USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 723 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 27 GLN : amide:sc= -1.57! C(o=-13!,f=-13!) USER MOD Set 1.2: A 32 TYR OH : rot -80:sc= -1.76 USER MOD Set 1.3: A 103 ASN : amide:sc= -9.43! C(o=-13!,f=-16!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= -0.205 USER MOD Set 2.2: A 65 THR OG1 : rot -179:sc= -0.457 USER MOD Set 3.1: A 37 CYS SG : rot -62:sc= -10.4! USER MOD Set 3.2: A 47 CYS SG : rot -86:sc= -11.6! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.99! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 0.855 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 98:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.00579 USER MOD Single : A 36 GLN : amide:sc= -8.56! C(o=-8.6!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.41! C(o=-4.4!,f=-15!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -5:sc= 0.666! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 120:sc= -3.51! USER MOD Single : A 72 SER OG : rot -162:sc= -0.85 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 89 THR OG1 : rot -18:sc= 0.877 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.053) USER MOD Single : A 98 SER OG : rot 81:sc= -7.87! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.662 K(o=-0.66,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.985 12.605 -4.939 1.00 0.00 N ATOM 12 CA ALA A 2 3.583 11.591 -4.095 1.00 0.00 C ATOM 13 C ALA A 2 4.954 12.055 -3.624 1.00 0.00 C ATOM 14 O ALA A 2 5.827 12.346 -4.439 1.00 0.00 O ATOM 15 CB ALA A 2 3.694 10.283 -4.873 1.00 0.00 C ATOM 0 HA ALA A 2 2.956 11.426 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.144 9.519 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.701 9.958 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.317 10.436 -5.754 1.00 0.00 H new ATOM 21 N PRO A 3 5.142 12.125 -2.304 1.00 0.00 N ATOM 22 CA PRO A 3 6.376 12.543 -1.677 1.00 0.00 C ATOM 23 C PRO A 3 7.426 11.454 -1.839 1.00 0.00 C ATOM 24 O PRO A 3 7.184 10.450 -2.506 1.00 0.00 O ATOM 25 CB PRO A 3 6.019 12.744 -0.205 1.00 0.00 C ATOM 26 CG PRO A 3 4.890 11.737 0.009 1.00 0.00 C ATOM 27 CD PRO A 3 4.137 11.791 -1.318 1.00 0.00 C ATOM 0 HA PRO A 3 6.789 13.451 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.868 12.544 0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.694 13.765 -0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.273 10.738 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.252 12.016 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.665 10.835 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.345 12.539 -1.292 1.00 0.00 H new ATOM 35 N THR A 4 8.597 11.653 -1.230 1.00 0.00 N ATOM 36 CA THR A 4 9.674 10.687 -1.313 1.00 0.00 C ATOM 37 C THR A 4 9.712 9.843 -0.048 1.00 0.00 C ATOM 38 O THR A 4 9.924 10.365 1.044 1.00 0.00 O ATOM 39 CB THR A 4 10.998 11.418 -1.516 1.00 0.00 C ATOM 40 OG1 THR A 4 12.038 10.477 -1.652 1.00 0.00 O ATOM 41 CG2 THR A 4 11.275 12.312 -0.310 1.00 0.00 C ATOM 0 H THR A 4 8.816 12.480 -0.674 1.00 0.00 H new ATOM 0 HA THR A 4 9.506 10.024 -2.162 1.00 0.00 H new ATOM 0 HB THR A 4 10.941 12.029 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.888 10.946 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.221 12.835 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.471 13.040 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.332 11.701 0.591 1.00 0.00 H new ATOM 49 N ALA A 5 9.506 8.532 -0.198 1.00 0.00 N ATOM 50 CA ALA A 5 9.518 7.622 0.930 1.00 0.00 C ATOM 51 C ALA A 5 10.358 6.398 0.596 1.00 0.00 C ATOM 52 O ALA A 5 10.455 6.007 -0.565 1.00 0.00 O ATOM 53 CB ALA A 5 8.086 7.220 1.271 1.00 0.00 C ATOM 0 H ALA A 5 9.329 8.084 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 5 9.960 8.114 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.092 6.535 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.510 8.109 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.632 6.728 0.411 1.00 0.00 H new ATOM 59 N THR A 6 10.966 5.792 1.618 1.00 0.00 N ATOM 60 CA THR A 6 11.792 4.617 1.424 1.00 0.00 C ATOM 61 C THR A 6 11.149 3.414 2.098 1.00 0.00 C ATOM 62 O THR A 6 11.033 3.372 3.321 1.00 0.00 O ATOM 63 CB THR A 6 13.184 4.875 1.993 1.00 0.00 C ATOM 64 OG1 THR A 6 13.081 5.708 3.127 1.00 0.00 O ATOM 65 CG2 THR A 6 14.047 5.559 0.937 1.00 0.00 C ATOM 0 H THR A 6 10.896 6.103 2.587 1.00 0.00 H new ATOM 0 HA THR A 6 11.882 4.405 0.359 1.00 0.00 H new ATOM 0 HB THR A 6 13.641 3.927 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.975 5.873 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.041 5.743 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.127 4.916 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.590 6.507 0.652 1.00 0.00 H new ATOM 73 N VAL A 7 10.730 2.432 1.295 1.00 0.00 N ATOM 74 CA VAL A 7 10.102 1.235 1.815 1.00 0.00 C ATOM 75 C VAL A 7 11.024 0.041 1.614 1.00 0.00 C ATOM 76 O VAL A 7 11.801 0.008 0.662 1.00 0.00 O ATOM 77 CB VAL A 7 8.768 1.013 1.108 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.145 2.362 0.760 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.998 0.214 -0.172 1.00 0.00 C ATOM 0 H VAL A 7 10.819 2.452 0.279 1.00 0.00 H new ATOM 0 HA VAL A 7 9.917 1.351 2.883 1.00 0.00 H new ATOM 0 HB VAL A 7 8.096 0.462 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.192 2.203 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.981 2.933 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.817 2.914 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.046 0.055 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.670 0.765 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.443 -0.750 0.076 1.00 0.00 H new ATOM 89 N THR A 8 10.938 -0.942 2.514 1.00 0.00 N ATOM 90 CA THR A 8 11.764 -2.129 2.426 1.00 0.00 C ATOM 91 C THR A 8 11.328 -2.978 1.241 1.00 0.00 C ATOM 92 O THR A 8 10.266 -2.749 0.667 1.00 0.00 O ATOM 93 CB THR A 8 11.657 -2.919 3.727 1.00 0.00 C ATOM 94 OG1 THR A 8 12.937 -3.367 4.112 1.00 0.00 O ATOM 95 CG2 THR A 8 10.739 -4.121 3.517 1.00 0.00 C ATOM 0 H THR A 8 10.301 -0.931 3.310 1.00 0.00 H new ATOM 0 HA THR A 8 12.804 -1.841 2.275 1.00 0.00 H new ATOM 0 HB THR A 8 11.246 -2.279 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.869 -3.873 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.662 -4.686 4.446 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.749 -3.775 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.150 -4.761 2.736 1.00 0.00 H new ATOM 103 N PRO A 9 12.153 -3.963 0.876 1.00 0.00 N ATOM 104 CA PRO A 9 11.903 -4.871 -0.223 1.00 0.00 C ATOM 105 C PRO A 9 10.797 -5.843 0.160 1.00 0.00 C ATOM 106 O PRO A 9 10.936 -6.598 1.120 1.00 0.00 O ATOM 107 CB PRO A 9 13.227 -5.602 -0.434 1.00 0.00 C ATOM 108 CG PRO A 9 13.834 -5.615 0.968 1.00 0.00 C ATOM 109 CD PRO A 9 13.409 -4.260 1.529 1.00 0.00 C ATOM 0 HA PRO A 9 11.578 -4.362 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.075 -6.611 -0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.867 -5.082 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.450 -6.440 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.919 -5.719 0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.291 -4.300 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.155 -3.494 1.318 1.00 0.00 H new ATOM 117 N SER A 10 9.696 -5.824 -0.594 1.00 0.00 N ATOM 118 CA SER A 10 8.574 -6.702 -0.329 1.00 0.00 C ATOM 119 C SER A 10 8.234 -7.498 -1.582 1.00 0.00 C ATOM 120 O SER A 10 7.173 -8.113 -1.660 1.00 0.00 O ATOM 121 CB SER A 10 7.376 -5.873 0.125 1.00 0.00 C ATOM 122 OG SER A 10 7.697 -4.502 0.048 1.00 0.00 O ATOM 0 H SER A 10 9.565 -5.205 -1.394 1.00 0.00 H new ATOM 0 HA SER A 10 8.836 -7.403 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.511 -6.091 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.104 -6.137 1.147 1.00 0.00 H new ATOM 0 HG SER A 10 6.927 -3.969 0.338 1.00 0.00 H new ATOM 128 N SER A 11 9.140 -7.486 -2.562 1.00 0.00 N ATOM 129 CA SER A 11 8.933 -8.207 -3.802 1.00 0.00 C ATOM 130 C SER A 11 9.539 -9.600 -3.697 1.00 0.00 C ATOM 131 O SER A 11 10.753 -9.743 -3.573 1.00 0.00 O ATOM 132 CB SER A 11 9.563 -7.429 -4.953 1.00 0.00 C ATOM 133 OG SER A 11 10.948 -7.291 -4.725 1.00 0.00 O ATOM 0 H SER A 11 10.025 -6.980 -2.512 1.00 0.00 H new ATOM 0 HA SER A 11 7.865 -8.311 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.389 -7.948 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.098 -6.447 -5.040 1.00 0.00 H new ATOM 0 HG SER A 11 11.288 -8.094 -4.278 1.00 0.00 H new ATOM 139 N GLY A 12 8.689 -10.628 -3.748 1.00 0.00 N ATOM 140 CA GLY A 12 9.149 -12.000 -3.659 1.00 0.00 C ATOM 141 C GLY A 12 9.152 -12.462 -2.208 1.00 0.00 C ATOM 142 O GLY A 12 9.866 -13.397 -1.854 1.00 0.00 O ATOM 0 H GLY A 12 7.679 -10.528 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.503 -12.647 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.153 -12.082 -4.076 1.00 0.00 H new ATOM 146 N LEU A 13 8.350 -11.803 -1.369 1.00 0.00 N ATOM 147 CA LEU A 13 8.263 -12.148 0.036 1.00 0.00 C ATOM 148 C LEU A 13 6.925 -12.813 0.324 1.00 0.00 C ATOM 149 O LEU A 13 5.894 -12.389 -0.195 1.00 0.00 O ATOM 150 CB LEU A 13 8.433 -10.887 0.880 1.00 0.00 C ATOM 151 CG LEU A 13 9.448 -9.963 0.214 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.133 -9.109 1.277 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.493 -10.799 -0.519 1.00 0.00 C ATOM 0 H LEU A 13 7.752 -11.025 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 13 9.056 -12.851 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.476 -10.376 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.768 -11.150 1.883 1.00 0.00 H new ATOM 0 HG LEU A 13 8.937 -9.315 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.858 -8.449 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.387 -8.511 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.644 -9.756 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.218 -10.139 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.004 -11.447 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.004 -11.408 -1.279 1.00 0.00 H new ATOM 165 N SER A 14 6.942 -13.858 1.154 1.00 0.00 N ATOM 166 CA SER A 14 5.732 -14.573 1.506 1.00 0.00 C ATOM 167 C SER A 14 5.202 -14.067 2.839 1.00 0.00 C ATOM 168 O SER A 14 5.884 -13.320 3.538 1.00 0.00 O ATOM 169 CB SER A 14 6.028 -16.069 1.574 1.00 0.00 C ATOM 170 OG SER A 14 6.473 -16.518 0.314 1.00 0.00 O ATOM 0 H SER A 14 7.788 -14.222 1.592 1.00 0.00 H new ATOM 0 HA SER A 14 4.969 -14.401 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.787 -16.266 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.132 -16.615 1.871 1.00 0.00 H new ATOM 0 HG SER A 14 6.665 -17.478 0.358 1.00 0.00 H new ATOM 176 N ASP A 15 3.981 -14.476 3.192 1.00 0.00 N ATOM 177 CA ASP A 15 3.367 -14.062 4.438 1.00 0.00 C ATOM 178 C ASP A 15 4.378 -14.167 5.570 1.00 0.00 C ATOM 179 O ASP A 15 5.284 -14.996 5.521 1.00 0.00 O ATOM 180 CB ASP A 15 2.148 -14.937 4.718 1.00 0.00 C ATOM 181 CG ASP A 15 2.415 -16.383 4.324 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.475 -16.898 4.739 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.553 -16.946 3.615 1.00 0.00 O ATOM 0 H ASP A 15 3.403 -15.096 2.624 1.00 0.00 H new ATOM 0 HA ASP A 15 3.043 -13.024 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.894 -14.885 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.289 -14.558 4.165 1.00 0.00 H new ATOM 188 N GLY A 16 4.223 -13.324 