USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 792 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 60 ASN : amide:sc= -0.372 K(o=-0.43,f=-7.8!) USER MOD Set 1.2: A 63 THR OG1 : rot -160:sc= -0.0621 USER MOD Set 2.1: A 29 CYS SG : rot 130:sc= 0.0846 USER MOD Set 2.2: A 32 CYS SG : rot 71:sc= -0.251 USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 0.63 USER MOD Set 3.2: A 9 GLN : amide:sc= -0.635 K(o=-0.0052,f=0.63) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.28 USER MOD Single : A 16 SER OG : rot 101:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 138:sc= 1.14 (180deg=0.124) USER MOD Single : A 34 MET CE :methyl -174:sc= 0 (180deg=-0.0409) USER MOD Single : A 44 GLN : amide:sc= 0.691 K(o=0.69,f=-0.15) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 3.65 (180deg=3.2) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.0113 (180deg=-0.114) USER MOD Single : A 61 GLN : amide:sc= -1.78! C(o=-1.8!,f=-1.6!) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 2.12 (180deg=1.61) USER MOD Single : A 67 TYR OH : rot -142:sc= 0.391 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 2.09 (180deg=1.38) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 2.29 (180deg=1.97) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 2.5 (180deg=2.33) USER MOD Single : A 97 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.99) USER MOD Single : A 101 ASN : amide:sc= 1.05 K(o=1,f=-0.0034) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 -1.507 -4.090 -2.915 1.00 0.00 N ATOM 31 CA ILE A 3 -2.721 -4.650 -3.479 1.00 0.00 C ATOM 32 C ILE A 3 -3.175 -5.768 -2.526 1.00 0.00 C ATOM 33 O ILE A 3 -2.347 -6.424 -1.882 1.00 0.00 O ATOM 34 CB ILE A 3 -2.376 -5.124 -4.908 1.00 0.00 C ATOM 35 CG1 ILE A 3 -1.932 -3.899 -5.744 1.00 0.00 C ATOM 36 CG2 ILE A 3 -3.542 -5.865 -5.588 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.489 -4.215 -7.166 1.00 0.00 C ATOM 0 HA ILE A 3 -3.550 -3.948 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.563 -5.847 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.758 -3.189 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.111 -3.403 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.242 -6.174 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.806 -6.744 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.404 -5.202 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.198 -3.293 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.640 -4.898 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.312 -4.680 -7.709 1.00 0.00 H new ATOM 49 N VAL A 4 -4.484 -5.989 -2.432 1.00 0.00 N ATOM 50 CA VAL A 4 -5.118 -6.835 -1.424 1.00 0.00 C ATOM 51 C VAL A 4 -6.093 -7.779 -2.145 1.00 0.00 C ATOM 52 O VAL A 4 -6.456 -7.556 -3.303 1.00 0.00 O ATOM 53 CB VAL A 4 -5.806 -5.927 -0.362 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.266 -6.695 0.889 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.893 -4.786 0.131 1.00 0.00 C ATOM 0 H VAL A 4 -5.155 -5.570 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.396 -7.451 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.669 -5.525 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.737 -6.003 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.983 -7.464 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.405 -7.163 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.426 -4.187 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.996 -5.208 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.611 -4.156 -0.712 1.00 0.00 H new ATOM 65 N LYS A 5 -6.545 -8.826 -1.455 1.00 0.00 N ATOM 66 CA LYS A 5 -7.564 -9.764 -1.914 1.00 0.00 C ATOM 67 C LYS A 5 -8.619 -9.818 -0.823 1.00 0.00 C ATOM 68 O LYS A 5 -8.287 -9.804 0.365 1.00 0.00 O ATOM 69 CB LYS A 5 -6.914 -11.142 -2.130 1.00 0.00 C ATOM 70 CG LYS A 5 -7.862 -12.327 -2.409 1.00 0.00 C ATOM 71 CD LYS A 5 -8.679 -12.237 -3.707 1.00 0.00 C ATOM 72 CE LYS A 5 -7.823 -12.084 -4.975 1.00 0.00 C ATOM 73 NZ LYS A 5 -6.974 -13.276 -5.250 1.00 0.00 N ATOM 0 H LYS A 5 -6.196 -9.051 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.015 -9.459 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.218 -11.061 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.324 -11.381 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.271 -13.242 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.554 -12.419 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.292 -13.133 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.361 -11.390 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.477 -11.905 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.185 -11.206 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.420 -13.115 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.328 -13.434 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.580 -14.112 -5.377 1.00 0.00 H new ATOM 87 N ALA A 6 -9.874 -9.916 -1.235 1.00 0.00 N ATOM 88 CA ALA A 6 -11.004 -10.190 -0.362 1.00 0.00 C ATOM 89 C ALA A 6 -12.051 -10.980 -1.145 1.00 0.00 C ATOM 90 O ALA A 6 -11.954 -11.110 -2.368 1.00 0.00 O ATOM 91 CB ALA A 6 -11.591 -8.874 0.166 1.00 0.00 C ATOM 0 H ALA A 6 -10.141 -9.804 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.680 -10.780 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.437 -9.089 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.828 -8.334 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.926 -8.263 -0.672 1.00 0.00 H new ATOM 97 N THR A 7 -13.068 -11.467 -0.438 1.00 0.00 N ATOM 98 CA THR A 7 -14.250 -12.084 -1.024 1.00 0.00 C ATOM 99 C THR A 7 -15.484 -11.501 -0.323 1.00 0.00 C ATOM 100 O THR A 7 -15.320 -10.723 0.620 1.00 0.00 O ATOM 101 CB THR A 7 -14.159 -13.620 -0.911 1.00 0.00 C ATOM 102 OG1 THR A 7 -14.050 -14.029 0.442 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.980 -14.220 -1.686 1.00 0.00 C ATOM 0 H THR A 7 -13.091 -11.442 0.581 1.00 0.00 H new ATOM 0 HA THR A 7 -14.326 -11.865 -2.089 1.00 0.00 H new ATOM 0 HB THR A 7 -15.084 -13.991 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.683 -14.937 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.977 -15.303 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.078 -13.976 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.046 -13.809 -1.303 1.00 0.00 H new ATOM 111 N ASP A 8 -16.707 -11.887 -0.708 1.00 0.00 N ATOM 112 CA ASP A 8 -17.964 -11.448 -0.066 1.00 0.00 C ATOM 113 C ASP A 8 -17.918 -11.513 1.468 1.00 0.00 C ATOM 114 O ASP A 8 -18.531 -10.697 2.156 1.00 0.00 O ATOM 115 CB ASP A 8 -19.141 -12.309 -0.544 1.00 0.00 C ATOM 116 CG ASP A 8 -20.467 -11.815 0.060 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.954 -10.733 -0.342 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.038 -12.523 0.919 1.00 0.00 O ATOM 0 H ASP A 8 -16.859 -12.525 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.095 -10.406 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.200 -12.279 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.974 -13.349 -0.262 1.00 0.00 H new ATOM 123 N GLN A 9 -17.151 -12.469 1.994 1.00 0.00 N ATOM 124 CA GLN A 9 -16.935 -12.718 3.410 1.00 0.00 C ATOM 125 C GLN A 9 -16.339 -11.506 4.150 1.00 0.00 C ATOM 126 O GLN A 9 -16.687 -11.293 5.316 1.00 0.00 O ATOM 127 CB GLN A 9 -16.007 -13.941 3.552 1.00 0.00 C ATOM 128 CG GLN A 9 -16.658 -15.310 3.261 1.00 0.00 C ATOM 129 CD GLN A 9 -17.336 -15.463 1.893 1.00 0.00 C ATOM 130 OE1 GLN A 9 -18.532 -15.729 1.810 1.00 0.00 O ATOM 131 NE2 GLN A 9 -16.619 -15.303 0.788 1.00 0.00 N ATOM 0 H GLN A 9 -16.637 -13.125 1.405 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.903 -12.908 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.159 -13.811 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.609 -13.957 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.891 -16.080 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.400 -15.507 4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.625 -15.082 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.062 -15.401 -0.126 1.00 0.00 H new ATOM 140 N SER A 10 -15.474 -10.716 3.500 1.00 0.00 N ATOM 141 CA SER A 10 -14.676 -9.673 4.168 1.00 0.00 C ATOM 142 C SER A 10 -14.425 -8.417 3.323 1.00 0.00 C ATOM 143 O SER A 10 -13.862 -7.445 3.831 1.00 0.00 O ATOM 144 CB SER A 10 -13.327 -10.267 4.615 1.00 0.00 C ATOM 145 OG SER A 10 -13.481 -11.485 5.333 1.00 0.00 O ATOM 0 H SER A 10 -15.306 -10.780 2.496 1.00 0.00 H new ATOM 0 HA SER A 10 -15.270 -9.345 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.702 -10.442 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.804 -9.543 5.241 1.00 0.00 H new ATOM 0 HG SER A 10 -12.600 -11.824 5.594 1.00 0.00 H new ATOM 151 N PHE A 11 -14.865 -8.388 2.064 1.00 0.00 N ATOM 152 CA PHE A 11 -14.743 -7.234 1.175 1.00 0.00 C ATOM 153 C PHE A 11 -15.346 -5.985 1.819 1.00 0.00 C ATOM 154 O PHE A 11 -14.798 -4.891 1.680 1.00 0.00 O ATOM 155 CB PHE A 11 -15.430 -7.582 -0.152 1.00 0.00 C ATOM 156 CG PHE A 11 -15.434 -6.488 -1.201 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.357 -6.371 -2.101 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.540 -5.625 -1.320 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.396 -5.414 -3.128 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.574 -4.664 -2.345 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.512 -4.567 -3.256 1.00 0.00 C ATOM 0 H PHE A 11 -15.326 -9.185 1.625 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.693 -7.008 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.941 -8.461 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.462 -7.862 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.499 -7.019 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.362 -5.701 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.570 -5.328 -3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.420 -3.998 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.551 -3.842 -4.056 1.00 0.00 H new ATOM 171 N SER A 