 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.244 11.600 5.810 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.478 10.903 6.313 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.603 11.833 5.789 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.090 12.998 5.242 1.00 0.00 O ATOM 0 H TYR A 80 -2.109 6.819 10.061 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.420 8.805 8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.364 7.755 6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.903 7.484 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.695 10.249 6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.672 9.010 7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.562 12.329 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.542 11.088 6.295 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.068 13.005 5.305 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.645 10.536 9.965 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.313 11.561 10.758 1.00 0.00 C ATOM 1246 C GLU A 81 -2.903 10.965 12.033 1.00 0.00 C ATOM 1247 O GLU A 81 -4.058 11.217 12.373 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.417 12.234 9.939 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.894 13.212 8.901 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.863 14.169 9.468 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -2.263 15.146 10.135 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -0.656 13.940 9.245 1.00 0.00 O ATOM 0 H GLU A 81 -0.711 10.792 9.644 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.570 12.309 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.006 11.466 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.090 12.761 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.452 12.656 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.728 13.783 8.492 1.00 0.00 H new ATOM 1259 N GLY A 82 -2.100 10.171 12.735 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.559 9.550 13.963 1.00 0.00 C ATOM 1261 C GLY A 82 -3.698 8.577 13.731 1.00 0.00 C ATOM 1262 O GLY A 82 -4.552 8.393 14.598 1.00 0.00 O ATOM 0 H GLY A 82 -1.140 9.947 12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.728 9.025 14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.883 10.324 14.659 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.712 7.955 12.557 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.756 6.997 12.213 1.00 0.00 C ATOM 1268 C ILE A 83 -4.158 5.647 11.831 1.00 0.00 C ATOM 1269 O ILE A 83 -3.148 5.579 11.130 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.628 7.507 11.051 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.245 8.862 11.405 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.714 6.495 10.720 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.984 9.508 10.254 1.00 0.00 C ATOM 0 H ILE A 83 -3.013 8.097 11.828 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.380 6.878 13.099 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.997 7.634 10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.933 8.732 12.241 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.456 9.534 11.743 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.322 6.870 9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.255 5.550 10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.345 6.339 11.595 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.395 10.465 10.577 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.295 9.670 9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.795 8.855 9.930 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.790 4.574 12.294 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.322 3.225 12.000 1.00 0.00 C ATOM 1287 C PHE A 84 -4.915 2.717 10.689 1.00 0.00 C ATOM 1288 O PHE A 84 -5.445 1.607 10.624 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.689 2.274 13.141 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.774 2.379 14.327 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.404 2.236 14.177 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.283 2.623 15.592 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.560 2.331 15.267 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.444 2.720 16.686 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.080 2.575 16.523 1.00 0.00 C ATOM 0 H PHE A 84 -5.628 4.613 12.874 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.237 3.258 11.899 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.710 2.480 13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.672 1.250 12.769 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.991 2.048 13.197 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.348 