6.594 1.00 0.00 N ATOM 189 CA GLY A 16 5.125 -13.330 7.728 1.00 0.00 C ATOM 190 C GLY A 16 6.194 -12.260 7.559 1.00 0.00 C ATOM 191 O GLY A 16 6.766 -11.789 8.539 1.00 0.00 O ATOM 0 H GLY A 16 3.477 -12.631 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.566 -13.153 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.593 -14.310 7.823 1.00 0.00 H new ATOM 195 N THR A 17 6.464 -11.876 6.309 1.00 0.00 N ATOM 196 CA THR A 17 7.461 -10.865 6.021 1.00 0.00 C ATOM 197 C THR A 17 6.889 -9.481 6.290 1.00 0.00 C ATOM 198 O THR A 17 5.708 -9.237 6.051 1.00 0.00 O ATOM 199 CB THR A 17 7.909 -10.992 4.568 1.00 0.00 C ATOM 200 OG1 THR A 17 8.835 -12.050 4.452 1.00 0.00 O ATOM 201 CG2 THR A 17 8.566 -9.689 4.122 1.00 0.00 C ATOM 0 H THR A 17 6.000 -12.256 5.484 1.00 0.00 H new ATOM 0 HA THR A 17 8.326 -11.009 6.668 1.00 0.00 H new ATOM 0 HB THR A 17 7.044 -11.196 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.373 -12.857 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.886 -9.780 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.850 -8.872 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.431 -9.484 4.752 1.00 0.00 H new ATOM 209 N VAL A 18 7.731 -8.573 6.788 1.00 0.00 N ATOM 210 CA VAL A 18 7.308 -7.220 7.087 1.00 0.00 C ATOM 211 C VAL A 18 7.998 -6.245 6.144 1.00 0.00 C ATOM 212 O VAL A 18 9.143 -6.461 5.753 1.00 0.00 O ATOM 213 CB VAL A 18 7.639 -6.893 8.540 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.140 -7.044 8.766 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.221 -5.457 8.846 1.00 0.00 C ATOM 0 H VAL A 18 8.713 -8.760 6.991 1.00 0.00 H new ATOM 0 HA VAL A 18 6.231 -7.132 6.946 1.00 0.00 H new ATOM 0 HB VAL A 18 7.102 -7.576 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.377 -6.810 9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.440 -8.069 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.677 -6.361 8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.457 -5.223 9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.758 -4.774 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.149 -5.348 8.684 1.00 0.00 H new ATOM 225 N VAL A 19 7.297 -5.168 5.778 1.00 0.00 N ATOM 226 CA VAL A 19 7.844 -4.167 4.884 1.00 0.00 C ATOM 227 C VAL A 19 7.942 -2.831 5.607 1.00 0.00 C ATOM 228 O VAL A 19 7.239 -2.601 6.588 1.00 0.00 O ATOM 229 CB VAL A 19 6.956 -4.051 3.648 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.202 -5.360 3.438 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.957 -2.914 3.846 1.00 0.00 C ATOM 0 H VAL A 19 6.346 -4.975 6.093 1.00 0.00 H new ATOM 0 HA VAL A 19 8.845 -4.461 4.569 1.00 0.00 H new ATOM 0 HB VAL A 19 7.574 -3.845 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.568 -5.277 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.915 -6.172 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.583 -5.568 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.322 -2.830 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.339 -3.121 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.496 -1.978 3.996 1.00 0.00 H new ATOM 241 N LYS A 20 8.818 -1.949 5.118 1.00 0.00 N ATOM 242 CA LYS A 20 9.001 -0.644 5.719 1.00 0.00 C ATOM 243 C LYS A 20 8.521 0.439 4.763 1.00 0.00 C ATOM 244 O LYS A 20 8.563 0.260 3.548 1.00 0.00 O ATOM 245 CB LYS A 20 10.474 -0.446 6.064 1.00 0.00 C ATOM 246 CG LYS A 20 10.591 0.234 7.426 1.00 0.00 C ATOM 247 CD LYS A 20 10.555 1.748 7.244 1.00 0.00 C ATOM 248 CE LYS A 20 11.491 2.405 8.254 1.00 0.00 C ATOM 249 NZ LYS A 20 10.797 2.669 9.523 1.00 0.00 N ATOM 0 H LYS A 20 9.409 -2.125 4.305 1.00 0.00 H new ATOM 0 HA LYS A 20 8.414 -0.577 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.987 -1.408 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.959 0.161 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.775 -0.084 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.520 -0.062 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.856 2.010 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.539 2.117 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.350 1.758 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.875 3.339 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.456 3.116 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.992 3.305 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.452 1.773 9.923 1.00 0.00 H new ATOM 263 N VAL A 21 8.064 1.565 5.316 1.00 0.00 N ATOM 264 CA VAL A 21 7.579 2.669 4.512 1.00 0.00 C ATOM 265 C VAL A 21 7.910 3.988 5.196 1.00 0.00 C ATOM 266 O VAL A 21 7.275 4.355 6.182 1.00 0.00 O ATOM 267 CB VAL A 21 6.073 2.528 4.311 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.339 3.279 5.418 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.684 3.112 2.956 1.00 0.00 C ATOM 0 H VAL A 21 8.023 1.728 6.322 1.00 0.00 H new ATOM 0 HA VAL A 21 8.065 2.655 3.537 1.00 0.00 H new ATOM 0 HB VAL A 21 5.799 1.473 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.263 3.178 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.616 2.862 6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.612 4.334 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.608 3.012 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.958 4.167 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.208 2.576 2.165 1.00 0.00 H new ATOM 279 N ALA A 22 8.909 4.700 4.670 1.00 0.00 N ATOM 280 CA ALA A 22 9.320 5.972 5.231 1.00 0.00 C ATOM 281 C ALA A 22 9.077 7.084 4.221 1.00 0.00 C ATOM 282 O ALA A 22 9.694 7.105 3.158 1.00 0.00 O ATOM 283 CB ALA A 22 10.795 5.904 5.616 1.00 0.00 C ATOM 0 H ALA A 22 9.445 4.409 3.853 1.00 0.00 H new ATOM 0 HA ALA A 22 8.734 6.186 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.105 6.860 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.942 5.116 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.393 5.687 4.731 1.00 0.00 H new ATOM 289 N GLY A 23 8.175 8.010 4.554 1.00 0.00 N ATOM 290 CA GLY A 23 7.860 9.116 3.672 1.00 0.00 C ATOM 291 C GLY A 23 8.861 10.246 3.864 1.00 0.00 C ATOM 292 O GLY A 23 9.306 10.502 4.981 1.00 0.00 O ATOM 0 H GLY A 23 7.654 8.008 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.876 8.779 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.851 9.476 3.875 1.00 0.00 H new ATOM 296 N ALA A 24 9.216 10.923 2.769 1.00 0.00 N ATOM 297 CA ALA A 24 10.162 12.019 2.821 1.00 0.00 C ATOM 298 C ALA A 24 9.699 13.143 1.905 1.00 0.00 C ATOM 299 O ALA A 24 9.716 12.999 0.685 1.00 0.00 O ATOM 300 CB ALA A 24 11.542 11.518 2.407 1.00 0.00 C ATOM 0 H ALA A 24 8.856 10.723 1.836 1.00 0.00 H new ATOM 0 HA ALA A 24 10.221 12.407 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.255 12.342 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.862 10.729 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.497 11.125 1.391 1.00 0.00 H new ATOM 306 N GLY A 25 9.283 14.266 2.496 1.00 0.00 N ATOM 307 CA GLY A 25 8.819 15.404 1.728 1.00 0.00 C ATOM 308 C GLY A 25 7.298 15.419 1.675 1.00 0.00 C ATOM 309 O GLY A 25 6.712 15.996 0.761 1.00 0.00 O ATOM 0 H GLY A 25 9.261 14.403 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.183 16.328 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.225 15.359 0.717 1.00 0.00 H new ATOM 313 N LEU A 26 6.659 14.782 2.658 1.00 0.00 N ATOM 314 CA LEU A 26 5.212 14.724 2.720 1.00 0.00 C ATOM 315 C LEU A 26 4.678 15.939 3.466 1.00 0.00 C ATOM 316 O LEU A 26 5.423 16.875 3.746 1.00 0.00 O ATOM 317 CB LEU A 26 4.783 13.434 3.412 1.00 0.00 C ATOM 318 CG LEU A 26 5.752 12.314 3.043 1.00 0.00 C ATOM 319 CD1 LEU A 26 4.984 11.002 2.903 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.436 12.647 1.721 1.00 0.00 C ATOM 0 H LEU A 26 7.131 14.299 3.422 1.00 0.00 H new ATOM 0 HA LEU A 26 4.801 14.733 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.768 13.576 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.770 13.167 3.112 1.00 0.00 H new ATOM 0 HG LEU A 26 6.504 12.213 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.676 10.202 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.496 10.763 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.231 11.103 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.128 11.847 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.685 12.749 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.985 13.583 1.821 1.00 0.00 H new ATOM 332 N GLN A 27 3.382 15.922 3.788 1.00 0.00 N ATOM 333 CA GLN A 27 2.757 17.019 4.497 1.00 0.00 C ATOM 334 C GLN A 27 3.027 16.890 5.990 1.00 0.00 C ATOM 335 O GLN A 27 2.695 15.875 6.597 1.00 0.00 O ATOM 336 CB GLN A 27 1.257 17.015 4.217 1.00 0.00 C ATOM 337 CG GLN A 27 1.000 17.549 2.811 1.00 0.00 C ATOM 338 CD GLN A 27 0.756 16.409 1.833 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.567 16.170 0.941 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.365 15.704 2.003 1.00 0.00 N ATOM 0 H GLN A 27 2.751 15.153 3.564 1.00 0.00 H new ATOM 0 HA GLN A 27 3.176 17.965 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.861 16.004 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.738 17.630 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.137 18.214 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.854 18.140 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.007 15.942 2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.579 14.928 1.377 1.00 0.00 H new ATOM 349 N ALA A 28 3.632 17.924 6.580 1.00 0.00 N ATOM 350 CA ALA A 28 3.943 17.921 7.995 1.00 0.00 C ATOM 351 C ALA A 28 2.662 18.056 8.805 1.00 0.00 C ATOM 352 O ALA A 28 1.837 18.922 8.525 1.00 0.00 O ATOM 353 CB ALA A 28 4.903 19.066 8.306 1.00 0.00 C ATOM 0 H ALA A 28 3.914 18.773 6.090 1.00 0.00 H new ATOM 0 HA ALA A 28 4.422 16.979 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.138 19.065 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.821 18.938 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.437 20.014 8.038 1.00 0.00 H new ATOM 359 N GLY A 29 2.496 17.196 9.813 1.00 0.00 N ATOM 360 CA GLY A 29 1.316 17.228 10.654 1.00 0.00 C ATOM 361 C GLY A 29 0.122 16.646 9.909 1.00 0.00 C ATOM 362 O GLY A 29 -1.006 16.713 10.392 1.00 0.00 O ATOM 0 H GLY A 29 3.170 16.471 10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.496 16.660 11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.102 18.254 10.954 1.00 0.00 H new ATOM 366 N THR A 30 0.373 16.075 8.729 1.00 0.00 N ATOM 367 CA THR A 30 -0.682 15.487 7.929 1.00 0.00 C ATOM 368 C THR A 30 -0.766 13.992 8.199 1.00 0.00 C ATOM 369 O THR A 30 0.257 13.326 8.345 1.00 0.00 O ATOM 370 CB THR A 30 -0.407 15.754 6.451 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.387 16.632 5.943 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.453 14.439 5.679 1.00 0.00 C ATOM 0 H THR A 30 1.302 16.012 8.313 1.00 0.00 H new ATOM 0 HA THR A 30 -1.638 15.937 8.196 1.00 0.00 H new ATOM 0 HB THR A 30 0.579 16.205 6.340 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.308 16.681 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.257 14.629 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.303 13.760 6.072 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.439 13.987 5.789 1.00 0.00 H new ATOM 380 N ALA A 31 -1.990 13.464 8.265 1.00 0.00 N ATOM 381 CA ALA A 31 -2.203 12.054 8.518 1.00 0.00 C ATOM 382 C ALA A 31 -2.258 11.296 7.199 1.00 0.00 C ATOM 383 O ALA A 31 -2.644 11.856 6.175 1.00 0.00 O ATOM 384 CB ALA A 31 -3.498 11.868 9.303 1.00 0.00 C ATOM 0 H ALA A 31 -2.848 14.003 8.145 