12 -16.436 -6.143 2.573 1.00 0.00 N ATOM 172 CA SER A 12 -17.114 -5.033 3.223 1.00 0.00 C ATOM 173 C SER A 12 -16.255 -4.404 4.321 1.00 0.00 C ATOM 174 O SER A 12 -16.290 -3.189 4.506 1.00 0.00 O ATOM 175 CB SER A 12 -18.460 -5.514 3.780 1.00 0.00 C ATOM 176 OG SER A 12 -19.158 -6.292 2.816 1.00 0.00 O ATOM 0 H SER A 12 -16.870 -7.049 2.747 1.00 0.00 H new ATOM 0 HA SER A 12 -17.290 -4.254 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.295 -6.105 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.066 -4.656 4.069 1.00 0.00 H new ATOM 0 HG SER A 12 -20.012 -6.590 3.192 1.00 0.00 H new ATOM 182 N ALA A 13 -15.456 -5.205 5.033 1.00 0.00 N ATOM 183 CA ALA A 13 -14.530 -4.694 6.029 1.00 0.00 C ATOM 184 C ALA A 13 -13.395 -3.946 5.328 1.00 0.00 C ATOM 185 O ALA A 13 -13.048 -2.834 5.726 1.00 0.00 O ATOM 186 CB ALA A 13 -13.984 -5.842 6.887 1.00 0.00 C ATOM 0 H ALA A 13 -15.438 -6.220 4.930 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.051 -4.002 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.292 -5.444 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.810 -6.343 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.462 -6.556 6.250 1.00 0.00 H new ATOM 192 N GLU A 14 -12.835 -4.536 4.267 1.00 0.00 N ATOM 193 CA GLU A 14 -11.689 -3.966 3.570 1.00 0.00 C ATOM 194 C GLU A 14 -12.039 -2.632 2.920 1.00 0.00 C ATOM 195 O GLU A 14 -11.224 -1.709 2.954 1.00 0.00 O ATOM 196 CB GLU A 14 -11.150 -4.942 2.513 1.00 0.00 C ATOM 197 CG GLU A 14 -10.364 -6.098 3.147 1.00 0.00 C ATOM 198 CD GLU A 14 -9.080 -5.663 3.885 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.534 -4.574 3.595 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.613 -6.419 4.768 1.00 0.00 O ATOM 0 H GLU A 14 -13.165 -5.417 3.873 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.912 -3.789 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.981 -5.343 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.506 -4.404 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.013 -6.621 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.097 -6.811 2.367 1.00 0.00 H new ATOM 207 N THR A 15 -13.246 -2.502 2.371 1.00 0.00 N ATOM 208 CA THR A 15 -13.691 -1.290 1.700 1.00 0.00 C ATOM 209 C THR A 15 -14.061 -0.165 2.682 1.00 0.00 C ATOM 210 O THR A 15 -14.429 0.926 2.239 1.00 0.00 O ATOM 211 CB THR A 15 -14.808 -1.626 0.698 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.815 -2.440 1.260 1.00 0.00 O ATOM 213 CG2 THR A 15 -14.231 -2.346 -0.529 1.00 0.00 C ATOM 0 H THR A 15 -13.946 -3.244 2.382 1.00 0.00 H new ATOM 0 HA THR A 15 -12.853 -0.884 1.133 1.00 0.00 H new ATOM 0 HB THR A 15 -15.255 -0.675 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.548 -3.381 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.036 -2.576 -1.227 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.499 -1.703 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.748 -3.271 -0.214 1.00 0.00 H new ATOM 221 N SER A 16 -13.923 -0.385 3.996 1.00 0.00 N ATOM 222 CA SER A 16 -14.435 0.502 5.037 1.00 0.00 C ATOM 223 C SER A 16 -13.308 1.084 5.898 1.00 0.00 C ATOM 224 O SER A 16 -13.469 1.251 7.108 1.00 0.00 O ATOM 225 CB SER A 16 -15.509 -0.226 5.860 1.00 0.00 C ATOM 226 OG SER A 16 -16.588 -0.630 5.043 1.00 0.00 O ATOM 0 H SER A 16 -13.441 -1.203 4.368 1.00 0.00 H new ATOM 0 HA SER A 16 -14.909 1.363 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.071 -1.098 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.873 0.430 6.650 1.00 0.00 H new ATOM 0 HG SER A 16 -16.506 -1.585 4.841 1.00 0.00 H new ATOM 232 N GLU A 17 -12.163 1.399 5.280 1.00 0.00 N ATOM 233 CA GLU A 17 -11.010 1.973 5.984 1.00 0.00 C ATOM 234 C GLU A 17 -10.425 3.218 5.297 1.00 0.00 C ATOM 235 O GLU A 17 -9.475 3.810 5.817 1.00 0.00 O ATOM 236 CB GLU A 17 -9.918 0.904 6.166 1.00 0.00 C ATOM 237 CG GLU A 17 -10.370 -0.321 6.974 1.00 0.00 C ATOM 238 CD GLU A 17 -9.183 -1.238 7.316 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.394 -1.575 6.405 1.00 0.00 O ATOM 240 OE2 GLU A 17 -9.036 -1.634 8.496 1.00 0.00 O ATOM 0 H GLU A 17 -12.010 1.264 4.281 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.376 2.305 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.580 0.574 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.060 1.357 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.855 0.007 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.112 -0.881 6.404 1.00 0.00 H new ATOM 247 N GLY A 18 -10.956 3.634 4.145 1.00 0.00 N ATOM 248 CA GLY A 18 -10.371 4.706 3.346 1.00 0.00 C ATOM 249 C GLY A 18 -10.932 4.673 1.936 1.00 0.00 C ATOM 250 O GLY A 18 -11.951 4.017 1.704 1.00 0.00 O ATOM 0 H GLY A 18 -11.804 3.235 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.583 5.671 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.287 4.598 3.317 1.00 0.00 H new ATOM 254 N VAL A 19 -10.299 5.391 1.005 1.00 0.00 N ATOM 255 CA VAL A 19 -10.576 5.214 -0.417 1.00 0.00 C ATOM 256 C VAL A 19 -10.038 3.825 -0.776 1.00 0.00 C ATOM 257 O VAL A 19 -8.972 3.424 -0.294 1.00 0.00 O ATOM 258 CB VAL A 19 -9.928 6.338 -1.257 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.153 6.152 -2.767 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.520 7.702 -0.872 1.00 0.00 C ATOM 0 H VAL A 19 -9.594 6.098 1.212 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.642 5.278 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.860 6.293 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.677 6.969 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.719 5.204 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.222 6.151 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.054 8.483 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.595 7.697 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.332 7.895 0.184 1.00 0.00 H new ATOM 270 N VAL A 20 -10.756 3.094 -1.621 1.00 0.00 N ATOM 271 CA VAL A 20 -10.413 1.746 -2.038 1.00 0.00 C ATOM 272 C VAL A 20 -10.775 1.625 -3.518 1.00 0.00 C ATOM 273 O VAL A 20 -11.793 2.166 -3.955 1.00 0.00 O ATOM 274 CB VAL A 20 -11.162 0.721 -1.150 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.818 -0.714 -1.568 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.845 0.915 0.346 1.00 0.00 C ATOM 0 H VAL A 20 -11.618 3.436 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.350 1.538 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.228 0.894 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.355 -1.417 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.109 -0.870 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.745 -0.876 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.391 0.176 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.775 0.790 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.145 1.916 0.655 1.00 0.00 H new ATOM 286 N LEU A 21 -9.958 0.901 -4.283 1.00 0.00 N ATOM 287 CA LEU A 21 -10.218 0.577 -5.679 1.00 0.00 C ATOM 288 C LEU A 21 -10.449 -0.925 -5.740 1.00 0.00 C ATOM 289 O LEU A 21 -9.497 -1.704 -5.699 1.00 0.00 O ATOM 290 CB LEU A 21 -9.032 1.006 -6.558 1.00 0.00 C ATOM 291 CG LEU A 21 -9.200 0.654 -8.046 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.333 1.465 -8.684 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.897 0.951 -8.791 1.00 0.00 C ATOM 0 H LEU A 21 -9.078 0.517 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.091 1.109 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.893 2.083 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.124 0.533 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.446 -0.405 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.427 1.194 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.269 1.250 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.110 2.529 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.016 0.702 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.655 2.009 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.090 0.354 -8.366 1.00 0.00 H new ATOM 305 N ALA A 22 -11.707 -1.344 -5.778 1.00 0.00 N ATOM 306 CA ALA A 22 -12.021 -2.732 -6.051 1.00 0.00 C ATOM 307 C ALA A 22 -11.837 -2.981 -7.547 1.00 0.00 C ATOM 308 O ALA A 22 -12.175 -2.124 -8.367 1.00 0.00 O ATOM 309 CB ALA A 22 -13.448 -3.028 -5.610 1.00 0.00 C ATOM 0 H ALA A 22 -12.518 -0.745 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.358 -3.396 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.683 -4.072 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.545 -2.838 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.138 -2.386 -6.157 1.00 0.00 H new ATOM 315 N ASP A 23 -11.358 -4.170 -7.896 1.00 0.00 N ATOM 316 CA ASP A 23 -11.142 -4.624 -9.262 1.00 0.00 C ATOM 317 C ASP A 23 -11.811 -5.983 -9.397 1.00 0.00 C ATOM 318 O ASP A 23 -11.260 -7.006 -8.980 1.00 0.00 O ATOM 319 CB ASP A 23 -9.648 -4.699 -9.600 1.00 0.00 C ATOM 320 CG ASP A 23 -9.421 -5.468 -10.915 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.114 -5.174 -11.916 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.531 -6.346 -10.942 1.00 0.00 O ATOM 0 H ASP A 23 -11.099 -4.873 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.575 -3.916 -9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.240 -3.692 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.112 -5.191 -8.789 1.00 0.00 H new ATOM 327 N PHE A 24 -13.044 -5.963 -9.897 1.00 0.00 N ATOM 328 CA PHE A 24 -13.795 -7.153 -10.238 1.00 0.00 C ATOM 329 C PHE A 24 -13.208 -7.685 -11.540 1.00 0.00 C ATOM 330 O PHE A 24 -13.264 -7.001 -12.569 1.00 0.00 O ATOM 331 CB PHE A 24 -15.291 -6.826 -10.351 1.00 0.00 C ATOM 332 CG PHE A 24 -15.917 -6.454 -9.018 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.858 -5.127 -8.549 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.501 -7.450 -8.210 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.361 -4.806 -7.277 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.012 -7.125 -6.942 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.936 -5.803 -6.472 1.00 0.00 C ATOM 0 H PHE A 24 -13.553 -5.098 -10.078 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.716 -7.918 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.426 -6.003 -11.052 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.816 -7.687 -10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.425 -4.355 -9.168 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.556 -8.468 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.305 -3.789 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.463 -7.891 -6.329 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.319 -5.554 -5.493 1.00 0.00 H new ATOM 347 N TRP A 25 -12.635 -8.889 -11.489 1.00 0.00 N ATOM 348 CA TRP A 25 -11.904 -9.495 -12.599 1.00 0.00 C ATOM 349 C TRP A 25 -12.304 -10.963 -12.755 1.00 0.00 C ATOM 350 O TRP A 25 -13.060 -11.487 -11.935 1.00 0.00 O ATOM 351 CB TRP A 25 -10.389 -9.336 -12.387 1.00 0.00 C ATOM 352 CG TRP A 25 -9.777 -10.196 -11.323 1.00 0.00 C ATOM 353 CD1 TRP A 25 -9.969 -10.045 -9.998 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.887 -11.348 -11.461 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.312 -11.040 -9.306 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.624 -11.873 -10.159 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.263 -11.999 -12.549 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.814 -12.997 -9.950 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.429 -13.115 -12.345 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.219 -13.628 -11.053 1.00 0.00 C ATOM 0 H TRP A 25 -12.668 -9.480 -10.658 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.164 -8.981 -13.525 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.887 -9.549 -13.331 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.184 -8.293 -12.145 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.553 -9.258 -9.544 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.333 -11.145 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.428 -11.635 -13.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.649 -13.373 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.945 -13.582 -13.190 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.603 -14.503 -10.910 1.00 0.00 H new ATOM 371 N ALA A 26 -11.791 -11.626 -13.795 1.00 0.00 N ATOM 372 CA ALA A 26 -11.889 -13.069 -13.979 1.00 0.00 C ATOM 373 C ALA A 26 -10.634 -13.537 -14.725 1.00 0.00 C ATOM 374 O ALA A 26 -10.140 -12.799 -15.583 1.00 0.00 O ATOM 375 CB ALA A 26 -13.147 -13.419 -14.781 1.00 0.00 C ATOM 0 H ALA A 26 -11.285 -11.160 -14.548 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.960 -13.568 -13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.207 -14.500 -14.911 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.029 -13.068 -14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.101 -12.938 -15.758 1.00 0.00 H new ATOM 381 N PRO A 27 -10.117 -14.748 -14.455 1.00 0.00 N ATOM 382 CA PRO A 27 -8.816 -15.183 -14.957 1.00 0.00 C ATOM 383 C PRO A 27 -8.811 -15.526 -16.449 1.00 0.00 C ATOM 384 O PRO A 27 -7.736 -15.605 -17.045 1.00 0.00 O ATOM 385 CB PRO A 27 -8.435 -16.390 -14.094 1.00 0.00 C ATOM 386 CG PRO A 27 -9.783 -16.974 -13.673 1.00 0.00 C ATOM 387 CD PRO A 27 -10.680 -15.743 -13.555 1.00 0.00 C ATOM 0 HA PRO A 27 -8.091 -14.373 -14.880 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.843 -17.113 -14.655 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.840 -16.093 -13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.164 -17.679 -14.412 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.711 -17.511 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.707 -15.981 -13.830 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.702 -15.373 -12.530 1.00 0.00 H new ATOM 395 N TRP A 28 -9.979 -15.716 -17.066 1.00 0.00 N ATOM 396 CA TRP A 28 -10.107 -16.008 -18.489 1.00 0.00 C ATOM 397 C TRP A 28 -10.317 -14.736 -19.324 1.00 0.00 C ATOM 398 O TRP A 28 -10.338 -14.814 -20.554 1.00 0.00 O ATOM 399 CB TRP A 28 -11.242 -17.029 -18.676 1.00 0.00 C ATOM 400 CG TRP A 28 -12.479 -16.850 -17.835 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.195 -15.711 -17.698 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.152 -17.837 -16.992 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.274 -15.931 -16.866 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.288 -17.221 -16.383 1.00 0.00 C ATOM 405 CE3 TRP A 28 -12.914 -19.193 -16.673 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.140 -17.912 -15.508 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.763 -19.897 -15.796 1.00 0.00 C ATOM 408 CH2 TRP A 28 -14.873 -19.260 -15.216 1.00 0.00 C ATOM 0 H TRP A 28 -10.875 -15.670 -16.580 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.176 -16.439 -18.857 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.541 -17.012 -19.724 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.839 -18.022 -18.476 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.958 -14.769 -18.170 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.974 -15.226 -16.637 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.066 -19.699 -17.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -15.990 -17.414 -15.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.559 -20.933 -15.568 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.521 -19.806 -14.546 1.00 0.00 H new ATOM 419 N CYS A 29 -10.483 -13.566 -18.691 1.00 0.00 N ATOM 420 CA CYS A 29 -10.713 -12.313 -19.394 1.00 0.00 C ATOM 421 C CYS A 29 -9.354 -11.720 -19.784 1.00 0.00 C ATOM 422 O CYS A 29 -8.564 -11.362 -18.909 1.00 0.00 O ATOM 423 CB CYS A 29 -11.505 -11.369 -18.483 1.00 0.00 C ATOM 424 SG CYS A 29 -11.916 -9.836 -19.366 1.00 0.00 S ATOM 0 H CYS A 29 -10.460 -13.470 -17.676 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.295 -12.469 -20.302 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.419 -11.859 -18.147 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.921 -11.138 -17.592 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.185 -9.586 -19.234 1.00 0.00 H new ATOM 430 N GLY A 30 -9.091 -11.595 -21.088 1.00 0.00 N ATOM 431 CA GLY A 30 -7.882 -10.963 -21.609 1.00 0.00 C ATOM 432 C GLY A 30 -7.700 -9.536 -21.081 1.00 0.00 C ATOM 433 O GLY A 30 -6.667 -9.259 -20.472 1.00 0.00 O ATOM 0 H GLY A 30 -9.719 -11.934 -21.816 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.014 -11.563 -21.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.925 -10.943 -22.698 1.00 0.00 H new ATOM 437 N PRO A 31 -8.679 -8.627 -21.238 1.00 0.00 N ATOM 438 CA PRO A 31 -8.614 -7.277 -20.686 1.00 0.00 C ATOM 439 C PRO A 31 -8.250 -7.196 -19.195 1.00 0.00 C ATOM 440 O PRO A 31 -7.500 -6.295 -18.818 1.00 0.00 O ATOM 441 CB PRO A 31 -9.975 -6.653 -20.998 1.00 0.00 C ATOM 442 CG PRO A 31 -10.358 -7.322 -22.316 1.00 0.00 C ATOM 443 CD PRO A 31 -9.805 -8.738 -22.157 1.00 0.00 C ATOM 0 HA PRO A 31 -7.790 -6.729 -21.144 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.704 -6.858 -20.214 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.910 -5.570 -21.098 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.437 -7.325 -22.468 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.917 -6.810 -23.171 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.565 -9.412 -21.763 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.487 -9.143 -23.118 1.00 0.00 H new ATOM 451 N CYS A 32 -8.701 -8.130 -18.344 1.00 0.00 N ATOM 452 CA CYS A 32 -8.257 -8.182 -16.948 1.00 0.00 C ATOM 453 C CYS A 32 -6.737 -8.376 -16.842 1.00 0.00 C ATOM 454 O CYS A 32 -6.095 -7.739 -16.008 1.00 0.00 O ATOM 455 CB CYS A 32 -8.971 -9.300 -16.177 1.00 0.00 C ATOM 456 SG CYS A 32 -10.743 -8.947 -16.017 1.00 0.00 S ATOM 0 H CYS A 32 -9.370 -8.856 -18.599 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.516 -7.222 -16.502 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.831 -10.250 -16.693 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.526 -9.406 -15.187 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.319 -9.086 -17.174 1.00 0.00 H new ATOM 462 N LYS A 33 -6.138 -9.220 -17.688 1.00 0.00 N ATOM 463 CA LYS A 33 -4.683 -9.393 -17.720 1.00 0.00 C ATOM 464 C LYS A 33 -4.014 -8.106 -18.199 1.00 0.00 C ATOM 465 O LYS A 33 -2.974 -7.730 -17.665 1.00 0.00 O ATOM 466 CB LYS A 33 -4.275 -10.564 -18.633 1.00 0.00 C ATOM 467 CG LYS A 33 -4.948 -11.889 -18.247 1.00 0.00 C ATOM 468 CD LYS A 33 -4.574 -13.011 -19.227 1.00 0.00 C ATOM 469 CE LYS A 33 -5.422 -14.266 -18.979 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.098 -14.944 -17.701 1.00 0.00 N ATOM 0 H LYS A 33 -6.641 -9.796 -18.362 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.351 -9.622 -16.707 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.531 -10.320 -19.664 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.193 -10.688 -18.594 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.649 -12.171 -17.237 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.030 -11.760 -18.235 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.719 -12.667 -20.251 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.517 -13.255 -19.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.477 -13.991 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.274 -14.965 -19.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.978 -15.243 -17.