2.739 15.725 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.494 2.215 15.137 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.854 2.909 17.667 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.422 2.652 17.376 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.822 3.537 9.647 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.349 3.171 8.338 1.00 0.00 C ATOM 1307 C ILE A 85 -5.201 1.675 8.085 1.00 0.00 C ATOM 1308 O ILE A 85 -4.127 1.104 8.278 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.641 3.944 7.210 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.122 3.859 7.379 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.097 5.396 7.196 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.359 4.062 6.089 1.00 0.00 C ATOM 0 H ILE A 85 -4.387 4.459 9.684 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.407 3.434 8.339 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.908 3.490 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.802 4.609 8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.865 2.885 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.588 5.930 6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.174 5.438 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.856 5.862 8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.289 3.989 6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.650 3.297 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.587 5.047 5.683 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.285 1.044 7.648 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.277 -0.386 7.364 1.00 0.00 C ATOM 1326 C LYS A 86 -6.298 -0.642 5.860 1.00 0.00 C ATOM 1327 O LYS A 86 -6.499 0.278 5.067 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.479 -1.066 8.024 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.256 -1.407 9.487 1.00 0.00 C ATOM 1330 CD LYS A 86 -7.693 -0.272 10.398 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.148 -0.447 11.807 1.00 0.00 C ATOM 1332 NZ LYS A 86 -7.825 -1.559 12.530 1.00 0.00 N ATOM 0 H LYS A 86 -7.182 1.501 7.483 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.359 -0.807 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.347 -0.412 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.714 -1.980 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.810 -2.311 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.201 -1.623 9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.348 0.678 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.782 -0.229 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.077 -0.643 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.278 0.481 12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.425 -1.646 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.844 -1.360 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.680 -2.449 12.012 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.092 -1.897 5.475 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.090 -2.274 4.067 1.00 0.00 C ATOM 1348 C ASP A 87 -7.499 -2.215 3.486 1.00 0.00 C ATOM 1349 O ASP A 87 -7.686 -1.887 2.315 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.512 -3.679 3.894 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.796 -4.573 5.085 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -5.255 -4.297 6.176 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.560 -5.549 4.927 1.00 0.00 O ATOM 0 H ASP A 87 -5.924 -2.670 6.119 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.464 -1.563 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.930 -4.132 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.435 -3.610 3.744 1.00 0.00 H new ATOM 1358 N SER A 88 -8.489 -2.536 4.314 1.00 0.00 N ATOM 1359 CA SER A 88 -9.881 -2.525 3.882 1.00 0.00 C ATOM 1360 C SER A 88 -10.361 -1.098 3.634 1.00 0.00 C ATOM 1361 O SER A 88 -11.268 -0.867 2.835 1.00 0.00 O ATOM 1362 CB SER A 88 -10.768 -3.198 4.931 1.00 0.00 C ATOM 1363 OG SER A 88 -10.656 -4.609 4.864 1.00 0.00 O ATOM 0 H SER A 88 -8.352 -2.807 5.288 1.00 0.00 H new ATOM 0 HA SER A 88 -9.950 -3.081 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.485 -2.854 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.806 -2.905 4.776 1.00 0.00 H new ATOM 0 HG SER A 88 -11.231 -5.016 5.545 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.745 -0.144 4.325 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.109 1.261 4.181 1.00 0.00 C ATOM 1371 C ASN A 89 -9.540 1.840 2.889 1.00 0.00 C ATOM 1372 O ASN A 89 -8.392 1.577 2.531 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.603 2.066 5.380 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.501 