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.377 11.658 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.659 10.807 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.428 12.401 10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.334 12.263 8.725 1.00 0.00 H new ATOM 390 N TYR A 32 -1.869 10.019 7.225 1.00 0.00 N ATOM 391 CA TYR A 32 -1.875 9.196 6.033 1.00 0.00 C ATOM 392 C TYR A 32 -2.409 7.810 6.365 1.00 0.00 C ATOM 393 O TYR A 32 -2.321 7.366 7.508 1.00 0.00 O ATOM 394 CB TYR A 32 -0.459 9.109 5.470 1.00 0.00 C ATOM 395 CG TYR A 32 -0.004 10.376 4.786 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.685 10.846 3.657 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.099 11.081 5.282 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.264 12.021 3.023 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.521 12.257 4.648 1.00 0.00 C ATOM 400 CZ TYR A 32 0.840 12.726 3.519 1.00 0.00 C ATOM 401 OH TYR A 32 1.250 13.871 2.902 1.00 0.00 O ATOM 0 H TYR A 32 -1.547 9.540 8.066 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.525 9.643 5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.232 8.875 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.409 8.284 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.536 10.302 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.625 10.719 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.790 12.384 2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.372 12.801 5.031 1.00 0.00 H new ATOM 0 HH TYR A 32 1.782 13.644 2.111 1.00 0.00 H new ATOM 411 N ASP A 33 -2.963 7.125 5.362 1.00 0.00 N ATOM 412 CA ASP A 33 -3.508 5.796 5.553 1.00 0.00 C ATOM 413 C ASP A 33 -2.754 4.801 4.682 1.00 0.00 C ATOM 414 O ASP A 33 -2.849 4.849 3.458 1.00 0.00 O ATOM 415 CB ASP A 33 -4.994 5.802 5.206 1.00 0.00 C ATOM 416 CG ASP A 33 -5.835 6.154 6.424 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.242 6.680 7.391 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.056 5.891 6.366 1.00 0.00 O ATOM 0 H ASP A 33 -3.042 7.478 4.408 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.393 5.497 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.182 6.521 4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.287 4.823 4.828 1.00 0.00 H new ATOM 423 N VAL A 34 -2.005 3.897 5.317 1.00 0.00 N ATOM 424 CA VAL A 34 -1.240 2.897 4.599 1.00 0.00 C ATOM 425 C VAL A 34 -2.015 1.588 4.559 1.00 0.00 C ATOM 426 O VAL A 34 -2.778 1.288 5.474 1.00 0.00 O ATOM 427 CB VAL A 34 0.112 2.706 5.281 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.171 2.385 4.230 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.496 3.986 6.017 1.00 0.00 C ATOM 0 H VAL A 34 -1.917 3.844 6.332 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.071 3.228 3.574 1.00 0.00 H new ATOM 0 HB VAL A 34 0.047 1.884 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.137 2.249 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.897 1.470 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.237 3.207 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.462 3.850 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.561 4.809 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.260 4.215 6.768 1.00 0.00 H new ATOM 439 N GLY A 35 -1.817 0.806 3.495 1.00 0.00 N ATOM 440 CA GLY A 35 -2.498 -0.465 3.347 1.00 0.00 C ATOM 441 C GLY A 35 -1.992 -1.194 2.110 1.00 0.00 C ATOM 442 O GLY A 35 -1.310 -0.604 1.274 1.00 0.00 O ATOM 0 H GLY A 35 -1.188 1.039 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.333 -1.079 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.573 -0.302 3.268 1.00 0.00 H new ATOM 446 N GLN A 36 -2.329 -2.480 1.995 1.00 0.00 N ATOM 447 CA GLN A 36 -1.907 -3.282 0.864 1.00 0.00 C ATOM 448 C GLN A 36 -3.095 -3.556 -0.047 1.00 0.00 C ATOM 449 O GLN A 36 -4.144 -4.000 0.415 1.00 0.00 O ATOM 450 CB GLN A 36 -1.298 -4.588 1.367 1.00 0.00 C ATOM 451 CG GLN A 36 -0.460 -5.219 0.259 1.00 0.00 C ATOM 452 CD GLN A 36 -0.060 -6.641 0.625 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.819 -6.846 1.460 1.00 0.00 O ATOM 454 NE2 GLN A 36 -0.707 -7.626 -0.004 1.00 0.00 N ATOM 0 H GLN A 36 -2.895 -2.982 2.678 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.153 -2.742 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.678 -4.399 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.087 -5.274 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.026 -5.224 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.433 -4.619 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.429 -7.405 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.479 -8.599 0.201 1.00 0.00 H new ATOM 463 N CYS A 37 -2.928 -3.291 -1.345 1.00 0.00 N ATOM 464 CA CYS A 37 -3.984 -3.511 -2.312 1.00 0.00 C ATOM 465 C CYS A 37 -3.473 -4.396 -3.440 1.00 0.00 C ATOM 466 O CYS A 37 -2.268 -4.592 -3.580 1.00 0.00 O ATOM 467 CB CYS A 37 -4.464 -2.167 -2.854 1.00 0.00 C ATOM 468 SG CYS A 37 -5.201 -1.089 -1.601 1.00 0.00 S ATOM 0 H CYS A 37 -2.064 -2.922 -1.743 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.823 -4.015 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.621 -1.650 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.196 -2.345 -3.642 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.262 -1.657 -1.109 1.00 0.00 H new ATOM 473 N ALA A 38 -4.394 -4.932 -4.245 1.00 0.00 N ATOM 474 CA ALA A 38 -4.033 -5.793 -5.353 1.00 0.00 C ATOM 475 C ALA A 38 -4.950 -5.522 -6.537 1.00 0.00 C ATOM 476 O ALA A 38 -6.170 -5.610 -6.412 1.00 0.00 O ATOM 477 CB ALA A 38 -4.132 -7.251 -4.915 1.00 0.00 C ATOM 0 H ALA A 38 -5.397 -4.779 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.007 -5.588 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.861 -7.900 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.453 -7.427 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.153 -7.469 -4.603 1.00 0.00 H new ATOM 483 N TRP A 39 -4.362 -5.190 -7.688 1.00 0.00 N ATOM 484 CA TRP A 39 -5.131 -4.910 -8.883 1.00 0.00 C ATOM 485 C TRP A 39 -5.860 -6.167 -9.337 1.00 0.00 C ATOM 486 O TRP A 39 -5.228 -7.166 -9.674 1.00 0.00 O ATOM 487 CB TRP A 39 -4.199 -4.400 -9.979 1.00 0.00 C ATOM 488 CG TRP A 39 -4.609 -4.759 -11.371 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.875 -4.999 -11.775 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.774 -4.927 -12.557 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.881 -5.301 -13.120 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.609 -5.271 -13.654 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.396 -4.823 -12.819 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.107 -5.501 -14.938 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.882 -5.051 -14.104 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.732 -5.389 -15.163 1.00 0.00 C ATOM 0 H TRP A 39 -3.352 -5.111 -7.809 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.874 -4.142 -8.669 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.133 -3.315 -9.904 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.199 -4.793 -9.797 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.749 -4.960 -11.141 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.722 -5.520 -13.654 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.722 -4.563 -12.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.774 -5.762 -15.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.820 -4.965 -14.278 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.328 -5.562 -16.149 1.00 0.00 H new ATOM 507 N VAL A 40 -7.194 -6.115 -9.344 1.00 0.00 N ATOM 508 CA VAL A 40 -8.001 -7.245 -9.755 1.00 0.00 C ATOM 509 C VAL A 40 -8.460 -7.055 -11.193 1.00 0.00 C ATOM 510 O VAL A 40 -8.436 -7.995 -11.984 1.00 0.00 O ATOM 511 CB VAL A 40 -9.199 -7.381 -8.819 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.738 -7.955 -7.482 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.826 -6.008 -8.594 1.00 0.00 C ATOM 0 H VAL A 40 -7.732 -5.294 -9.067 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.409 -8.158 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.936 -8.049 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.593 -8.052 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.289 -8.935 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.001 -7.288 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.682 -6.104 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.089 -5.340 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.155 -5.598 -9.549 1.00 0.00 H new ATOM 523 N ASP A 41 -8.878 -5.833 -11.532 1.00 0.00 N ATOM 524 CA ASP A 41 -9.339 -5.526 -12.871 1.00 0.00 C ATOM 525 C ASP A 41 -8.796 -4.173 -13.305 1.00 0.00 C ATOM 526 O ASP A 41 -8.073 -3.522 -12.555 1.00 0.00 O ATOM 527 CB ASP A 41 -10.865 -5.531 -12.896 1.00 0.00 C ATOM 528 CG ASP A 41 -11.391 -6.652 -13.782 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.748 -6.900 -14.825 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.426 -7.239 -13.400 1.00 0.00 O ATOM 0 H ASP A 41 -8.903 -5.043 -10.888 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.975 -6.281 -13.568 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.249 -5.652 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.230 -4.571 -13.262 1.00 0.00 H new ATOM 535 N THR A 42 -9.147 -3.748 -14.521 1.00 0.00 N ATOM 536 CA THR A 42 -8.693 -2.475 -15.043 1.00 0.00 C ATOM 537 C THR A 42 -9.239 -1.339 -14.189 1.00 0.00 C ATOM 538 O THR A 42 -10.441 -1.082 -14.187 1.00 0.00 O ATOM 539 CB THR A 42 -9.149 -2.328 -16.492 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.447 -3.246 -17.301 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.867 -0.908 -16.973 1.00 0.00 C ATOM 0 H THR A 42 -9.746 -4.275 -15.157 1.00 0.00 H new ATOM 0 HA THR A 42 -7.604 -2.434 -15.011 1.00 0.00 H new ATOM 0 HB THR A 42 -10.218 -2.528 -16.558 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.741 -3.153 -18.231 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.193 -0.803 -18.008 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.409 -0.198 -16.348 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.798 -0.707 -16.907 1.00 0.00 H new ATOM 549 N GLY A 43 -8.351 -0.657 -13.462 1.00 0.00 N ATOM 550 CA GLY A 43 -8.751 0.445 -12.610 1.00 0.00 C ATOM 551 C GLY A 43 -9.516 -0.074 -11.400 1.00 0.00 C ATOM 552 O GLY A 43 -10.076 0.707 -10.634 1.00 0.00 O ATOM 0 H GLY A 43 -7.351 -0.856 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.871 0.999 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.374 1.141 -13.172 1.00 0.00 H new ATOM 556 N VAL A 44 -9.537 -1.398 -11.230 1.00 0.00 N ATOM 557 CA VAL A 44 -10.231 -2.015 -10.117 1.00 0.00 C ATOM 558 C VAL A 44 -9.255 -2.849 -9.300 1.00 0.00 C ATOM 559 O VAL A 44 -8.834 -3.918 -9.735 1.00 0.00 O ATOM 560 CB VAL A 44 -11.371 -2.880 -10.646 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.103 -3.530 -9.475 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.345 -2.011 -11.436 1.00 0.00 C ATOM 0 H VAL A 44 -9.077 -2.059 -11.856 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.649 -1.243 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.966 -3.655 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.917 -4.148 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.408 -4.152 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.508 -2.755 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.160 -2.629 -11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.750 -1.235 