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.506 -15.778 -17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.583 -14.287 -17.080 1.00 0.00 H new ATOM 484 N MET A 34 -4.606 -7.417 -19.180 1.00 0.00 N ATOM 485 CA MET A 34 -4.031 -6.203 -19.754 1.00 0.00 C ATOM 486 C MET A 34 -4.022 -5.059 -18.744 1.00 0.00 C ATOM 487 O MET A 34 -3.032 -4.334 -18.663 1.00 0.00 O ATOM 488 CB MET A 34 -4.793 -5.777 -21.018 1.00 0.00 C ATOM 489 CG MET A 34 -4.727 -6.840 -22.119 1.00 0.00 C ATOM 490 SD MET A 34 -3.074 -7.226 -22.770 1.00 0.00 S ATOM 491 CE MET A 34 -2.661 -5.668 -23.605 1.00 0.00 C ATOM 0 H MET A 34 -5.497 -7.688 -19.596 1.00 0.00 H new ATOM 0 HA MET A 34 -3.000 -6.431 -20.025 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.835 -5.584 -20.764 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.377 -4.842 -21.393 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.166 -7.760 -21.733 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.353 -6.512 -22.949 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.721 -5.783 -24.145 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.454 -5.410 -24.307 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.560 -4.874 -22.865 1.00 0.00 H new ATOM 501 N ILE A 35 -5.099 -4.883 -17.968 1.00 0.00 N ATOM 502 CA ILE A 35 -5.167 -3.809 -16.980 1.00 0.00 C ATOM 503 C ILE A 35 -4.335 -4.152 -15.733 1.00 0.00 C ATOM 504 O ILE A 35 -3.943 -3.240 -15.012 1.00 0.00 O ATOM 505 CB ILE A 35 -6.643 -3.447 -16.676 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.748 -2.015 -16.104 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.330 -4.481 -15.772 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.187 -1.569 -15.812 1.00 0.00 C ATOM 0 H ILE A 35 -5.931 -5.471 -18.008 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.713 -2.907 -17.391 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.185 -3.471 -17.621 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.166 -1.958 -15.184 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.298 -1.318 -16.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.361 -4.178 -15.591 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.318 -5.456 -16.260 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.799 -4.544 -14.822 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.180 -0.555 -15.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.769 -1.593 -16.733 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.636 -2.243 -15.082 1.00 0.00 H new ATOM 520 N ALA A 36 -4.029 -5.431 -15.471 1.00 0.00 N ATOM 521 CA ALA A 36 -3.332 -5.840 -14.248 1.00 0.00 C ATOM 522 C ALA A 36 -2.022 -5.065 -13.986 1.00 0.00 C ATOM 523 O ALA A 36 -1.893 -4.505 -12.894 1.00 0.00 O ATOM 524 CB ALA A 36 -3.113 -7.358 -14.224 1.00 0.00 C ATOM 0 H ALA A 36 -4.256 -6.204 -16.097 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.989 -5.574 -13.420 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.594 -7.636 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.077 -7.865 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.512 -7.653 -15.084 1.00 0.00 H new ATOM 530 N PRO A 37 -1.066 -4.941 -14.929 1.00 0.00 N ATOM 531 CA PRO A 37 0.139 -4.156 -14.684 1.00 0.00 C ATOM 532 C PRO A 37 -0.160 -2.658 -14.549 1.00 0.00 C ATOM 533 O PRO A 37 0.580 -1.958 -13.862 1.00 0.00 O ATOM 534 CB PRO A 37 1.082 -4.450 -15.856 1.00 0.00 C ATOM 535 CG PRO A 37 0.139 -4.879 -16.979 1.00 0.00 C ATOM 536 CD PRO A 37 -0.978 -5.597 -16.227 1.00 0.00 C ATOM 0 HA PRO A 37 0.595 -4.434 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.662 -3.570 -16.134 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.795 -5.237 -15.609 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.236 -4.024 -17.541 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.634 -5.537 -17.693 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.922 -5.525 -16.767 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.755 -6.658 -16.115 1.00 0.00 H new ATOM 544 N VAL A 38 -1.239 -2.150 -15.150 1.00 0.00 N ATOM 545 CA VAL A 38 -1.663 -0.767 -14.965 1.00 0.00 C ATOM 546 C VAL A 38 -2.139 -0.570 -13.520 1.00 0.00 C ATOM 547 O VAL A 38 -1.844 0.462 -12.918 1.00 0.00 O ATOM 548 CB VAL A 38 -2.744 -0.373 -15.996 1.00 0.00 C ATOM 549 CG1 VAL A 38 -2.915 1.150 -16.044 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.395 -0.841 -17.418 1.00 0.00 C ATOM 0 H VAL A 38 -1.839 -2.687 -15.776 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.817 -0.102 -15.139 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.662 -0.862 -15.670 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.681 1.407 -16.776 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.216 1.514 -15.061 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.970 1.613 -16.329 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.186 -0.540 -18.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.453 -0.389 -17.729 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.298 -1.927 -17.430 1.00 0.00 H new ATOM 560 N LEU A 39 -2.825 -1.557 -12.931 1.00 0.00 N ATOM 561 CA LEU A 39 -3.195 -1.525 -11.523 1.00 0.00 C ATOM 562 C LEU A 39 -1.955 -1.619 -10.638 1.00 0.00 C ATOM 563 O LEU A 39 -1.914 -0.949 -9.610 1.00 0.00 O ATOM 564 CB LEU A 39 -4.198 -2.634 -11.162 1.00 0.00 C ATOM 565 CG LEU A 39 -5.562 -2.523 -11.870 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.457 -3.685 -11.437 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.274 -1.200 -11.568 1.00 0.00 C ATOM 0 H LEU A 39 -3.136 -2.396 -13.421 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.687 -0.569 -11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.755 -3.600 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.361 -2.621 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.374 -2.559 -12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.422 -3.607 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.984 -4.629 -11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.604 -3.648 -10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.230 -1.173 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.445 -1.116 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.654 -0.368 -11.903 1.00 0.00 H new ATOM 579 N GLU A 40 -0.930 -2.388 -11.021 1.00 0.00 N ATOM 580 CA GLU A 40 0.334 -2.366 -10.289 1.00 0.00 C ATOM 581 C GLU A 40 0.973 -0.978 -10.358 1.00 0.00 C ATOM 582 O GLU A 40 1.419 -0.465 -9.338 1.00 0.00 O ATOM 583 CB GLU A 40 1.318 -3.451 -10.749 1.00 0.00 C ATOM 584 CG GLU A 40 0.812 -4.866 -10.444 1.00 0.00 C ATOM 585 CD GLU A 40 1.863 -5.932 -10.804 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.724 -6.253 -9.953 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.831 -6.476 -11.931 1.00 0.00 O ATOM 0 H GLU A 40 -0.952 -3.022 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 40 0.096 -2.594 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.488 -3.352 -11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.279 -3.298 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.561 -4.944 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.105 -5.054 -11.003 1.00 0.00 H new ATOM 594 N GLU A 41 0.974 -0.324 -11.520 1.00 0.00 N ATOM 595 CA GLU A 41 1.495 1.034 -11.645 1.00 0.00 C ATOM 596 C GLU A 41 0.675 2.009 -10.790 1.00 0.00 C ATOM 597 O GLU A 41 1.245 2.908 -10.174 1.00 0.00 O ATOM 598 CB GLU A 41 1.524 1.479 -13.117 1.00 0.00 C ATOM 599 CG GLU A 41 2.648 0.820 -13.933 1.00 0.00 C ATOM 600 CD GLU A 41 4.044 1.323 -13.522 1.00 0.00 C ATOM 601 OE1 GLU A 41 4.462 2.410 -13.980 1.00 0.00 O ATOM 602 OE2 GLU A 41 4.748 0.626 -12.759 1.00 0.00 O ATOM 0 H GLU A 41 0.617 -0.717 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 41 2.521 1.040 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.565 1.244 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.642 2.562 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.602 -0.261 -13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.490 1.021 -14.993 1.00 0.00 H new ATOM 609 N LEU A 42 -0.645 1.821 -10.704 1.00 0.00 N ATOM 610 CA LEU A 42 -1.519 2.636 -9.872 1.00 0.00 C ATOM 611 C LEU A 42 -1.181 2.422 -8.397 1.00 0.00 C ATOM 612 O LEU A 42 -1.121 3.386 -7.639 1.00 0.00 O ATOM 613 CB LEU A 42 -2.987 2.300 -10.198 1.00 0.00 C ATOM 614 CG LEU A 42 -4.074 3.259 -9.675 1.00 0.00 C ATOM 615 CD1 LEU A 42 -4.418 3.108 -8.192 1.00 0.00 C ATOM 616 CD2 LEU A 42 -3.782 4.729 -10.000 1.00 0.00 C ATOM 0 H LEU A 42 -1.137 1.090 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.367 3.695 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.085 2.241 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.199 1.306 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.960 2.945 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.192 3.827 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.780 2.097 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.527 3.292 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.583 5.355 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.836 5.021 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.720 4.857 -11.081 1.00 0.00 H new ATOM 628 N ASP A 43 -0.890 1.189 -7.984 1.00 0.00 N ATOM 629 CA ASP A 43 -0.450 0.866 -6.633 1.00 0.00 C ATOM 630 C ASP A 43 0.895 1.528 -6.333 1.00 0.00 C ATOM 631 O ASP A 43 1.079 2.101 -5.262 1.00 0.00 O ATOM 632 CB ASP A 43 -0.360 -0.654 -6.452 1.00 0.00 C ATOM 633 CG ASP A 43 0.574 -1.041 -5.296 1.00 0.00 C ATOM 634 OD1 ASP A 43 0.116 -1.043 -4.133 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.756 -1.358 -5.567 1.00 0.00 O ATOM 0 H ASP A 43 -0.956 0.373 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.184 1.254 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.355 -1.056 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.002 -1.109 -7.376 1.00 0.00 H new ATOM 640 N GLN A 44 1.829 1.515 -7.281 1.00 0.00 N ATOM 641 CA GLN A 44 3.111 2.175 -7.112 1.00 0.00 C ATOM 642 C GLN A 44 2.952 3.702 -7.019 1.00 0.00 C ATOM 643 O GLN A 44 3.763 4.362 -6.366 1.00 0.00 O ATOM 644 CB GLN A 44 4.046 1.761 -8.257 1.00 0.00 C ATOM 645 CG GLN A 44 4.469 0.279 -8.206 1.00 0.00 C ATOM 646 CD GLN A 44 5.181 -0.110 -6.910 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.358 0.188 -6.715 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.501 -0.785 -5.995 1.00 0.00 N ATOM 0 H GLN A 44 1.715 1.048 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 44 3.555 1.859 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.550 1.956 -9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.939 