1.920 6.593 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.163 2.872 7.007 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -10.527 0.725 7.170 1.00 0.00 N ATOM 0 H ASN A 89 -8.992 -0.318 4.990 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.196 1.327 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.595 1.738 5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.536 3.119 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.112 0.567 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.962 -0.036 6.793 1.00 0.00 H new ATOM 1383 N SER A 90 -10.352 2.630 2.194 1.00 0.00 N ATOM 1384 CA SER A 90 -9.931 3.245 0.940 1.00 0.00 C ATOM 1385 C SER A 90 -9.100 4.497 1.201 1.00 0.00 C ATOM 1386 O SER A 90 -9.239 5.144 2.240 1.00 0.00 O ATOM 1387 CB SER A 90 -11.151 3.597 0.086 1.00 0.00 C ATOM 1388 OG SER A 90 -11.916 2.442 -0.210 1.00 0.00 O ATOM 0 H SER A 90 -11.305 2.859 2.478 1.00 0.00 H new ATOM 0 HA SER A 90 -9.314 2.527 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.771 4.322 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.826 4.069 -0.841 1.00 0.00 H new ATOM 0 HG SER A 90 -12.691 2.694 -0.755 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.236 4.834 0.250 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.381 6.010 0.375 1.00 0.00 C ATOM 1396 C LEU A 91 -8.198 7.292 0.257 1.00 0.00 C ATOM 1397 O LEU A 91 -8.087 8.189 1.093 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.289 5.987 -0.696 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.212 4.914 -0.533 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.591 3.657 -1.301 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.862 5.439 -1.000 1.00 0.00 C ATOM 0 H LEU A 91 -8.109 4.310 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.915 5.987 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.764 5.852 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.803 6.962 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.135 4.660 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.813 2.904 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.536 3.270 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.696 3.895 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.107 4.662 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.925 5.721 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.586 6.311 -0.407 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.019 7.371 -0.784 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.858 8.542 -1.009 1.00 0.00 C ATOM 1415 C ALA A 92 -10.691 8.865 0.227 1.00 0.00 C ATOM 1416 O ALA A 92 -10.756 10.016 0.660 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.761 8.321 -2.213 1.00 0.00 C ATOM 0 H ALA A 92 -9.121 6.638 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.206 9.393 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.382 9.203 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.150 8.146 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.399 7.455 -2.035 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.328 7.844 0.789 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.159 8.021 1.974 1.00 0.00 C ATOM 1425 C TYR A 93 -11.492 8.961 2.973 1.00 0.00 C ATOM 1426 O TYR A 93 -12.087 9.947 3.408 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.437 6.670 2.634 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.185 6.778 3.944 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.514 7.060 5.128 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.561 6.597 3.998 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.193 7.159 6.327 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.248 6.696 5.192 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.560 6.977 6.354 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.241 7.075 7.546 1.00 0.00 O ATOM 0 H TYR A 93 -11.285 6.885 0.443 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.104 8.466 1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.013 6.051 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.490 6.158 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.444 7.204 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.103 6.375 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.656 7.378 7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.318 6.554 5.216 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.196 6.921 7.391 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.252 8.647 3.332 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.502 9.462 4.282 1.00 0.00 C ATOM 1446 C TYR A 94 -9.366 10.896 3.780 1.00 0.00 C ATOM 1447 O TYR A 94 -9.402 11.845 4.563 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.117 