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.823 -1.548 -12.273 1.00 0.00 H new ATOM 572 N LEU A 45 -8.895 -2.357 -8.112 1.00 0.00 N ATOM 573 CA LEU A 45 -7.972 -3.057 -7.242 1.00 0.00 C ATOM 574 C LEU A 45 -8.618 -3.288 -5.883 1.00 0.00 C ATOM 575 O LEU A 45 -9.256 -2.391 -5.336 1.00 0.00 O ATOM 576 CB LEU A 45 -6.690 -2.242 -7.099 1.00 0.00 C ATOM 577 CG LEU A 45 -6.798 -1.335 -5.877 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.399 -0.950 -5.404 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.576 -0.075 -6.245 1.00 0.00 C ATOM 0 H LEU A 45 -9.236 -1.472 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.724 -4.026 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.833 -2.907 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.524 -1.644 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.319 -1.863 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.476 -0.302 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.844 -1.850 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.877 -0.423 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.653 0.573 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.056 0.453 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.575 -0.350 -6.582 1.00 0.00 H new ATOM 591 N ALA A 46 -8.451 -4.496 -5.338 1.00 0.00 N ATOM 592 CA ALA A 46 -9.018 -4.838 -4.050 1.00 0.00 C ATOM 593 C ALA A 46 -8.074 -4.400 -2.939 1.00 0.00 C ATOM 594 O ALA A 46 -6.878 -4.230 -3.169 1.00 0.00 O ATOM 595 CB ALA A 46 -9.265 -6.343 -3.987 1.00 0.00 C ATOM 0 H ALA A 46 -7.924 -5.250 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.969 -4.321 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.692 -6.601 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.958 -6.631 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.322 -6.872 -4.121 1.00 0.00 H new ATOM 601 N CYS A 47 -8.614 -4.218 -1.732 1.00 0.00 N ATOM 602 CA CYS A 47 -7.820 -3.801 -0.593 1.00 0.00 C ATOM 603 C CYS A 47 -8.022 -4.775 0.559 1.00 0.00 C ATOM 604 O CYS A 47 -9.039 -5.462 0.623 1.00 0.00 O ATOM 605 CB CYS A 47 -8.223 -2.387 -0.184 1.00 0.00 C ATOM 606 SG CYS A 47 -7.520 -1.090 -1.232 1.00 0.00 S ATOM 0 H CYS A 47 -9.603 -4.356 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.763 -3.800 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.310 -2.309 -0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.913 -2.215 0.847 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.337 -0.773 -0.795 1.00 0.00 H new ATOM 611 N ASN A 48 -7.050 -4.833 1.472 1.00 0.00 N ATOM 612 CA ASN A 48 -7.128 -5.721 2.615 1.00 0.00 C ATOM 613 C ASN A 48 -6.983 -4.923 3.903 1.00 0.00 C ATOM 614 O ASN A 48 -5.913 -4.390 4.189 1.00 0.00 O ATOM 615 CB ASN A 48 -6.035 -6.780 2.509 1.00 0.00 C ATOM 616 CG ASN A 48 -6.017 -7.668 3.746 1.00 0.00 C ATOM 617 OD1 ASN A 48 -7.046 -7.856 4.391 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.844 -8.214 4.074 1.00 0.00 N ATOM 0 H ASN A 48 -6.200 -4.270 1.434 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.098 -6.217 2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.199 -7.390 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.065 -6.297 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.774 -8.818 4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.018 -8.027 3.506 1.00 0.00 H new ATOM 625 N PRO A 49 -8.064 -4.843 4.681 1.00 0.00 N ATOM 626 CA PRO A 49 -8.112 -4.131 5.940 1.00 0.00 C ATOM 627 C PRO A 49 -7.325 -4.900 6.992 1.00 0.00 C ATOM 628 O PRO A 49 -7.227 -4.465 8.137 1.00 0.00 O ATOM 629 CB PRO A 49 -9.595 -4.072 6.300 1.00 0.00 C ATOM 630 CG PRO A 49 -10.148 -5.347 5.665 1.00 0.00 C ATOM 631 CD PRO A 49 -9.338 -5.457 4.375 1.00 0.00 C ATOM 0 HA PRO A 49 -7.674 -3.134 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.749 -4.058 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.074 -3.179 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.005 -6.215 6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.217 -5.270 5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.213 -6.497 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.836 -4.945 3.551 1.00 0.00 H new ATOM 639 N ALA A 50 -6.766 -6.047 6.600 1.00 0.00 N ATOM 640 CA ALA A 50 -5.995 -6.871 7.509 1.00 0.00 C ATOM 641 C ALA A 50 -4.542 -6.418 7.508 1.00 0.00 C ATOM 642 O ALA A 50 -3.766 -6.811 8.377 1.00 0.00 O ATOM 643 CB ALA A 50 -6.106 -8.333 7.088 1.00 0.00 C ATOM 0 H ALA A 50 -6.838 -6.420 5.653 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.387 -6.768 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.526 -8.953 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.151 -8.641 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.720 -8.450 6.075 1.00 0.00 H new ATOM 649 N ASP A 51 -4.173 -5.589 6.529 1.00 0.00 N ATOM 650 CA ASP A 51 -2.817 -5.090 6.419 1.00 0.00 C ATOM 651 C ASP A 51 -2.838 -3.577 6.254 1.00 0.00 C ATOM 652 O ASP A 51 -1.931 -3.004 5.655 1.00 0.00 O ATOM 653 CB ASP A 51 -2.125 -5.754 5.233 1.00 0.00 C ATOM 654 CG ASP A 51 -2.976 -5.645 3.976 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.585 -4.568 3.795 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.002 -6.640 3.220 1.00 0.00 O ATOM 0 H ASP A 51 -4.804 -5.253 5.802 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.262 -5.330 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.156 -5.284 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.935 -6.803 5.459 1.00 0.00 H new ATOM 661 N PHE A 52 -3.876 -2.930 6.787 1.00 0.00 N ATOM 662 CA PHE A 52 -4.007 -1.489 6.695 1.00 0.00 C ATOM 663 C PHE A 52 -3.524 -0.843 7.986 1.00 0.00 C ATOM 664 O PHE A 52 -4.090 -1.080 9.051 1.00 0.00 O ATOM 665 CB PHE A 52 -5.464 -1.128 6.421 1.00 0.00 C ATOM 666 CG PHE A 52 -6.167 -0.517 7.609 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.698 0.682 8.159 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.287 -1.150 8.162 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.349 1.248 9.262 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.938 -0.584 9.264 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.469 0.615 9.814 1.00 0.00 C ATOM 0 H PHE A 52 -4.637 -3.390 7.287 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.394 -1.116 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.506 -0.429 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.001 -2.025 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.834 1.170 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.648 -2.075 7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.987 2.173 9.687 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.802 -1.072 9.690 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.971 1.052 10.664 1.00 0.00 H new ATOM 681 N SER A 53 -2.474 -0.024 7.889 1.00 0.00 N ATOM 682 CA SER A 53 -1.924 0.651 9.047 1.00 0.00 C ATOM 683 C SER A 53 -2.190 2.147 8.948 1.00 0.00 C ATOM 684 O SER A 53 -2.822 2.606 7.999 1.00 0.00 O ATOM 685 CB SER A 53 -0.426 0.374 9.132 1.00 0.00 C ATOM 686 OG SER A 53 0.098 0.974 10.296 1.00 0.00 O ATOM 0 H SER A 53 -1.993 0.182 7.014 1.00 0.00 H new ATOM 0 HA SER A 53 -2.402 0.276 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.245 -0.701 9.151 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.078 0.767 8.249 1.00 0.00 H new ATOM 0 HG SER A 53 1.060 0.795 10.352 1.00 0.00 H new ATOM 692 N SER A 54 -1.706 2.907 9.933 1.00 0.00 N ATOM 693 CA SER A 54 -1.893 4.344 9.950 1.00 0.00 C ATOM 694 C SER A 54 -0.695 5.012 10.610 1.00 0.00 C ATOM 695 O SER A 54 0.000 4.393 11.413 1.00 0.00 O ATOM 696 CB SER A 54 -3.180 4.680 10.698 1.00 0.00 C ATOM 697 OG SER A 54 -2.903 4.809 12.074 1.00 0.00 O ATOM 0 H SER A 54 -1.181 2.542 10.728 1.00 0.00 H new ATOM 0 HA SER A 54 -1.974 4.716 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.606 5.607 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.922 3.898 10.537 1.00 0.00 H new ATOM 0 HG SER A 54 -3.729 5.026 12.555 1.00 0.00 H new ATOM 703 N VAL A 55 -0.457 6.282 10.271 1.00 0.00 N ATOM 704 CA VAL A 55 0.652 7.027 10.832 1.00 0.00 C ATOM 705 C VAL A 55 0.493 8.506 10.509 1.00 0.00 C ATOM 706 O VAL A 55 -0.237 8.867 9.588 1.00 0.00 O ATOM 707 CB VAL A 55 1.964 6.488 10.268 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.878 6.433 8.745 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.110 7.407 10.680 1.00 0.00 C ATOM 0 H VAL A 55 -1.025 6.809 9.608 1.00 0.00 H new ATOM 0 HA VAL A 55 0.663 6.910 11.916 1.00 0.00 H new ATOM 0 HB VAL A 55 2.143 5.486 10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.815 6.048 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.059 5.777 8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.699 7.435 8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.047 7.023 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.931 8.409 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.171 7.447 11.768 1.00 0.00 H new ATOM 719 N THR A 56 1.180 9.363 11.268 1.00 0.00 N ATOM 720 CA THR A 56 1.109 10.794 11.055 1.00 0.00 C ATOM 721 C THR A 56 2.512 11.367 10.911 1.00 0.00 C ATOM 722 O THR A 56 3.382 11.102 11.738 1.00 0.00 O ATOM 723 CB THR A 56 0.377 11.446 12.225 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.875 10.822 12.402 1.00 0.00 O ATOM 725 CG2 THR A 56 0.168 12.929 11.931 1.00 0.00 C ATOM 0 H THR A 56 1.791 9.081 12.035 1.00 0.00 H new ATOM 0 HA THR A 56 0.559 11.001 10.137 1.00 0.00 H new ATOM 0 HB THR A 56 0.971 11.335 13.132 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.345 11.239 13.154 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.355 13.395 12.766 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.135 13.412 11.793 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.426 13.040 11.024 1.00 0.00 H new ATOM 733 N ALA A 57 2.730 12.156 9.856 1.00 0.00 N ATOM 734 CA ALA A 57 4.023 12.761 9.608 1.00 0.00 C ATOM 735 C ALA A 57 4.376 13.706 10.747 1.00 0.00 C ATOM 736 O ALA A 57 3.491 14.278 11.379 1.00 0.00 O ATOM 737 CB ALA A 57 3.987 13.506 8.277 1.00 0.00 C ATOM 0 H ALA A 57 2.019 12.386 9.162 1.00 0.00 H new ATOM 0 HA ALA A 57 4.788 11.987 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.959 13.962 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.753 12.806 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.223 14.283 8.315 1.00 0.00 H new ATOM 743 N ASP A 58 5.675 13.870 11.007 1.00 0.00 N ATOM 744 CA ASP A 58 6.138 14.742 12.068 1.00 0.00 C ATOM 745 C ASP A 58 6.360 16.145 11.520 1.00 0.00 C ATOM 746 O ASP A 58 5.994 16.434 10.383 1.00 0.00 O ATOM 747 CB ASP A 58 7.428 14.182 12.660 1.00 0.00 C ATOM 748 CG ASP A 58 8.531 14.133 11.612 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.279 14.643 10.499 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.605 13.586 11.944 1.00 0.00 O ATOM 0 H ASP A 58 6.421 13.405 10.490 1.00 0.00 H new ATOM 0 HA ASP A 58 5.386 14.795 12.856 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.746 14.800 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.248 13.181 13.052 1.00 0.00 H new ATOM 755 N ALA A 59 6.961 17.017 12.333 1.00 0.00 N ATOM 756 CA ALA A 59 7.227 18.382 11.927 1.00 0.00 C ATOM 757 C ALA A 59 8.161 18.390 10.725 1.00 0.00 C ATOM 758 O ALA A 59 8.115 19.307 9.907 1.00 0.00 O ATOM 759 CB ALA A 59 7.842 19.148 13.095 1.00 0.00 C ATOM 0 H ALA A 59 7.270 16.792 13.279 1.00 0.00 H new ATOM 0 HA ALA A 59 6.295 18.869 11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.043 20.175 12.791 