2.386 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.585 -0.347 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.127 0.068 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.525 -1.029 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.954 -1.060 -5.123 1.00 0.00 H new ATOM 657 N GLU A 45 1.915 4.269 -7.639 1.00 0.00 N ATOM 658 CA GLU A 45 1.668 5.705 -7.678 1.00 0.00 C ATOM 659 C GLU A 45 0.868 6.190 -6.455 1.00 0.00 C ATOM 660 O GLU A 45 1.196 7.234 -5.887 1.00 0.00 O ATOM 661 CB GLU A 45 0.913 6.015 -8.984 1.00 0.00 C ATOM 662 CG GLU A 45 0.754 7.510 -9.290 1.00 0.00 C ATOM 663 CD GLU A 45 2.087 8.159 -9.697 1.00 0.00 C ATOM 664 OE1 GLU A 45 2.427 8.104 -10.900 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.788 8.734 -8.835 1.00 0.00 O ATOM 0 H GLU A 45 1.210 3.727 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 45 2.619 6.236 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.439 5.542 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.076 5.561 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.027 7.641 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.356 8.019 -8.413 1.00 0.00 H new ATOM 672 N MET A 46 -0.148 5.432 -6.023 1.00 0.00 N ATOM 673 CA MET A 46 -1.163 5.877 -5.060 1.00 0.00 C ATOM 674 C MET A 46 -1.481 4.842 -3.973 1.00 0.00 C ATOM 675 O MET A 46 -2.290 5.149 -3.096 1.00 0.00 O ATOM 676 CB MET A 46 -2.477 6.193 -5.810 1.00 0.00 C ATOM 677 CG MET A 46 -2.380 7.191 -6.969 1.00 0.00 C ATOM 678 SD MET A 46 -2.003 8.905 -6.509 1.00 0.00 S ATOM 679 CE MET A 46 -3.672 9.494 -6.113 1.00 0.00 C ATOM 0 H MET A 46 -0.290 4.473 -6.340 1.00 0.00 H new ATOM 0 HA MET A 46 -0.747 6.756 -4.568 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.882 5.258 -6.198 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.198 6.577 -5.088 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.612 6.843 -7.659 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.325 7.180 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.626 10.539 -5.808 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.309 9.400 -6.992 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.085 8.897 -5.300 1.00 0.00 H new ATOM 689 N GLY A 47 -0.887 3.642 -4.007 1.00 0.00 N ATOM 690 CA GLY A 47 -1.216 2.458 -3.199 1.00 0.00 C ATOM 691 C GLY A 47 -0.835 2.553 -1.721 1.00 0.00 C ATOM 692 O GLY A 47 -0.269 1.623 -1.148 1.00 0.00 O ATOM 0 H GLY A 47 -0.111 3.459 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.288 2.275 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.716 1.592 -3.632 1.00 0.00 H new ATOM 696 N ASP A 48 -1.116 3.694 -1.110 1.00 0.00 N ATOM 697 CA ASP A 48 -1.062 3.960 0.317 1.00 0.00 C ATOM 698 C ASP A 48 -2.151 4.975 0.666 1.00 0.00 C ATOM 699 O ASP A 48 -2.831 4.844 1.683 1.00 0.00 O ATOM 700 CB ASP A 48 0.312 4.507 0.700 1.00 0.00 C ATOM 701 CG ASP A 48 0.490 4.450 2.221 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.719 3.330 2.732 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.419 5.502 2.894 1.00 0.00 O ATOM 0 H ASP A 48 -1.409 4.516 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.227 3.036 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.094 3.925 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.414 5.535 0.351 1.00 0.00 H new ATOM 708 N LYS A 49 -2.372 5.948 -0.233 1.00 0.00 N ATOM 709 CA LYS A 49 -3.506 6.865 -0.210 1.00 0.00 C ATOM 710 C LYS A 49 -4.817 6.087 -0.382 1.00 0.00 C ATOM 711 O LYS A 49 -5.839 6.476 0.183 1.00 0.00 O ATOM 712 CB LYS A 49 -3.348 7.916 -1.325 1.00 0.00 C ATOM 713 CG LYS A 49 -2.028 8.705 -1.241 1.00 0.00 C ATOM 714 CD LYS A 49 -1.886 9.696 -2.403 1.00 0.00 C ATOM 715 CE LYS A 49 -0.515 10.387 -2.341 1.00 0.00 C ATOM 716 NZ LYS A 49 -0.308 11.336 -3.464 1.00 0.00 N ATOM 0 H LYS A 49 -1.742 6.117 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.535 7.377 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.404 7.419 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.184 8.614 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.986 9.245 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.188 8.011 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.996 9.173 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.680 10.441 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.423 10.922 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.271 9.632 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.630 11.776 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.369 10.824 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.041 12.074 -3.435 1.00 0.00 H new ATOM 730 N LEU A 50 -4.776 4.974 -1.122 1.00 0.00 N ATOM 731 CA LEU A 50 -5.831 3.984 -1.255 1.00 0.00 C ATOM 732 C LEU A 50 -5.227 2.580 -1.224 1.00 0.00 C ATOM 733 O LEU A 50 -4.015 2.425 -1.385 1.00 0.00 O ATOM 734 CB LEU A 50 -6.644 4.238 -2.544 1.00 0.00 C ATOM 735 CG LEU A 50 -6.257 3.458 -3.822 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.344 3.668 -4.873 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.908 3.889 -4.386 1.00 0.00 C ATOM 0 H LEU A 50 -3.953 4.733 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.522 4.068 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.689 4.020 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.581 5.302 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.169 2.404 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.083 3.123 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.296 3.301 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.430 4.731 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.686 3.309 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.941 4.949 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.131 3.717 -3.641 1.00 0.00 H new ATOM 749 N LYS A 51 -6.071 1.559 -1.061 1.00 0.00 N ATOM 750 CA LYS A 51 -5.698 0.158 -1.274 1.00 0.00 C ATOM 751 C LYS A 51 -6.405 -0.315 -2.545 1.00 0.00 C ATOM 752 O LYS A 51 -7.465 0.218 -2.886 1.00 0.00 O ATOM 753 CB LYS A 51 -6.034 -0.690 -0.030 1.00 0.00 C ATOM 754 CG LYS A 51 -7.525 -1.043 0.066 1.00 0.00 C ATOM 755 CD LYS A 51 -7.931 -1.867 1.290 1.00 0.00 C ATOM 756 CE LYS A 51 -7.773 -1.125 2.624 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.504 -1.840 3.690 1.00 0.00 N ATOM 0 H LYS A 51 -7.042 1.682 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.623 0.046 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.449 -1.609 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.736 -0.146 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.100 -0.117 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.808 -1.594 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.971 -2.175 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.330 -2.776 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.717 -1.049 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.153 -0.108 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.244 -1.444 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.528 -1.731 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.256 -2.850 3.664 1.00 0.00 H new ATOM 771 N ILE A 52 -5.871 -1.332 -3.217 1.00 0.00 N ATOM 772 CA ILE A 52 -6.551 -1.988 -4.334 1.00 0.00 C ATOM 773 C ILE A 52 -7.031 -3.332 -3.787 1.00 0.00 C ATOM 774 O ILE A 52 -6.287 -3.962 -3.038 1.00 0.00 O ATOM 775 CB ILE A 52 -5.607 -2.129 -5.556 1.00 0.00 C ATOM 776 CG1 ILE A 52 -5.003 -0.751 -5.934 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.336 -2.792 -6.744 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.222 -0.722 -7.252 1.00 0.00 C ATOM 0 H ILE A 52 -4.955 -1.726 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.396 -1.408 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.780 -2.786 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.811 -0.022 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.341 -0.429 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.652 -2.879 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.680 -3.784 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.192 -2.182 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.840 0.284 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.388 -1.422 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.881 -1.008 -8.072 1.00 0.00 H new ATOM 790 N VAL A 53 -8.224 -3.798 -4.163 1.00 0.00 N ATOM 791 CA VAL A 53 -8.749 -5.098 -3.745 1.00 0.00 C ATOM 792 C VAL A 53 -9.132 -5.860 -5.012 1.00 0.00 C ATOM 793 O VAL A 53 -10.104 -5.519 -5.686 1.00 0.00 O ATOM 794 CB VAL A 53 -9.938 -4.959 -2.764 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.361 -6.324 -2.204 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.629 -4.043 -1.571 1.00 0.00 C ATOM 0 H VAL A 53 -8.857 -3.279 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.989 -5.650 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.742 -4.516 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.198 -6.192 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.662 -6.976 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.523 -6.774 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.502 -3.986 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.785 -4.446 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.381 -3.045 -1.933 1.00 0.00 H new ATOM 806 N LYS A 54 -8.348 -6.878 -5.358 1.00 0.00 N ATOM 807 CA LYS A 54 -8.666 -7.785 -6.457 1.00 0.00 C ATOM 808 C LYS A 54 -9.798 -8.682 -5.965 1.00 0.00 C ATOM 809 O LYS A 54 -9.721 -9.172 -4.834 1.00 0.00 O ATOM 810 CB LYS A 54 -7.428 -8.630 -6.829 1.00 0.00 C ATOM 811 CG LYS A 54 -6.092 -7.866 -6.888 1.00 0.00 C ATOM 812 CD LYS A 54 -6.042 -6.723 -7.913 1.00 0.00 C ATOM 813 CE LYS A 54 -5.962 -7.187 -9.368 1.00 0.00 C ATOM 814 NZ LYS A 54 -4.760 -8.007 -9.675 1.00 0.00 N ATOM 0 H LYS A 54 -7.472 -7.097 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.963 -7.235 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.332 -9.438 