8.859 4.520 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.152 7.512 5.206 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.750 7.360 6.451 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.588 6.391 4.609 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.784 6.131 7.082 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -7.618 5.159 5.232 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.217 5.034 6.468 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.250 3.808 7.093 1.00 0.00 O ATOM 0 H TYR A 94 -9.745 7.835 2.980 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.051 9.477 5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.605 8.757 3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.528 9.550 5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.196 8.217 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.118 6.485 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.252 6.030 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.175 4.298 4.754 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.901 3.832 7.826 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.210 11.045 2.469 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.068 12.363 1.861 1.00 0.00 C ATOM 1467 C ASN A 95 -7.678 12.936 2.122 1.00 0.00 C ATOM 1468 O ASN A 95 -7.536 14.097 2.506 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.135 13.316 2.405 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.489 12.648 2.547 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.024 12.532 3.650 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.049 12.204 1.428 1.00 0.00 N ATOM 0 H ASN A 95 -9.179 10.270 1.807 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.201 12.255 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.817 13.697 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.225 14.175 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.959 11.745 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.569 12.322 0.536 1.00 0.00 H new ATOM 1479 N MET A 96 -6.656 12.114 1.911 1.00 0.00 N ATOM 1480 CA MET A 96 -5.277 12.539 2.121 1.00 0.00 C ATOM 1481 C MET A 96 -4.896 13.650 1.147 1.00 0.00 C ATOM 1482 O MET A 96 -5.644 13.958 0.220 1.00 0.00 O ATOM 1483 CB MET A 96 -4.325 11.353 1.958 1.00 0.00 C ATOM 1484 CG MET A 96 -4.596 10.217 2.931 1.00 0.00 C ATOM 1485 SD MET A 96 -3.370 8.900 2.820 1.00 0.00 S ATOM 1486 CE MET A 96 -4.339 7.490 3.350 1.00 0.00 C ATOM 0 H MET A 96 -6.756 11.150 1.595 1.00 0.00 H new ATOM 0 HA MET A 96 -5.193 12.926 3.137 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.402 10.974 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.300 11.699 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.610 10.610 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.586 9.804 2.735 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.717 6.595 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.705 7.660 4.362 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.185 7.356 2.676 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.729 14.247 1.365 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.249 15.322 0.506 1.00 0.00 C ATOM 1498 C ALA A 97 -1.912 14.960 -0.131 1.00 0.00 C ATOM 1499 O ALA A 97 -0.999 14.486 0.545 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.125 16.616 1.298 1.00 0.00 C ATOM 0 H ALA A 97 -3.099 14.004 2.129 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.976 15.466 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.765 17.410 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.100 16.891 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.421 16.475 2.118 1.00 0.00 H new ATOM 1506 N SER A 98 -1.804 15.185 -1.437 1.00 0.00 N ATOM 1507 CA SER A 98 -0.579 14.878 -2.166 1.00 0.00 C ATOM 1508 C SER A 98 0.650 15.172 -1.312 1.00 0.00 C ATOM 1509 O SER A 98 0.629 16.055 -0.456 1.00 0.00 O ATOM 1510 CB SER A 98 -0.518 15.686 -3.464 1.00 0.00 C ATOM 1511 OG SER A 98 -0.349 17.067 -3.198 1.00 0.00 O ATOM 0 H SER A 98 -2.550 15.578 -2.011 1.00 0.00 H new ATOM 0 HA SER A 98 -0.585 13.815 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.306 15.328 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.433 15.532 -4.035 1.00 0.00 H new ATOM 0 HG SER A 98 -0.311 17.561 -4.044 1.00 0.00 H new ATOM 1517 N GLY A 99 1.723 14.424 -1.553 1.00 0.00 N ATOM 1518 CA GLY A 99 2.947 14.618 -0.798 1.00 0.00 C ATOM 1519 C GLY A 99 2.796 14.236 0.661 1.00 0.00 C ATOM 1520 O GLY A 99 3.371 14.876 1.540 1.00 0.00 O ATOM 0 H GLY A 99 1.766 13.688 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.744 14.024 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.251 15.662 -0.867 1.00 0.00 H new ATOM 1524 N ALA A 100 2.019 13.189 0.919 1.00 0.00 N ATOM 1525 CA ALA A 100 1.794 12.722 2.282 1.00 0.00 C ATOM 1526 C ALA A 100 2.992 11.932 2.796 1.00 0.00 C ATOM 1527 O ALA A 100 3.950 11.689 2.061 1.00 0.00 O ATOM 1528 CB ALA A 100 0.532 11.875 2.348 1.00 0.00 C ATOM 0 H ALA A 100 1.535 12.648 0.202 1.00 0.00 H new ATOM 0 HA ALA A 100 1.666 13.595 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.376 11.533 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.323 12.471 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.638 11.013 1.690 1.00 0.00 H new ATOM 1534 N VAL A 101 2.933 11.533 4.062 1.00 0.00 N ATOM 1535 CA VAL A 101 4.013 10.769 4.675 1.00 0.00 C ATOM 1536 C VAL A 101 3.467 9.712 5.628 1.00 0.00 C ATOM 1537 O VAL A 101 2.979 10.032 6.712 1.00 0.00 O ATOM 1538 CB VAL A 101 4.983 11.686 5.443 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.229 12.526 6.463 1.00 0.00 C ATOM 1540 CG2 VAL A 101 6.071 10.864 6.118 1.00 0.00 C ATOM 0 H VAL A 101 2.148 11.726 4.684 1.00 0.00 H new ATOM 0 HA VAL A 101 4.553 10.279 3.865 1.00 0.00 H new ATOM 0 HB VAL A 101 5.458 12.361 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.931 13.168 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.490 13.143 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.725 11.870 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.748 11.528 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.616 10.164 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.630 10.311 5.363 1.00 0.00 H new ATOM 1550 N ILE A 102 3.554 8.451 5.217 1.00 0.00 N ATOM 1551 CA ILE A 102 3.070 7.347 6.035 1.00 0.00 C ATOM 1552 C ILE A 102 4.170 6.815 6.948 1.00 0.00 C ATOM 1553 O ILE A 102 5.229 6.394 6.482 1.00 0.00 O ATOM 1554 CB ILE A 102 2.538 6.192 5.165 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.400 6.683 4.268 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.069 5.041 6.042 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.231 7.258 5.035 1.00 0.00 C ATOM 0 H ILE A 102 3.955 8.169 4.323 1.00 0.00 H new ATOM 0 HA ILE A 102 2.254 7.739 6.643 1.00 0.00 H new ATOM 0 HB ILE A 102 3.347 5.833 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.786 7.442 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.049 5.854 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.696 4.233 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.903 4.678 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.271 5.386 6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.538 7.586 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.181 6.495 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.568 8.108 5.628 1.00 0.00 H new ATOM 1569 N HIS A 103 3.911 6.837 8.252 1.00 0.00 N ATOM 1570 CA HIS A 103 4.879 6.355 9.231 1.00 0.00 C ATOM 1571 C HIS A 103 4.776 4.842 9.397 1.00 0.00 C ATOM 1572 O HIS A 103 3.692 4.305 9.629 1.00 0.00 O ATOM 1573 CB HIS A 103 4.659 7.044 10.578 1.00 0.00 C ATOM 1574 CG HIS A 103 5.014 8.499 10.572 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.297 8.962 10.778 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.246 9.597 10.382 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.302 10.281 10.716 1.00 0.00 C ATOM 1578 NE2 HIS A 103 5.069 10.692 10.476 1.00 0.00 N ATOM 0 H HIS A 103 3.040 7.183 8.655 1.00 0.00 H new ATOM 0 HA HIS A 103 5.878 6.596 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.613 6.935 10.866 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.254 6.537 11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.183 9.610 10.192 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.167 10.916 10.840 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.777 11.664 10.377 1.00 0.00 H new ATOM 1587 N LEU A 104 5.910 4.161 9.276 1.00 0.00 N ATOM 1588 CA LEU A 104 5.948 2.709 9.413 1.00 0.00 C ATOM 1589 C LEU A 104 6.230 2.304 10.856 1.00 0.00 C ATOM 1590 O LEU A 104 7.052 2.921 11.534 1.00 0.00 O ATOM 1591 CB LEU A 104 7.013 2.118 8.487 1.00 0.00 C ATOM 1592 CG LEU A 104 6.882 0.625 8.180 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.597 0.348 7.416 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.089 0.135 7.393 1.00 0.00 C ATOM 0 H LEU A 104 6.815 4.590 9.083 1.00 0.00 H new ATOM 0 HA LEU A 104 4.971 2.317 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.991 2.666 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.992 2.292 8.934 1.00 0.00 H new ATOM 0 HG LEU A 104 6.843 0.081 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.521 -0.719 7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.742 0.662 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.605 0.902 