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.149 19.147 13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.775 18.669 13.393 1.00 0.00 H new ATOM 765 N ASN A 60 9.010 17.365 10.619 1.00 0.00 N ATOM 766 CA ASN A 60 9.947 17.262 9.518 1.00 0.00 C ATOM 767 C ASN A 60 9.217 16.829 8.255 1.00 0.00 C ATOM 768 O ASN A 60 9.798 16.820 7.172 1.00 0.00 O ATOM 769 CB ASN A 60 11.043 16.263 9.879 1.00 0.00 C ATOM 770 CG ASN A 60 12.366 16.654 9.236 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.651 17.838 9.069 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.176 15.655 8.877 1.00 0.00 N ATOM 0 H ASN A 60 9.061 16.597 11.288 1.00 0.00 H new ATOM 0 HA ASN A 60 10.404 18.234 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.159 16.220 10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.754 15.265 9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.076 15.859 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.894 14.688 9.037 1.00 0.00 H new ATOM 779 N GLY A 61 7.939 16.468 8.395 1.00 0.00 N ATOM 780 CA GLY A 61 7.142 16.038 7.264 1.00 0.00 C ATOM 781 C GLY A 61 7.491 14.605 6.887 1.00 0.00 C ATOM 782 O GLY A 61 7.065 14.112 5.845 1.00 0.00 O ATOM 0 H GLY A 61 7.441 16.468 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.082 16.109 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.318 16.698 6.414 1.00 0.00 H new ATOM 786 N SER A 62 8.270 13.936 7.740 1.00 0.00 N ATOM 787 CA SER A 62 8.671 12.565 7.493 1.00 0.00 C ATOM 788 C SER A 62 7.832 11.621 8.341 1.00 0.00 C ATOM 789 O SER A 62 7.582 11.891 9.514 1.00 0.00 O ATOM 790 CB SER A 62 10.155 12.405 7.812 1.00 0.00 C ATOM 791 OG SER A 62 10.370 12.659 9.183 1.00 0.00 O ATOM 0 H SER A 62 8.632 14.330 8.608 1.00 0.00 H new ATOM 0 HA SER A 62 8.510 12.318 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.485 11.397 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.745 13.093 7.207 1.00 0.00 H new ATOM 0 HG SER A 62 11.322 12.555 9.390 1.00 0.00 H new ATOM 797 N ALA A 63 7.396 10.508 7.745 1.00 0.00 N ATOM 798 CA ALA A 63 6.588 9.531 8.446 1.00 0.00 C ATOM 799 C ALA A 63 7.299 8.185 8.453 1.00 0.00 C ATOM 800 O ALA A 63 8.244 7.976 7.697 1.00 0.00 O ATOM 801 CB ALA A 63 5.225 9.419 7.770 1.00 0.00 C ATOM 0 H ALA A 63 7.595 10.269 6.774 1.00 0.00 H new ATOM 0 HA ALA A 63 6.441 9.848 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.617 8.684 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.726 10.388 7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.357 9.105 6.735 1.00 0.00 H new ATOM 807 N SER A 64 6.841 7.271 9.311 1.00 0.00 N ATOM 808 CA SER A 64 7.433 5.952 9.411 1.00 0.00 C ATOM 809 C SER A 64 6.378 4.941 9.835 1.00 0.00 C ATOM 810 O SER A 64 5.719 5.120 10.857 1.00 0.00 O ATOM 811 CB SER A 64 8.583 5.987 10.413 1.00 0.00 C ATOM 812 OG SER A 64 8.073 5.826 11.718 1.00 0.00 O ATOM 0 H SER A 64 6.058 7.429 9.946 1.00 0.00 H new ATOM 0 HA SER A 64 7.824 5.651 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.298 5.195 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.120 6.933 10.335 1.00 0.00 H new ATOM 0 HG SER A 64 7.094 5.814 11.687 1.00 0.00 H new ATOM 818 N THR A 65 6.218 3.875 9.047 1.00 0.00 N ATOM 819 CA THR A 65 5.245 2.845 9.349 1.00 0.00 C ATOM 820 C THR A 65 5.681 1.523 8.733 1.00 0.00 C ATOM 821 O THR A 65 6.552 1.497 7.866 1.00 0.00 O ATOM 822 CB THR A 65 3.878 3.265 8.816 1.00 0.00 C ATOM 823 OG1 THR A 65 2.986 3.439 9.894 1.00 0.00 O ATOM 824 CG2 THR A 65 3.342 2.184 7.882 1.00 0.00 C ATOM 0 H THR A 65 6.755 3.711 8.196 1.00 0.00 H new ATOM 0 HA THR A 65 5.175 2.713 10.429 1.00 0.00 H new ATOM 0 HB THR A 65 3.974 4.203 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.104 3.695 9.551 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.366 2.484 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.031 2.049 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.246 1.246 8.429 1.00 0.00 H new ATOM 832 N SER A 66 5.071 0.424 9.184 1.00 0.00 N ATOM 833 CA SER A 66 5.398 -0.892 8.675 1.00 0.00 C ATOM 834 C SER A 66 4.159 -1.533 8.066 1.00 0.00 C ATOM 835 O SER A 66 3.122 -1.629 8.720 1.00 0.00 O ATOM 836 CB SER A 66 5.950 -1.752 9.808 1.00 0.00 C ATOM 837 OG SER A 66 6.321 -0.925 10.888 1.00 0.00 O ATOM 0 H SER A 66 4.347 0.429 9.903 1.00 0.00 H new ATOM 0 HA SER A 66 6.157 -0.807 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.199 -2.474 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.811 -2.322 9.460 1.00 0.00 H new ATOM 0 HG SER A 66 6.674 -1.477 11.617 1.00 0.00 H new ATOM 843 N LEU A 67 4.268 -1.973 6.810 1.00 0.00 N ATOM 844 CA LEU A 67 3.159 -2.602 6.121 1.00 0.00 C ATOM 845 C LEU A 67 3.370 -4.109 6.070 1.00 0.00 C ATOM 846 O LEU A 67 4.347 -4.582 5.494 1.00 0.00 O ATOM 847 CB LEU A 67 3.043 -2.026 4.713 1.00 0.00 C ATOM 848 CG LEU A 67 1.576 -1.992 4.296 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.077 -3.417 4.071 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.750 -1.332 5.397 1.00 0.00 C ATOM 0 H LEU A 67 5.121 -1.901 6.255 1.00 0.00 H new ATOM 0 HA LEU A 67 2.232 -2.403 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.464 -1.021 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.617 -2.632 4.012 1.00 0.00 H new ATOM 0 HG LEU A 67 1.474 -1.422 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.029 -3.393 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.667 -3.889 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.179 -3.988 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.298 -1.307 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.852 -1.902 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.106 -0.314 5.558 1.00 0.00 H new ATOM 862 N THR A 68 2.451 -4.863 6.677 1.00 0.00 N ATOM 863 CA THR A 68 2.544 -6.309 6.695 1.00 0.00 C ATOM 864 C THR A 68 2.325 -6.860 5.294 1.00 0.00 C ATOM 865 O THR A 68 1.249 -6.701 4.721 1.00 0.00 O ATOM 866 CB THR A 68 1.509 -6.872 7.665 1.00 0.00 C ATOM 867 OG1 THR A 68 1.238 -8.216 7.335 1.00 0.00 O ATOM 868 CG2 THR A 68 0.223 -6.055 7.568 1.00 0.00 C ATOM 0 H THR A 68 1.636 -4.487 7.161 1.00 0.00 H new ATOM 0 HA THR A 68 3.538 -6.608 7.029 1.00 0.00 H new ATOM 0 HB THR A 68 1.897 -6.819 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.463 -8.791 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.516 -6.457 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.432 -5.016 7.823 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.166 -6.108 6.551 1.00 0.00 H new ATOM 876 N VAL A 69 3.351 -7.512 4.741 1.00 0.00 N ATOM 877 CA VAL A 69 3.268 -8.083 3.412 1.00 0.00 C ATOM 878 C VAL A 69 2.392 -9.327 3.441 1.00 0.00 C ATOM 879 O VAL A 69 2.667 -10.265 4.186 1.00 0.00 O ATOM 880 CB VAL A 69 4.671 -8.421 2.916 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.790 -9.928 2.712 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.927 -7.707 1.592 1.00 0.00 C ATOM 0 H VAL A 69 4.249 -7.653 5.203 1.00 0.00 H new ATOM 0 HA VAL A 69 2.820 -7.362 2.729 1.00 0.00 H new ATOM 0 HB VAL A 69 5.405 -8.096 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.792 -10.169 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.607 -10.439 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.056 -10.254 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.929 -7.948 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.193 -8.033 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.842 -6.630 1.737 1.00 0.00 H new ATOM 892 N ARG A 70 1.335 -9.334 2.626 1.00 0.00 N ATOM 893 CA ARG A 70 0.425 -10.460 2.562 1.00 0.00 C ATOM 894 C ARG A 70 0.443 -11.058 1.163 1.00 0.00 C ATOM 895 O ARG A 70 0.361 -10.333 0.174 1.00 0.00 O ATOM 896 CB ARG A 70 -0.981 -9.998 2.934 1.00 0.00 C ATOM 897 CG ARG A 70 -1.246 -10.309 4.405 1.00 0.00 C ATOM 898 CD ARG A 70 0.016 -10.035 5.218 1.00 0.00 C ATOM 899 NE ARG A 70 -0.315 -9.674 6.597 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.542 -10.587 7.551 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.467 -11.893 7.261 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.843 -10.194 8.797 1.00 0.00 N ATOM 0 H ARG A 70 1.095 -8.564 2.001 1.00 0.00 H new ATOM 0 HA ARG A 70 0.740 -11.228 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.084 -8.928 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.718 -10.499 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.069 -9.698 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.546 -11.351 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.655 -10.918 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.584 -9.229 4.754 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.375 -8.686 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.237 -12.193 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.640 -12.588 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.899 -9.200 9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.016 -10.889 9.523 1.00 0.00 H new ATOM 916 N ARG A 71 0.550 -12.387 1.082 1.00 0.00 N ATOM 917 CA ARG A 71 0.578 -13.075 -0.193 1.00 0.00 C ATOM 918 C ARG A 71 -0.778 -12.955 -0.874 1.00 0.00 C ATOM 919 O ARG A 71 -0.851 -12.750 -2.084 1.00 0.00 O ATOM 920 CB ARG A 71 0.943 -14.540 0.029 1.00 0.00 C ATOM 921 CG ARG A 71 2.032 -14.948 -0.959 1.00 0.00 C ATOM 922 CD ARG A 71 2.029 -16.466 -1.122 1.00 0.00 C ATOM 923 NE ARG A 71 2.908 -16.878 -2.216 1.00 0.00 N ATOM 924 CZ ARG A 71 3.162 -18.164 -2.497 1.00 0.00 C ATOM 925 NH1 ARG A 71 2.600 -19.134 -1.763 1.00 0.00 N ATOM 926 NH2 ARG A 71 3.978 -18.479 -3.513 1.00 0.00 N ATOM 0 H ARG A 71 0.618 -13.002 1.893 1.00 0.00 H new ATOM 0 HA ARG A 71 1.329 -12.620 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.290 -14.688 1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.063 -15.169 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.862 -14.468 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.006 -14.612 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.354 -16.936 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.014 -16.812 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 71 3.346 -16.157 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.979 -18.894 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.793 -20.112 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.405 -17.740 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.172 -19.457 -3.727 1.00 0.00 H new ATOM 940 N SER A 72 -1.853 -13.083 -0.094 1.00 0.00 N ATOM 941 CA SER A 72 -3.198 -12.987 -0.626 1.00 0.00 C ATOM 942 C SER A 72 -4.162 -12.579 0.479 1.00 0.00 C ATOM 943 O SER A 72 -3.864 -12.746 1.660 1.00 0.00 O ATOM 944 CB SER A 72 -3.603 -14.329 -1.229 1.00 0.00 C ATOM 945 OG SER A 72 -2.631 -14.735 -2.166 1.00 0.00 O ATOM 0 H SER A 72 -1.809 -13.254 0.911 1.00 0.00 H new ATOM 0 HA SER A 72 -3.231 -12.228 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.702 -15.078 -0.443 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.576 -14.244 -1.712 1.00 0.00 H new ATOM 0 HG SER A 72 -3.007 -15.428 -2.748 1.00 0.00 H new ATOM 951 N PHE A 73 -5.322 -12.043 0.094 1.00 0.00 N ATOM 952 CA PHE A 73 -6.322 -11.617 1.052 1.00 0.00 C ATOM 953 C PHE A 73 -7.557 -11.110 0.320 1.00 0.00 C ATOM 954 O PHE A 73 -7.579 -11.067 -0.908 1.00 0.00 O ATOM 955 CB PHE A 73 -5.736 -10.527 1.945 1.00 0.00 C ATOM 956 CG PHE A 73 -4.924 -9.501 1.191 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.438 -8.921 0.025 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.656 -9.133 1.655 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.685 -7.972 -0.676 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.902 -8.184 0.954 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.417 -7.603 -0.211 1.00 0.00 C ATOM 0 H PHE A 73 -5.585 -11.897 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.617 -12.461 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.548 -10.022 2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.106 -10.990 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.416 -9.206 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.259 -9.581 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.082 -7.525 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.923 -7.900 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.836 -6.870 -0.751 1.00 0.00 H new ATOM 971 N GLU A 74 -8.586 -10.724 1.078 1.00 0.00 N ATOM 972 CA GLU A 74 -9.815 -10.222 0.496 1.00 0.00 C ATOM 973 C GLU A 74 -9.547 -8.914 -0.235 1.00 0.00 C ATOM 974 O GLU A 74 -9.068 -7.953 0.363 1.00 0.00 O ATOM 975 CB GLU A 74 -10.853 -10.024 1.597 1.00 0.00 C ATOM 976 CG GLU A 74 -10.209 -9.310 2.781 1.00 0.00 C ATOM 977 CD GLU A 74 -10.221 -10.194 4.020 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.188 -11.429 3.836 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.261 -9.617 5.128 1.00 0.00 O ATOM 0 H GLU A 74 -8.584 -10.753 2.098 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.201 -10.943 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.692 -9.440 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.252 -10.988 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.183 -9.039 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.743 -8.382 2.986 1.00 0.00 H new ATOM 986 N GLY A 75 -9.858 -8.879 -1.533 1.00 0.00 N ATOM 987 CA GLY A 75 -9.649 -7.689 -2.333 1.00 0.00 C ATOM 988 C GLY A 75 -10.785 -6.700 -2.115 1.00 0.00 C ATOM 989 O GLY A 75 -11.766 -6.704 -2.856 1.00 0.00 O ATOM 0 H GLY A 75 -10.255 -9.667 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.699 -7.226 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.589 -7.957 -3.388 1.00 0.00 H new ATOM 993 N PHE A 76 -10.652 -5.850 -1.094 1.00 0.00 N ATOM 994 CA PHE A 76 -11.666 -4.863 -0.785 1.00 0.00 C ATOM 995 C PHE A 76 -11.475 -3.634 -1.663 1.00 0.00 C ATOM 996 O PHE A 76 -10.622 -2.795 -1.383 1.00 0.00 O ATOM 997 CB PHE A 76 -11.580 -4.491 0.692 1.00 0.00 C ATOM 998 CG PHE A 76 -12.728 -5.024 1.516 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.041 -4.647 1.212 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.479 -5.892 2.585 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.106 -5.139 1.977 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.543 -6.384 3.350 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.856 -6.007 3.046 1.00 0.00 C ATOM 0 H PHE A 76 -9.845 -5.833 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.654 -5.277 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.643 -4.871 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.551 -3.405 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.233 -3.977 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.466 -6.182 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.119 -4.849 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.351 -7.054 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.677 -6.386 3.637 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.272 -3.530 -2.729 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.188 -2.407 -3.641 1.00 0.00 C ATOM 1015 C LEU A 77 -12.317 -1.102 -2.867 1.00 0.00 C ATOM 1016 O LEU A 77 -13.065 -1.026 -1.895 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.287 -2.522 -4.693 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.748 -1.126 -5.102 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.645 -0.439 -5.901 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.005 -1.237 -5.960 1.00 0.00 C ATOM 0 H LEU A 77 -12.984 -4.218 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.221 -2.414 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.917 -3.064 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.127 -3.092 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.968 -0.540 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.974 0.558 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.747 -0.359 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.424 -1.024 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.335 -0.240 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.786 -1.823 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.793 -1.727 -5.389 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.585 -0.073 -3.301 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.623 1.219 -2.648 1.00 0.00 C ATOM 1034 C PHE A 78 -13.068 1.630 -2.400 1.00 0.00 C ATOM 1035 O PHE A 78 -13.400 2.121 -1.323 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.910 2.249 -3.519 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.515 2.578 -3.043 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.505 1.610 -3.112 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.231 3.850 -2.530 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.213 1.914 -2.669 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.939 4.154 -2.087 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.929 3.186 -2.157 1.00 0.00 C ATOM 0 H PHE A 78 -10.960 -0.119 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.113 1.160 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.858 1.875 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.502 3.164 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.723 0.629 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.010 4.597 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.435 1.167 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.721 5.135 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.931 3.421 -1.816 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.928 1.428 -3.401 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.330 1.778 -3.286 1.00 0.00 C ATOM 1054 C ASP A 79 -15.948 1.047 -2.104 1.00 0.00 C ATOM 1055 O ASP A 79 -17.019 1.421 -1.631 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.050 1.418 -4.582 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.187 2.391 -4.860 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.371 3.303 -4.026 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.852 2.204 -5.902 1.00 0.00 O ATOM 0 H ASP A 79 -13.669 1.022 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.430 2.850 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.343 1.432 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.443 0.403 -4.515 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.272 0.000 -1.625 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.763 -0.774 -0.502 1.00 0.00 C ATOM 1066 C GLY A 80 -16.553 -1.978 -0.996 1.00 0.00 C ATOM 1067 O GLY A 80 -17.465 -2.445 -0.318 1.00 0.00 O ATOM 0 H GLY A 80 -14.382 -0.325 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.927 -1.107 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.395 -0.150 0.130 1.00 0.00 H new ATOM 1071 N THR A 81 -16.201 -2.479 -2.182 1.00 0.00 N ATOM 1072 CA THR A 81 -16.879 -3.624 -2.755 1.00 0.00 C ATOM 1073 C THR A 81 -15.967 -4.842 -2.714 1.00 0.00 C ATOM 1074 O THR A 81 -14.875 -4.823 -3.279 1.00 0.00 O ATOM 1075 CB THR A 81 -17.289 -3.304 -4.190 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.555 -2.682 -4.189 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.358 -4.596 -5.000 1.00 0.00 C ATOM 0 H THR A 81 -15.448 -2.103 -2.758 1.00 0.00 H new ATOM 0 HA THR A 81 -17.774 -3.848 -2.175 1.00 0.00 H new ATOM 0 HB THR A 81 -16.555 -2.634 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.818 -2.475 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.651 -4.368 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.380 -5.078 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.092 -5.266 -4.554 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.418 -5.903 -2.043 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.644 -7.123 -1.930 1.00 0.00 C ATOM 1087 C ARG A 82 -15.433 -7.729 -3.310 1.00 0.00 C ATOM 1088 O ARG A 82 -16.250 -8.521 -3.774 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.371 -8.103 -1.015 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.752 -8.406 -1.588 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.741 -8.623 -0.447 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.781 -9.579 -0.827 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.920 -9.727 -0.136 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.143 -8.980 0.954 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -21.835 -10.621 -0.535 1.00 0.00 N ATOM 0 H ARG A 82 -17.321 -5.934 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.668 -6.900 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.795 -9.024 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.465 -7.681 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.084 -7.582 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.709 -9.294 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.211 -8.988 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.199 -7.673 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.633 -10.158 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.446 -8.299 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.009 -9.092 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.665 -11.189 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.702 -10.733 -0.009 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.331 -7.357 -3.967 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.023 -7.869 -5.287 1.00 0.00 C ATOM 1111 C TRP A 83 -13.814 -9.375 -5.222 1.00 0.00 C ATOM 1112 O TRP A 83 -14.509 -10.130 -5.898 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.775 -7.173 -5.822 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.776 -6.925 -7.297 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.164 -7.699 -8.219 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.408 -5.840 -8.043 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.372 -7.172 -9.476 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.135 -6.023 -9.426 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.185 -4.721 -7.693 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.604 -5.145 -10.407 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.660 -3.834 -8.670 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.373 -4.043 -10.024 1.00 0.00 C ATOM 0 H TRP A 83 -13.642 -6.702 -3.598 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.855 -7.667 -5.962 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.660 -6.219 -5.308 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.904 -7.777 -5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.598 -8.594 -8.005 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.007 -7.581 -10.336 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.420 -4.542 -6.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.375 -5.316 -11.