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.979 -0.929 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.159 0.685 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.995 0.298 7.977 1.00 0.00 H new ATOM 1606 N ALA A 105 5.546 1.263 11.318 1.00 0.00 N ATOM 1607 CA ALA A 105 5.727 0.773 12.679 1.00 0.00 C ATOM 1608 C ALA A 105 5.335 -0.696 12.790 1.00 0.00 C ATOM 1609 O ALA A 105 4.311 -1.119 12.252 1.00 0.00 O ATOM 1610 CB ALA A 105 4.915 1.613 13.654 1.00 0.00 C ATOM 0 H ALA A 105 4.861 0.742 10.770 1.00 0.00 H new ATOM 0 HA ALA A 105 6.783 0.860 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.059 1.236 14.667 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.245 2.651 13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.858 1.555 13.392 1.00 0.00 H new ATOM 1616 N LEU A 106 6.155 -1.471 13.491 1.00 0.00 N ATOM 1617 CA LEU A 106 5.894 -2.895 13.673 1.00 0.00 C ATOM 1618 C LEU A 106 4.722 -3.117 14.623 1.00 0.00 C ATOM 1619 O LEU A 106 4.633 -2.483 15.676 1.00 0.00 O ATOM 1620 CB LEU A 106 7.142 -3.597 14.211 1.00 0.00 C ATOM 1621 CG LEU A 106 7.338 -5.048 13.770 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.620 -5.616 14.358 1.00 0.00 C ATOM 1623 CD2 LEU A 106 6.141 -5.895 14.178 1.00 0.00 C ATOM 0 H LEU A 106 7.006 -1.137 13.943 1.00 0.00 H new ATOM 0 HA LEU A 106 5.636 -3.319 12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.017 -3.024 13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.108 -3.571 15.300 1.00 0.00 H new ATOM 0 HG LEU A 106 7.420 -5.070 12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.743 -6.649 14.033 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.470 -5.025 14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.568 -5.581 15.446 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.297 -6.925 13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.028 -5.867 15.262 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.240 -5.501 13.709 1.00 0.00 H new ATOM 1635 N LYS A 107 3.825 -4.022 14.247 1.00 0.00 N ATOM 1636 CA LYS A 107 2.659 -4.331 15.066 1.00 0.00 C ATOM 1637 C LYS A 107 3.068 -5.066 16.339 1.00 0.00 C ATOM 1638 O LYS A 107 3.942 -5.931 16.312 1.00 0.00 O ATOM 1639 CB LYS A 107 1.663 -5.180 14.273 1.00 0.00 C ATOM 1640 CG LYS A 107 0.398 -5.514 15.044 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.518 -6.425 14.245 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.640 -6.982 15.108 1.00 0.00 C ATOM 1643 NZ LYS A 107 -2.558 -5.911 15.584 1.00 0.00 N ATOM 0 H LYS A 107 3.883 -4.555 13.379 1.00 0.00 H new ATOM 0 HA LYS A 107 2.184 -3.391 15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.392 -4.649 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.149 -6.107 13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.661 -5.996 15.985 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.130 -4.594 15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.942 -5.872 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.061 -7.247 13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.206 -7.718 14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.214 -7.503 15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.308 -6.331 16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.023 -5.222 16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.984 -5.430 14.766 1.00 0.00 H new ATOM 1657 N GLU A 108 2.430 -4.715 17.451 1.00 0.00 N ATOM 1658 CA GLU A 108 2.728 -5.342 18.733 1.00 0.00 C ATOM 1659 C GLU A 108 2.110 -6.735 18.814 1.00 0.00 C ATOM 1660 O GLU A 108 0.919 -6.882 19.089 1.00 0.00 O ATOM 1661 CB GLU A 108 2.211 -4.475 19.883 1.00 0.00 C ATOM 1662 CG GLU A 108 2.705 -4.919 21.249 1.00 0.00 C ATOM 1663 CD GLU A 108 2.343 -3.938 22.347 1.00 0.00 C ATOM 1664 OE1 GLU A 108 2.803 -2.779 22.282 1.00 0.00 O ATOM 1665 OE2 GLU A 108 1.600 -4.329 23.272 1.00 0.00 O ATOM 0 H GLU A 108 1.704 -4.000 17.490 1.00 0.00 H new ATOM 0 HA GLU A 108 3.810 -5.438 18.818 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.516 -3.442 19.714 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.121 -4.491 19.877 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.281 -5.895 21.485 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.788 -5.041 21.218 1.00 0.00 H new ATOM 1672 N ARG A 109 2.928 -7.754 18.572 1.00 0.00 N ATOM 1673 CA ARG A 109 2.462 -9.135 18.615 1.00 0.00 C ATOM 1674 C ARG A 109 2.290 -9.606 20.056 1.00 0.00 C ATOM 1675 O ARG A 109 3.114 -9.307 20.920 1.00 0.00 O ATOM 1676 CB ARG A 109 3.445 -10.050 17.883 1.00 0.00 C ATOM 1677 CG ARG A 109 4.887 -9.880 18.333 1.00 0.00 C ATOM 1678 CD ARG A 109 5.727 -11.099 17.985 1.00 0.00 C ATOM 1679 NE ARG A 109 7.036 -11.064 18.631 1.00 0.00 N ATOM 1680 CZ ARG A 109 7.248 -11.452 19.884 1.00 0.00 C ATOM 1681 NH1 ARG A 109 6.241 -11.901 20.621 1.00 0.00 N ATOM 1682 NH2 ARG A 109 8.468 -11.390 20.402 1.00 0.00 N ATOM 0 H ARG A 109 3.917 -7.649 18.344 1.00 0.00 H new ATOM 0 HA ARG A 109 1.493 -9.181 18.117 1.00 0.00 H new ATOM 0 HB2 ARG A 109 3.146 -11.087 18.036 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.382 -9.854 16.813 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.315 -8.995 17.861 1.00 0.00 H new ATOM 0 HG3 ARG A 109 4.916 -9.712 19.410 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.198 -12.002 18.288 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.857 -11.153 16.904 1.00 0.00 H new ATOM 0 HE ARG A 109 7.831 -10.723 18.091 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.302 -11.949 20.226 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.406 -12.198 21.583 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.244 -11.044 19.838 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.629 -11.688 21.364 1.00 0.00 H new ATOM 1696 N SER A 110 1.212 -10.342 20.308 1.00 0.00 N ATOM 1697 CA SER A 110 0.929 -10.850 21.645 1.00 0.00 C ATOM 1698 C SER A 110 1.880 -11.986 22.007 1.00 0.00 C ATOM 1699 O SER A 110 2.433 -12.022 23.105 1.00 0.00 O ATOM 1700 CB SER A 110 -0.520 -11.334 21.733 1.00 0.00 C ATOM 1701 OG SER A 110 -0.748 -12.423 20.855 1.00 0.00 O ATOM 0 H SER A 110 0.521 -10.600 19.604 1.00 0.00 H new ATOM 0 HA SER A 110 1.077 -10.036 22.355 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.745 -11.635 22.756 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.196 -10.515 21.485 1.00 0.00 H new ATOM 0 HG SER A 110 -1.680 -12.715 20.931 1.00 0.00 H new ATOM 1707 N GLY A 111 2.065 -12.915 21.074 1.00 0.00 N ATOM 1708 CA GLY A 111 2.949 -14.041 21.313 1.00 0.00 C ATOM 1709 C GLY A 111 3.459 -14.660 20.027 1.00 0.00 C ATOM 1710 O GLY A 111 2.921 -14.427 18.944 1.00 0.00 O ATOM 0 H GLY A 111 1.618 -12.908 20.157 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.796 -13.713 21.916 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.420 -14.798 21.892 1.00 0.00 H new ATOM 1714 N PRO A 112 4.523 -15.470 20.137 1.00 0.00 N ATOM 1715 CA PRO A 112 5.130 -16.140 18.983 1.00 0.00 C ATOM 1716 C PRO A 112 4.235 -17.234 18.411 1.00 0.00 C ATOM 1717 O PRO A 112 4.319 -18.393 18.815 1.00 0.00 O ATOM 1718 CB PRO A 112 6.412 -16.746 19.559 1.00 0.00 C ATOM 1719 CG PRO A 112 6.128 -16.924 21.011 1.00 0.00 C ATOM 1720 CD PRO A 112 5.215 -15.793 21.396 1.00 0.00 C ATOM 0 HA PRO A 112 5.301 -15.451 18.156 1.00 0.00 H new ATOM 0 HB2 PRO A 112 6.649 -17.697 19.082 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.267 -16.088 19.401 1.00 0.00 H new ATOM 0 HG2 PRO A 112 5.656 -17.888 21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.048 -16.899 21.595 1.00 0.00 H new ATOM 0 HD2 PRO A 112 4.513 -16.090 22.175 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.773 -14.938 21.779 1.00 0.00 H new ATOM 1728 N SER A 113 3.377 -16.857 17.468 1.00 0.00 N ATOM 1729 CA SER A 113 2.463 -17.805 16.842 1.00 0.00 C ATOM 1730 C SER A 113 3.198 -18.682 15.832 1.00 0.00 C ATOM 1731 O SER A 113 3.116 -19.909 15.884 1.00 0.00 O ATOM 1732 CB SER A 113 1.318 -17.063 16.152 1.00 0.00 C ATOM 1733 OG SER A 113 0.507 -16.385 17.096 1.00 0.00 O ATOM 0 H SER A 113 3.296 -15.901 17.121 1.00 0.00 H new ATOM 0 HA SER A 113 2.052 -18.445 17.623 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.723 -16.348 15.436 1.00 0.00 H new ATOM 0 HB3 SER A 113 0.710 -17.770 15.587 1.00 0.00 H new ATOM 0 HG SER A 113 -0.217 -15.917 16.629 1.00 0.00 H new ATOM 1739 N SER A 114 3.915 -18.042 14.914 1.00 0.00 N ATOM 1740 CA SER A 114 4.662 -18.762 13.889 1.00 0.00 C ATOM 1741 C SER A 114 6.123 -18.925 14.295 1.00 0.00 C ATOM 1742 O SER A 114 6.777 -17.966 14.703 1.00 0.00 O ATOM 1743 CB SER A 114 4.571 -18.026 12.551 1.00 0.00 C ATOM 1744 OG SER A 114 5.164 -16.742 12.634 1.00 0.00 O ATOM 0 H SER A 114 3.995 -17.027 14.859 1.00 0.00 H new ATOM 0 HA SER A 114 4.221 -19.753 13.781 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.068 -18.610 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.526 -17.929 12.256 1.00 0.00 H new ATOM 0 HG SER A 114 5.094 -16.293 11.766 1.00 0.00 H new ATOM 1750 N GLY A 115 6.630 -20.149 14.181 1.00 0.00 N ATOM 1751 CA GLY A 115 8.010 -20.417 14.539 1.00 0.00 C ATOM 1752 C GLY A 115 8.882 -20.687 13.329 1.00 0.00 C ATOM 1753 O GLY A 115 9.660 -21.641 13.316 1.00 0.00 O ATOM 0 H GLY A 115 6.109 -20.960 13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.411 -19.566 15.089 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.048 -21.276 15.209 1.00 0.00 H new TER 1757 GLY A 115