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.253 -2.981 -8.375 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.744 -3.355 -10.769 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.852 -9.812 -4.406 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.561 -11.225 -4.261 1.00 0.00 C ATOM 1135 C GLY A 84 -11.137 -11.421 -3.759 1.00 0.00 C ATOM 1136 O GLY A 84 -10.290 -10.547 -3.930 1.00 0.00 O ATOM 0 H GLY A 84 -12.265 -9.200 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.266 -11.679 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.689 -11.730 -5.218 1.00 0.00 H new ATOM 1140 N THR A 85 -10.874 -12.573 -3.138 1.00 0.00 N ATOM 1141 CA THR A 85 -9.556 -12.874 -2.618 1.00 0.00 C ATOM 1142 C THR A 85 -8.517 -12.729 -3.721 1.00 0.00 C ATOM 1143 O THR A 85 -8.478 -13.533 -4.650 1.00 0.00 O ATOM 1144 CB THR A 85 -9.546 -14.290 -2.049 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.797 -14.569 -1.462 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.451 -14.406 -0.992 1.00 0.00 C ATOM 0 H THR A 85 -11.564 -13.309 -2.987 1.00 0.00 H new ATOM 0 HA THR A 85 -9.308 -12.173 -1.821 1.00 0.00 H new ATOM 0 HB THR A 85 -9.354 -15.003 -2.851 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.792 -15.479 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.444 -15.417 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.483 -14.190 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.643 -13.694 -0.190 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.675 -11.699 -3.616 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.641 -11.452 -4.602 1.00 0.00 C ATOM 1156 C VAL A 86 -5.378 -12.213 -4.224 1.00 0.00 C ATOM 1157 O VAL A 86 -5.157 -12.508 -3.052 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.366 -9.954 -4.686 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.017 -9.721 -5.359 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.465 -9.281 -5.503 1.00 0.00 C ATOM 0 H VAL A 86 -7.696 -11.024 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.973 -11.801 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.348 -9.531 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.820 -8.651 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.232 -10.202 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.034 -10.144 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.269 -8.210 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.483 -9.704 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.429 -9.447 -5.022 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.548 -12.528 -5.221 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.314 -13.251 -4.988 1.00 0.00 C ATOM 1172 C ASP A 87 -2.129 -12.400 -5.420 1.00 0.00 C ATOM 1173 O ASP A 87 -1.755 -12.402 -6.590 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.344 -14.568 -5.759 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.944 -15.681 -4.912 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.217 -15.405 -3.723 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.120 -16.786 -5.468 1.00 0.00 O ATOM 0 H ASP A 87 -4.717 -12.289 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.211 -13.470 -3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.927 -14.446 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.333 -14.840 -6.061 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.538 -11.670 -4.470 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.401 -10.819 -4.756 1.00 0.00 C ATOM 1184 C CYS A 88 0.673 -11.620 -5.480 1.00 0.00 C ATOM 1185 O CYS A 88 1.443 -11.066 -6.261 1.00 0.00 O ATOM 1186 CB CYS A 88 0.142 -10.242 -3.452 1.00 0.00 C ATOM 1187 SG CYS A 88 -1.007 -9.127 -2.607 1.00 0.00 S ATOM 0 H CYS A 88 -1.837 -11.658 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.710 -9.997 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.396 -11.063 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.067 -9.704 -3.662 1.00 0.00 H new ATOM 1192 N THR A 89 0.723 -12.928 -5.219 1.00 0.00 N ATOM 1193 CA THR A 89 1.701 -13.793 -5.847 1.00 0.00 C ATOM 1194 C THR A 89 1.294 -14.077 -7.286 1.00 0.00 C ATOM 1195 O THR A 89 2.002 -14.774 -8.009 1.00 0.00 O ATOM 1196 CB THR A 89 1.817 -15.091 -5.053 1.00 0.00 C ATOM 1197 OG1 THR A 89 2.591 -16.018 -5.779 1.00 0.00 O ATOM 1198 CG2 THR A 89 0.424 -15.667 -4.814 1.00 0.00 C ATOM 0 H THR A 89 0.092 -13.404 -4.574 1.00 0.00 H new ATOM 0 HA THR A 89 2.673 -13.299 -5.856 1.00 0.00 H new ATOM 0 HB THR A 89 2.296 -14.890 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.640 -15.740 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.506 -16.594 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.175 -14.950 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.056 -15.869 -5.772 1.00 0.00 H new ATOM 1206 N THR A 90 0.148 -13.532 -7.702 1.00 0.00 N ATOM 1207 CA THR A 90 -0.343 -13.730 -9.051 1.00 0.00 C ATOM 1208 C THR A 90 -0.364 -12.403 -9.795 1.00 0.00 C ATOM 1209 O THR A 90 -0.256 -12.373 -11.019 1.00 0.00 O ATOM 1210 CB THR A 90 -1.740 -14.342 -8.998 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.636 -15.733 -8.788 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.462 -14.079 -10.317 1.00 0.00 C ATOM 0 H THR A 90 -0.452 -12.951 -7.116 1.00 0.00 H new ATOM 0 HA THR A 90 0.319 -14.411 -9.585 1.00 0.00 H new ATOM 0 HB THR A 90 -2.303 -13.892 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.533 -16.126 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.460 -14.516 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.543 -13.004 -10.480 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.900 -14.529 -11.135 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.504 -11.303 -9.052 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.539 -9.980 -9.642 1.00 0.00 C ATOM 1222 C ALA A 91 0.461 -9.075 -8.938 1.00 0.00 C ATOM 1223 O ALA A 91 1.319 -9.551 -8.198 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.952 -9.413 -9.533 1.00 0.00 C ATOM 0 H ALA A 91 -0.595 -11.312 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.266 -10.040 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.980 -8.418 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.648 -10.065 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.239 -9.351 -8.483 1.00 0.00 H new ATOM 1230 N ALA A 92 0.349 -7.765 -9.170 1.00 0.00 N ATOM 1231 CA ALA A 92 1.243 -6.801 -8.560 1.00 0.00 C ATOM 1232 C ALA A 92 0.541 -6.110 -7.400 1.00 0.00 C ATOM 1233 O ALA A 92 -0.522 -5.519 -7.578 1.00 0.00 O ATOM 1234 CB ALA A 92 1.685 -5.784 -9.608 1.00 0.00 C ATOM 0 H ALA A 92 -0.358 -7.355 -9.780 1.00 0.00 H new ATOM 0 HA ALA A 92 2.125 -7.311 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.357 -5.059 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.203 -6.298 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.811 -5.268 -10.006 1.00 0.00 H new ATOM 1240 N CYS A 93 1.139 -6.185 -6.209 1.00 0.00 N ATOM 1241 CA CYS A 93 0.570 -5.568 -5.027 1.00 0.00 C ATOM 1242 C CYS A 93 1.339 -4.299 -4.688 1.00 0.00 C ATOM 1243 O CYS A 93 2.499 -4.154 -5.067 1.00 0.00 O ATOM 1244 CB CYS A 93 0.618 -6.556 -3.865 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.986 -7.286 -3.454 1.00 0.00 S ATOM 0 H CYS A 93 2.021 -6.671 -6.046 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.470 -5.300 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.318 -7.355 -4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 93 1.011 -6.047 -2.985 1.00 0.00 H new ATOM 1250 N GLN A 94 0.690 -3.378 -3.972 1.00 0.00 N ATOM 1251 CA GLN A 94 1.315 -2.128 -3.589 1.00 0.00 C ATOM 1252 C GLN A 94 0.802 -1.692 -2.223 1.00 0.00 C ATOM 1253 O GLN A 94 -0.298 -2.066 -1.823 1.00 0.00 O ATOM 1254 CB GLN A 94 1.015 -1.067 -4.643 1.00 0.00 C ATOM 1255 CG GLN A 94 2.036 -1.168 -5.773 1.00 0.00 C ATOM 1256 CD GLN A 94 1.348 -1.151 -7.130 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.780 -2.156 -7.553 1.00 0.00 O ATOM 1258 NE2 GLN A 94 1.400 -0.005 -7.813 1.00 0.00 N ATOM 0 H GLN A 94 -0.272 -3.483 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 94 2.395 -2.261 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.008 -1.204 -5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.050 -0.074 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.740 -0.339 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.614 -2.086 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.884 0.802 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.956 0.064 -8.729 1.00 0.00 H new ATOM 1267 N VAL A 95 1.603 -0.898 -1.509 1.00 0.00 N ATOM 1268 CA VAL A 95 1.228 -0.414 -0.196 1.00 0.00 C ATOM 1269 C VAL A 95 1.240 1.107 -0.184 1.00 0.00 C ATOM 1270 O VAL A 95 1.858 1.732 -1.043 1.00 0.00 O ATOM 1271 CB VAL A 95 2.194 -0.971 0.845 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.152 -0.100 2.097 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.788 -2.398 1.205 1.00 0.00 C ATOM 0 H VAL A 95 2.518 -0.580 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 95 0.220 -0.751 0.046 1.00 0.00 H new ATOM 0 HB VAL A 95 3.205 -0.972 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.842 -0.498 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.442 0.919 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.141 -0.098 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.478 -2.796 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.777 -2.397 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.819 -3.021 0.311 1.00 0.00 H new ATOM 1283 N GLY A 96 0.555 1.705 0.793 1.00 0.00 N ATOM 1284 CA GLY A 96 0.494 3.149 0.907 1.00 0.00 C ATOM 1285 C GLY A 96 -0.367 3.549 2.097 1.00 0.00 C ATOM 1286 O GLY A 96 -1.014 2.703 2.710 1.00 0.00 O ATOM 0 H GLY A 96 0.036 1.203 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.499 3.554 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.083 3.576 -0.008 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.374 4.844 2.422 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.154 5.349 3.534 1.00 0.00 C ATOM 1292 C LEU A 97 -2.025 6.508 3.070 1.00 0.00 C ATOM 1293 O LEU A 97 -1.522 7.482 2.515 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.215 5.793 4.652 1.00 0.00 C ATOM 1295 CG LEU A 97 0.763 6.832 4.112 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.906 7.969 5.120 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.124 6.180 3.885 1.00 0.00 C ATOM 0 H LEU A 97 0.157 5.558 1.923 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.805 4.561 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.789 6.213 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.330 4.935 5.046 1.00 0.00 H new ATOM 0 HG LEU A 97 0.388 7.228 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.605 8.711 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.066 8.435 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.281 7.573 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.823 6.922 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.499 5.784 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.023 5.368 3.165 1.00 0.00 H new ATOM 1309 N SER A 98 -3.336 6.400 3.299 1.00 0.00 N ATOM 1310 CA SER A 98 -4.267 7.438 2.905 1.00 0.00 C ATOM 1311 C SER A 98 -4.610 8.308 4.106 1.00 0.00 C ATOM 1312 O SER A 98 -4.559 7.846 5.244 1.00 0.00 O ATOM 1313 CB SER A 98 -5.525 6.797 2.325 1.00 0.00 C ATOM 1314 OG SER A 98 -6.265 6.192 3.361 1.00 0.00 O ATOM 0 H SER A 98 -3.769 5.598 3.757 1.00 0.00 H new ATOM 0 HA SER A 98 -3.811 8.070 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.132 7.551 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.255 6.054 1.575 1.00 0.00 H new ATOM 0 HG SER A 98 -6.793 6.874 3.827 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.962 9.570 3.850 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.310 10.496 4.909 1.00 0.00 C ATOM 1322 C ASP A 99 -6.773 10.896 4.782 1.00 0.00 C ATOM 1323 O ASP A 99 -7.538 10.242 4.076 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.405 11.722 4.830 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.033 12.806 3.965 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.902 12.690 2.727 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.631 13.729 4.558 1.00 0.00 O ATOM 0 H ASP A 99 -5.011 9.967 2.912 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.167 10.018 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.224 12.110 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.437 11.438 4.418 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.161 11.973 5.468 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.528 12.452 5.429 1.00 0.00 C ATOM 1334 C ALA A 100 -8.886 12.876 4.012 1.00 0.00 C ATOM 1335 O ALA A 100 -9.927 12.484 3.489 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.684 13.621 6.398 1.00 0.00 C ATOM 0 H ALA A 100 -6.539 12.526 6.057 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.206 11.653 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.712 13.982 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.443 13.291 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.008 14.426 6.109 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.019 13.680 3.390 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.248 14.152 2.040 1.00 0.00 C ATOM 1344 C ALA A 101 -8.086 13.002 1.057 1.00 0.00 C ATOM 1345 O ALA A 101 -8.652 13.031 -0.034 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.267 15.277 1.723 1.00 0.00 C ATOM 0 H ALA A 101 -7.151 14.013 3.810 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.264 14.538 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.438 15.633 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.415 16.097 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.246 14.905 1.810 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.311 11.986 1.444 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.082 10.836 0.592 1.00 0.00 C ATOM 1354 C GLY A 102 -5.787 11.007 -0.188 1.00 0.00 C ATOM 1355 O GLY A 102 -5.779 10.904 -1.413 1.00 0.00 O ATOM 0 H GLY A 102 -6.835 11.944 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.033 9.931 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.917 10.714 -0.098 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.689 11.269 0.525 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.396 11.452 -0.104 1.00 0.00 C ATOM 1361 C ASN A 103 -2.349 10.605 0.605 1.00 0.00 C ATOM 1362 O ASN A 103 -2.645 9.961 1.610 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.016 12.929 -0.061 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.069 13.213 1.096 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.990 13.766 0.895 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.475 12.834 2.309 1.00 0.00 N ATOM 0 H ASN A 103 -4.679 11.358 1.541 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.446 11.132 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.544 13.215 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.915 13.537 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.880 13.000 3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.380 12.378 2.425 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.122 10.607 0.081 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.042 9.840 0.669 1.00 0.00 C ATOM 1375 C GLY A 104 1.233 10.016 -0.143 1.00 0.00 C ATOM 1376 O GLY A 104 1.273 10.815 -1.076 1.00 0.00 O ATOM 0 H GLY A 104 -0.859 11.135 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.125 10.163 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.314 8.785 0.707 1.00 0.00 H new ATOM 1380 N PRO A 105 2.278 9.265 0.214 1.00 0.00 N ATOM 1381 CA PRO A 105 3.567 9.295 -0.442 1.00 0.00 C ATOM 1382 C PRO A 105 3.462 8.627 -1.805 1.00 0.00 C ATOM 1383 O PRO A 105 2.562 7.823 -2.037 1.00 0.00 O ATOM 1384 CB PRO A 105 4.496 8.511 0.482 1.00 0.00 C ATOM 1385 CG PRO A 105 3.550 7.506 1.138 1.00 0.00 C ATOM 1386 CD PRO A 105 2.265 8.315 1.305 1.00 0.00 C ATOM 0 HA PRO A 105 3.933 10.308 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.293 8.015 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.974 9.157 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.397 6.626 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.934 7.153 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.385 7.673 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.240 8.822 2.270 1.00 0.00 H new ATOM 1394 N GLU A 106 4.386 8.961 -2.710 1.00 0.00 N ATOM 1395 CA GLU A 106 4.390 8.392 -4.042 1.00 0.00 C ATOM 1396 C GLU A 106 3.990 6.924 -3.981 1.00 0.00 C ATOM 1397 O GLU A 106 4.603 6.141 -3.259 1.00 0.00 O ATOM 1398 CB GLU A 106 5.777 8.549 -4.657 1.00 0.00 C ATOM 1399 CG GLU A 106 6.834 8.117 -3.645 1.00 0.00 C ATOM 1400 CD GLU A 106 7.551 6.858 -4.112 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.158 6.922 -5.203 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.478 5.855 -3.369 1.00 0.00 O ATOM 0 H GLU A 106 5.139 9.626 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 106 3.667 8.917 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.856 7.946 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.941 9.586 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.557 8.920 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.365 7.936 -2.678 1.00 0.00 H new ATOM 1409 N GLY A 107 2.958 6.552 -4.742 1.00 0.00 N ATOM 1410 CA GLY A 107 2.487 5.182 -4.768 1.00 0.00 C ATOM 1411 C GLY A 107 3.661 4.218 -4.664 1.00 0.00 C ATOM 1412 O GLY A 107 4.710 4.447 -5.262 1.00 0.00 O ATOM 0 H GLY A 107 2.438 7.188 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.794 5.013 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.936 4.997 -5.690 1.00 0.00 H new ATOM 1416 N VAL A 108 3.481 3.137 -3.901 1.00 0.00 N ATOM 1417 CA VAL A 108 4.522 2.145 -3.722 1.00 0.00 C ATOM 1418 C VAL A 108 4.238 0.937 -4.602 1.00 0.00 C ATOM 1419 O VAL A 108 3.257 0.228 -4.389 1.00 0.00 O ATOM 1420 CB VAL A 108 4.590 1.741 -2.252 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.101 0.307 -2.142 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.539 2.677 -1.510 1.00 0.00 C ATOM 0 H VAL A 108 2.617 2.934 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 108 5.485 2.564 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 108 3.596 1.808 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.150 0.018 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.423 -0.362 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.095 0.240 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.588 2.388 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.534 2.611 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.175 3.701 -1.588 1.00 0.00 H new ATOM 1432 N ALA A 109 5.102 0.702 -5.593 1.00 0.00 N ATOM 1433 CA ALA A 109 4.940 -0.417 -6.499 1.00 0.00 C ATOM 1434 C ALA A 109 5.605 -1.654 -5.914 1.00 0.00 C ATOM 1435 O ALA A 109 6.782 -1.621 -5.562 1.00 0.00 O ATOM 1436 CB ALA A 109 5.549 -0.065 -7.854 1.00 0.00 C ATOM 0 H ALA A 109 5.921 1.280 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 109 3.880 -0.629 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.428 -0.906 -8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.045 0.810 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.610 0.152 -7.731 1.00 0.00 H new ATOM 1442 N ILE A 110 4.847 -2.748 -5.809 1.00 0.00 N ATOM 1443 CA ILE A 110 5.363 -3.990 -5.269 1.00 0.00 C ATOM 1444 C ILE A 110 4.926 -5.154 -6.147 1.00 0.00 C ATOM 1445 O ILE A 110 4.349 -4.948 -7.212 1.00 0.00 O ATOM 1446 CB ILE A 110 4.860 -4.171 -3.840 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.335 -4.149 -3.830 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.391 -3.036 -2.967 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.823 -4.884 -2.595 1.00 0.00 C ATOM 0 H ILE A 110 3.869 -2.790 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 110 6.453 -3.960 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 110 5.211 -5.126 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.976 -3.120 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.948 -4.621 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.032 -3.164 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.481 -3.051 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.039 -2.081 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.733 -4.868 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.171 -5.917 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.199 -4.393 -1.697 1.00 0.00 H new ATOM 1461 N SER A 111 5.203 -6.380 -5.697 1.00 0.00 N ATOM 1462 CA SER A 111 4.836 -7.568 -6.443 1.00 0.00 C ATOM 1463 C SER A 111 5.184 -8.812 -5.637 1.00 0.00 C ATOM 1464 O SER A 111 5.729 -8.711 -4.540 1.00 0.00 O ATOM 1465 CB SER A 111 5.565 -7.570 -7.784 1.00 0.00 C ATOM 1466 OG SER A 111 4.647 -7.856 -8.816 1.00 0.00 O ATOM 0 H SER A 111 5.682 -6.568 -4.816 1.00 0.00 H new ATOM 0 HA SER A 111 3.762 -7.569 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.033 -6.601 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.363 -8.313 -7.776 1.00 0.00 H new ATOM 0 HG SER A 111 5.113 -7.856 -9.678 1.00 0.00 H new ATOM 1472 N PHE A 112 4.869 -9.987 -6.185 1.00 0.00 N ATOM 1473 CA PHE A 112 5.152 -11.241 -5.516 1.00 0.00 C ATOM 1474 C PHE A 112 5.623 -12.274 -6.530 1.00 0.00 C ATOM 1475 O PHE A 112 4.837 -12.749 -7.346 1.00 0.00 O ATOM 1476 CB PHE A 112 3.897 -11.725 -4.794 1.00 0.00 C ATOM 1477 CG PHE A 112 3.345 -10.724 -3.808 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.835 -9.502 -4.262 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.345 -11.016 -2.439 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.325 -8.572 -3.348 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.836 -10.087 -1.524 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.325 -8.865 -1.979 1.00 0.00 C ATOM 0 H PHE A 112 4.417 -10.088 -7.094 1.00 0.00 H new ATOM 0 HA PHE A 112 5.945 -11.095 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.129 -11.957 -5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.125 -12.653 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.835 -9.276 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.738 -11.959 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.932 -7.629 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.837 -10.312 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.931 -8.148 -1.274 1.00 0.00 H new ATOM 1492 N ASN A 113 6.912 -12.620 -6.477 1.00 0.00 N ATOM 1493 CA ASN A 113 7.478 -13.593 -7.389 1.00 0.00 C ATOM 1494 C ASN A 113 8.984 -13.678 -7.187 1.00 0.00 C ATOM 1495 O ASN A 113 9.596 -14.702 -7.485 1.00 0.00 O ATOM 1496 CB ASN A 113 7.147 -13.194 -8.825 1.00 0.00 C ATOM 1497 CG ASN A 113 7.747 -11.837 -9.164 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.869 -11.758 -9.658 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.994 -10.767 -8.899 1.00 0.00 N ATOM 0 H ASN A 113 7.577 -12.234 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 113 7.050 -14.575 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.530 -13.947 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.066 -13.161 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.345 -9.832 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.068 -10.884 -8.488 1.00 0.00 H new