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.605 -9.092 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.881 -7.457 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.296 -8.574 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.929 -6.101 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.179 -6.094 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.855 -7.766 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.969 -6.313 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.685 -8.141 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.910 -7.521 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.844 -8.934 -9.210 1.00 0.00 H new ATOM 828 N ILE A 55 -10.810 -8.941 -6.789 1.00 0.00 N ATOM 829 CA ILE A 55 -11.932 -9.795 -6.418 1.00 0.00 C ATOM 830 C ILE A 55 -12.430 -10.536 -7.673 1.00 0.00 C ATOM 831 O ILE A 55 -12.842 -9.927 -8.662 1.00 0.00 O ATOM 832 CB ILE A 55 -12.979 -8.957 -5.634 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.164 -9.846 -5.216 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.434 -7.669 -6.347 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.047 -9.230 -4.125 1.00 0.00 C ATOM 0 H ILE A 55 -10.874 -8.563 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.652 -10.587 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.475 -8.595 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.778 -10.053 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.781 -10.803 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.164 -7.149 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.573 -7.022 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.887 -7.924 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.860 -9.915 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.449 -9.049 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.461 -8.287 -4.482 1.00 0.00 H new ATOM 847 N ASP A 56 -12.293 -11.866 -7.672 1.00 0.00 N ATOM 848 CA ASP A 56 -12.628 -12.719 -8.817 1.00 0.00 C ATOM 849 C ASP A 56 -14.126 -13.009 -8.800 1.00 0.00 C ATOM 850 O ASP A 56 -14.612 -13.640 -7.856 1.00 0.00 O ATOM 851 CB ASP A 56 -11.832 -14.031 -8.745 1.00 0.00 C ATOM 852 CG ASP A 56 -12.188 -15.045 -9.853 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.983 -14.736 -10.769 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.632 -16.166 -9.804 1.00 0.00 O ATOM 0 H ASP A 56 -11.943 -12.386 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.368 -12.208 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.768 -13.802 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.004 -14.495 -7.774 1.00 0.00 H new ATOM 859 N VAL A 57 -14.868 -12.549 -9.810 1.00 0.00 N ATOM 860 CA VAL A 57 -16.321 -12.709 -9.870 1.00 0.00 C ATOM 861 C VAL A 57 -16.749 -14.182 -9.842 1.00 0.00 C ATOM 862 O VAL A 57 -17.837 -14.479 -9.348 1.00 0.00 O ATOM 863 CB VAL A 57 -16.924 -11.963 -11.083 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.640 -10.456 -10.993 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.444 -12.490 -12.444 1.00 0.00 C ATOM 0 H VAL A 57 -14.476 -12.054 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.725 -12.250 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 57 -17.996 -12.151 -11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.073 -9.952 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.082 -10.056 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.563 -10.289 -10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.912 -11.915 -13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.361 -12.390 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.718 -13.540 -12.545 1.00 0.00 H new ATOM 875 N ASP A 58 -15.899 -15.109 -10.303 1.00 0.00 N ATOM 876 CA ASP A 58 -16.209 -16.541 -10.364 1.00 0.00 C ATOM 877 C ASP A 58 -16.230 -17.199 -8.972 1.00 0.00 C ATOM 878 O ASP A 58 -16.532 -18.386 -8.844 1.00 0.00 O ATOM 879 CB ASP A 58 -15.220 -17.254 -11.297 1.00 0.00 C ATOM 880 CG ASP A 58 -15.626 -18.715 -11.571 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.748 -18.953 -12.075 1.00 0.00 O ATOM 882 OD2 ASP A 58 -14.804 -19.631 -11.335 1.00 0.00 O ATOM 0 H ASP A 58 -14.966 -14.882 -10.648 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.216 -16.642 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.159 -16.713 -12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.225 -17.233 -10.853 1.00 0.00 H new ATOM 887 N GLU A 59 -15.934 -16.431 -7.918 1.00 0.00 N ATOM 888 CA GLU A 59 -16.064 -16.842 -6.522 1.00 0.00 C ATOM 889 C GLU A 59 -16.803 -15.766 -5.704 1.00 0.00 C ATOM 890 O GLU A 59 -16.880 -15.874 -4.480 1.00 0.00 O ATOM 891 CB GLU A 59 -14.669 -17.129 -5.927 1.00 0.00 C ATOM 892 CG GLU A 59 -13.941 -18.300 -6.603 1.00 0.00 C ATOM 893 CD GLU A 59 -12.663 -18.684 -5.836 1.00 0.00 C ATOM 894 OE1 GLU A 59 -11.605 -18.043 -6.031 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.696 -19.649 -5.037 1.00 0.00 O ATOM 0 H GLU A 59 -15.587 -15.477 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.655 -17.757 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.055 -16.232 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.774 -17.343 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.607 -19.161 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.685 -18.029 -7.627 1.00 0.00 H new ATOM 902 N ASN A 60 -17.348 -14.725 -6.352 1.00 0.00 N ATOM 903 CA ASN A 60 -17.859 -13.520 -5.690 1.00 0.00 C ATOM 904 C ASN A 60 -19.122 -13.022 -6.376 1.00 0.00 C ATOM 905 O ASN A 60 -19.278 -11.833 -6.658 1.00 0.00 O ATOM 906 CB ASN A 60 -16.766 -12.446 -5.630 1.00 0.00 C ATOM 907 CG ASN A 60 -15.722 -12.847 -4.610 1.00 0.00 C ATOM 908 OD1 ASN A 60 -15.966 -12.756 -3.413 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.571 -13.326 -5.052 1.00 0.00 N ATOM 0 H ASN A 60 -17.446 -14.699 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.133 -13.765 -4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.305 -12.326 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.201 -11.483 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.858 -13.632 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.397 -13.390 -6.055 1.00 0.00 H new ATOM 916 N GLN A 61 -20.026 -13.956 -6.659 1.00 0.00 N ATOM 917 CA GLN A 61 -21.332 -13.677 -7.228 1.00 0.00 C ATOM 918 C GLN A 61 -22.076 -12.707 -6.303 1.00 0.00 C ATOM 919 O GLN A 61 -22.652 -11.718 -6.751 1.00 0.00 O ATOM 920 CB GLN A 61 -22.147 -14.980 -7.387 1.00 0.00 C ATOM 921 CG GLN A 61 -21.471 -16.147 -8.132 1.00 0.00 C ATOM 922 CD GLN A 61 -20.307 -16.857 -7.416 1.00 0.00 C ATOM 923 OE1 GLN A 61 -19.435 -17.411 -8.073 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.223 -16.877 -6.089 1.00 0.00 N ATOM 0 H GLN A 61 -19.863 -14.949 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.207 -13.232 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.423 -15.329 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -23.073 -14.738 -7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.234 -16.892 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.102 -15.771 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.940 -16.421 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.441 -17.349 -5.635 1.00 0.00 H new ATOM 933 N GLU A 62 -22.022 -12.993 -5.001 1.00 0.00 N ATOM 934 CA GLU A 62 -22.772 -12.313 -3.963 1.00 0.00 C ATOM 935 C GLU A 62 -22.274 -10.883 -3.754 1.00 0.00 C ATOM 936 O GLU A 62 -23.072 -10.006 -3.417 1.00 0.00 O ATOM 937 CB GLU A 62 -22.663 -13.110 -2.650 1.00 0.00 C ATOM 938 CG GLU A 62 -23.262 -14.528 -2.715 1.00 0.00 C ATOM 939 CD GLU A 62 -22.222 -15.626 -3.018 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.513 -15.536 -4.046 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.129 -16.601 -2.236 1.00 0.00 O ATOM 0 H GLU A 62 -21.428 -13.736 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.815 -12.255 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.612 -13.185 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.164 -12.553 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.748 -14.752 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.036 -14.551 -3.482 1.00 0.00 H new ATOM 948 N THR A 63 -20.980 -10.625 -3.957 1.00 0.00 N ATOM 949 CA THR A 63 -20.430 -9.285 -3.870 1.00 0.00 C ATOM 950 C THR A 63 -20.668 -8.544 -5.175 1.00 0.00 C ATOM 951 O THR A 63 -21.179 -7.433 -5.147 1.00 0.00 O ATOM 952 CB THR A 63 -18.929 -9.291 -3.531 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.456 -10.601 -3.281 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.652 -8.394 -2.326 1.00 0.00 C ATOM 0 H THR A 63 -20.292 -11.342 -4.185 1.00 0.00 H new ATOM 0 HA THR A 63 -20.943 -8.773 -3.056 1.00 0.00 H new ATOM 0 HB THR A 63 -18.394 -8.902 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.619 -10.555 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.586 -8.409 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.960 -7.374 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.212 -8.759 -1.465 1.00 0.00 H new ATOM 962 N ALA A 64 -20.342 -9.134 -6.326 1.00 0.00 N ATOM 963 CA ALA A 64 -20.432 -8.412 -7.585 1.00 0.00 C ATOM 964 C ALA A 64 -21.892 -8.034 -7.868 1.00 0.00 C ATOM 965 O ALA A 64 -22.197 -6.872 -8.149 1.00 0.00 O ATOM 966 CB ALA A 64 -19.830 -9.287 -8.689 1.00 0.00 C ATOM 0 H ALA A 64 -20.018 -10.098 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.868 -7.480 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.889 -8.762 -9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.787 -9.501 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.386 -10.222 -8.756 1.00 0.00 H new ATOM 972 N GLY A 65 -22.815 -8.982 -7.672 1.00 0.00 N ATOM 973 CA GLY A 65 -24.249 -8.763 -7.802 1.00 0.00 C ATOM 974 C GLY A 65 -24.783 -7.729 -6.808 1.00 0.00 C ATOM 975 O GLY A 65 -25.788 -7.079 -7.098 1.00 0.00 O ATOM 0 H GLY A 65 -22.576 -9.939 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.471 -8.433 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.771 -9.708 -7.652 1.00 0.00 H new ATOM 979 N LYS A 66 -24.096 -7.504 -5.678 1.00 0.00 N ATOM 980 CA LYS A 66 -24.453 -6.477 -4.696 1.00 0.00 C ATOM 981 C LYS A 66 -24.450 -5.080 -5.326 1.00 0.00 C ATOM 982 O LYS A 66 -25.205 -4.215 -4.880 1.00 0.00 O ATOM 983 CB LYS A 66 -23.476 -6.533 -3.505 1.00 0.00 C ATOM 984 CG LYS A 66 -24.156 -6.279 -2.155 1.00 0.00 C ATOM 985 CD LYS A 66 -23.152 -6.230 -0.989 1.00 0.00 C ATOM 986 CE LYS A 66 -22.161 -7.403 -0.881 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.804 -8.742 -0.834 1.00 0.00 N ATOM 0 H LYS A 66 -23.267 -8.039 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.464 -6.677 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.994 -7.511 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.689 -5.793 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.703 -5.337 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.888 -7.064 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.579 -5.307 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.715 -6.173 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.481 -7.369 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.556 -7.271 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.172 -9.414 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.702 -8.678 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.989 -9.072 -1.803 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.649 -4.876 -6.379 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.536 -3.614 -7.110 1.00 0.00 C ATOM 1003 C TYR A 67 -23.984 -3.784 -8.574 1.00 0.00 C ATOM 1004 O TYR A 67 -23.738 -2.908 -9.403 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.098 -3.069 -7.001 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.406 -3.372 -5.685 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.754 -2.680 -4.508 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.486 -4.434 -5.625 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.212 -3.072 -3.272 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.952 -4.841 -4.394 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.330 -4.177 -3.205 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.878 -4.631 -2.003 1.00 0.00 O ATOM 0 H TYR A 67 -23.045 -5.607 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.205 -2.880 -6.660 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.503 -3.486 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.121 -1.989 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.439 -1.846 -4.556 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.189 -4.939 -6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.468 -2.530 -2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.252 -5.662 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.941 -4.905 -2.088 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.629 -4.911 -8.906 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.102 -5.230 -10.249 1.00 0.00 C ATOM 1024 C GLY A 68 -23.976 -5.516 -11.247 1.00 0.00 C ATOM 1025 O GLY A 68 -24.200 -5.443 -12.457 1.00 0.00 O ATOM 0 H GLY A 68 -24.839 -5.641 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -25.758 -6.099 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.702 -4.399 -10.620 1.00 0.00 H new ATOM 1029 N VAL A 69 -22.770 -5.824 -10.769 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.628 -6.182 -11.601 1.00 0.00 C ATOM 1031 C VAL A 69 -21.731 -7.677 -11.911 1.00 0.00 C ATOM 1032 O VAL A 69 -21.929 -8.490 -11.008 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.315 -5.828 -10.860 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.063 -6.232 -11.655 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.231 -4.319 -10.578 1.00 0.00 C ATOM 0 H VAL A 69 -22.559 -5.831 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 69 -21.625 -5.625 -12.538 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.339 -6.391 -9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.171 -5.961 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.072 -7.309 -11.825 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.057 -5.713 -12.613 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.300 -4.098 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.259 -3.771 -11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.075 -4.017 -9.957 1.00 0.00 H new ATOM 1045 N MET A 70 -21.580 -8.041 -13.186 1.00 0.00 N ATOM 1046 CA MET A 70 -21.403 -9.425 -13.638 1.00 0.00 C ATOM 1047 C MET A 70 -20.636 -9.442 -14.976 1.00 0.00 C ATOM 1048 O MET A 70 -20.770 -10.362 -15.787 1.00 0.00 O ATOM 1049 CB MET A 70 -22.754 -10.182 -13.662 1.00 0.00 C ATOM 1050 CG MET A 70 -22.761 -11.308 -12.618 1.00 0.00 C ATOM 1051 SD MET A 70 -21.476 -12.578 -12.841 1.00 0.00 S ATOM 1052 CE MET A 70 -21.470 -13.318 -11.185 1.00 0.00 C ATOM 0 H MET A 70 -21.577 -7.367 -13.952 1.00 0.00 H new ATOM 0 HA MET A 70 -20.789 -9.975 -12.925 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.570 -9.488 -13.461 1.00 0.00 H new ATOM 0 HB3 MET A 70 -22.926 -10.598 -14.655 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.644 -10.865 -11.629 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.737 -11.794 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.733 -14.120 -11.148 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.216 -12.557 -10.447 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.458 -13.723 -10.964 1.00 0.00 H new ATOM 1062 N SER A 71 -19.813 -8.412 -15.198 1.00 0.00 N ATOM 1063 CA SER A 71 -18.954 -8.216 -16.352 1.00 0.00 C ATOM 1064 C SER A 71 -17.640 -7.641 -15.823 1.00 0.00 C ATOM 1065 O SER A 71 -17.627 -7.020 -14.755 1.00 0.00 O ATOM 1066 CB SER A 71 -19.617 -7.255 -17.352 1.00 0.00 C ATOM 1067 OG SER A 71 -20.911 -7.705 -17.733 1.00 0.00 O ATOM 0 H SER A 71 -19.730 -7.648 -14.528 1.00 0.00 H new ATOM 0 HA SER A 71 -18.777 -9.152 -16.882 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.693 -6.263 -16.908 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.989 -7.161 -18.238 1.00 0.00 H new ATOM 0 HG SER A 71 -21.304 -7.070 -18.368 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.536 -7.863 -16.536 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.184 -7.570 -16.067 1.00 0.00 C ATOM 1075 C ILE A 72 -14.302 -7.139 -17.257 1.00 0.00 C ATOM 1076 O ILE A 72 -14.649 -7.474 -18.395 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.588 -8.803 -15.337 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.272 -10.037 -16.215 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.399 -9.203 -14.093 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.449 -10.847 -16.774 1.00 0.00 C ATOM 0 H ILE A 72 -16.558 -8.260 -17.475 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.219 -6.748 -15.352 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.611 -8.439 -15.020 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.669 -9.701 -17.058 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.651 -10.713 -15.628 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.938 -10.071 -13.621 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.416 -8.373 -13.387 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.419 -9.450 -14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.069 -11.678 -17.368 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.049 -11.234 -15.950 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.067 -10.205 -17.402 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.166 -6.443 -17.040 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.747 -5.828 -15.787 1.00 0.00 C ATOM 1094 C PRO A 73 -13.692 -4.679 -15.442 1.00 0.00 C ATOM 1095 O PRO A 73 -14.030 -3.869 -16.309 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.316 -5.321 -16.006 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.187 -5.177 -17.521 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.180 -6.197 -18.077 1.00 0.00 C ATOM 0 HA PRO A 73 -12.775 -6.534 -14.957 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.151 -4.369 -15.502 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.582 -6.023 -15.610 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.429 -4.166 -17.848 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.171 -5.386 -17.856 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.658 -5.817 -18.980 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.670 -7.121 -18.351 1.00 0.00 H new ATOM 1106 N THR A 74 -14.076 -4.594 -14.172 1.00 0.00 N ATOM 1107 CA THR A 74 -14.947 -3.548 -13.666 1.00 0.00 C ATOM 1108 C THR A 74 -14.298 -3.025 -12.393 1.00 0.00 C ATOM 1109 O THR A 74 -14.027 -3.777 -11.454 1.00 0.00 O ATOM 1110 CB THR A 74 -16.371 -4.091 -13.470 1.00 0.00 C ATOM 1111 OG1 THR A 74 -16.910 -4.447 -14.726 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.301 -3.058 -12.827 1.00 0.00 C ATOM 0 H THR A 74 -13.784 -5.262 -13.458 1.00 0.00 H new ATOM 0 HA THR A 74 -15.060 -2.719 -14.365 1.00 0.00 H new ATOM 0 HB THR A 74 -16.302 -4.953 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 -16.912 -5.423 -14.816 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.296 -3.488 -12.709 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.910 -2.775 -11.850 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.360 -2.176 -13.464 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.004 -1.731 -12.391 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.384 -1.037 -11.283 1.00 0.00 C ATOM 1122 C LEU A 75 -14.502 -0.334 -10.533 1.00 0.00 C ATOM 1123 O LEU A 75 -15.315 0.356 -11.152 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.363 -0.012 -11.802 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.162 -0.605 -12.568 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.211 0.520 -12.989 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.383 -1.642 -11.751 1.00 0.00 C ATOM 0 H LEU A 75 -14.198 -1.123 -13.186 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.850 -1.730 -10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.879 0.690 -12.457 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.985 0.561 -10.955 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.568 -1.116 -13.441 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.364 0.097 -13.530 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.740 1.221 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.851 1.043 -12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.551 -2.022 -12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.999 -1.176 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.044 -2.466 -11.484 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.530 -0.473 -9.212 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.411 0.304 -8.349 1.00 0.00 C ATOM 1141 C LEU A 76 -14.491 1.117 -7.460 1.00 0.00 C ATOM 1142 O LEU A 76 -13.583 0.554 -6.845 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.329 -0.587 -7.488 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.738 -0.793 -8.064 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.740 -1.631 -9.344 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.637 -1.481 -7.032 1.00 0.00 C ATOM 0 H LEU A 76 -13.938 -1.132 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.077 0.926 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.855 -1.561 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.417 -0.145 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.117 0.200 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.763 -1.743 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.139 -1.134 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.319 -2.615 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.633 -1.621 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.214 -2.451 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.705 -0.861 -6.138 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.723 2.423 -7.381 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.057 3.245 -6.389 1.00 0.00 C ATOM 1160 C VAL A 77 -15.041 3.263 -5.228 1.00 0.00 C ATOM 1161 O VAL A 77 -16.219 3.589 -5.418 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.728 4.655 -6.916 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.794 5.372 -5.925 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.045 4.628 -8.294 1.00 0.00 C ATOM 0 H VAL A 77 -15.365 2.929 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.082 2.851 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.676 5.183 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.562 6.369 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.286 5.454 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.871 4.802 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.836 5.648 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.111 4.070 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.703 4.146 -9.017 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.563 2.899 -4.043 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.313 2.966 -2.799 1.00 0.00 C ATOM 1176 C LEU A 78 -14.565 3.910 -1.863 1.00 0.00 C ATOM 1177 O LEU A 78 -13.367 4.146 -2.034 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.499 1.575 -2.154 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.296 0.562 -3.007 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.361 -0.368 -3.790 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.223 -0.294 -2.135 1.00 0.00 C ATOM 0 H LEU A 78 -13.616 2.539 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.318 3.338 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.516 1.155 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.006 1.699 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.894 1.146 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.954 -1.068 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.732 0.224 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.732 -0.922 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.769 -0.996 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.630 -0.846 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.930 0.351 -1.613 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.256 4.436 -0.857 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.670 5.247 0.194 1.00 0.00 C ATOM 1195 C LYS A 79 -15.435 4.947 1.469 1.00 0.00 C ATOM 1196 O LYS A 79 -16.659 5.079 1.483 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.739 6.734 -0.191 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.932 7.617 0.775 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.887 9.066 0.267 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.827 9.884 1.019 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.666 11.235 0.433 1.00 0.00 N ATOM 0 H LYS A 79 -16.262 4.305 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.616 5.014 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.359 6.864 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.779 7.059 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.382 7.587 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.919 7.228 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.666 9.073 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.865 9.529 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.111 9.973 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.873 9.358 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.747 11.630 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.708 11.171 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.429 11.854 0.773 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.714 4.545 2.518 1.00 0.00 N ATOM 1216 CA ASP A 80 -15.234 4.311 3.868 1.00 0.00 C ATOM 1217 C ASP A 80 -16.562 3.525 3.882 1.00 0.00 C ATOM 1218 O ASP A 80 -17.486 3.832 4.638 1.00 0.00 O ATOM 1219 CB ASP A 80 -15.290 5.645 4.632 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.630 5.462 6.123 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -15.055 4.564 6.777 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -16.429 6.260 6.666 1.00 0.00 O ATOM 0 H ASP A 80 -13.712 4.366 2.448 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.544 3.653 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.329 6.151 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.036 6.292 4.170 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.674 2.515 3.012 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.757 1.541 3.033 1.00 0.00 C ATOM 1229 C GLY A 81 -18.884 1.823 2.042 1.00 0.00 C ATOM 1230 O GLY A 81 -19.882 1.102 2.058 1.00 0.00 O ATOM 0 H GLY A 81 -16.000 2.354 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.345 0.554 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.176 1.504 4.039 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.752 2.829 1.171 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.745 3.147 0.147 1.00 0.00 C ATOM 1236 C GLU A 82 -19.051 3.234 -1.204 1.00 0.00 C ATOM 1237 O GLU A 82 -17.922 3.712 -1.290 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.423 4.493 0.449 1.00 0.00 C ATOM 1239 CG GLU A 82 -21.265 4.508 1.730 1.00 0.00 C ATOM 1240 CD GLU A 82 -22.425 3.489 1.746 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -23.019 3.191 0.684 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -22.793 3.012 2.844 1.00 0.00 O ATOM 0 H GLU A 82 -17.943 3.450 1.160 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.504 2.365 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.655 5.263 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.061 4.761 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.613 4.310 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -21.675 5.508 1.868 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.725 2.793 -2.263 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.293 3.016 -3.637 1.00 0.00 C ATOM 1251 C VAL A 83 -19.436 4.513 -3.901 1.00 0.00 C ATOM 1252 O VAL A 83 -20.451 5.123 -3.549 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.122 2.159 -4.621 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -19.549 2.236 -6.044 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.179 0.678 -4.212 1.00 0.00 C ATOM 0 H VAL A 83 -20.595 2.266 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.257 2.711 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.130 2.574 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.153 1.623 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.564 3.271 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.523 1.869 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.774 0.123 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.169 0.270 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.635 0.590 -3.226 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.427 5.086 -4.547 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.419 6.471 -4.986 1.00 0.00 C ATOM 1267 C VAL A 84 -18.257 6.550 -6.505 1.00 0.00 C ATOM 1268 O VAL A 84 -18.675 7.556 -7.076 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.374 7.306 -4.212 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.622 7.252 -2.694 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.925 6.891 -4.506 1.00 0.00 C ATOM 0 H VAL A 84 -17.571 4.585 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.384 6.920 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.502 8.328 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.869 7.850 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.613 7.649 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.560 6.219 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.243 7.517 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.782 5.847 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.720 7.014 -5.569 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.739 5.506 -7.175 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.696 5.477 -8.641 1.00 0.00 C ATOM 1283 C GLU A 85 -17.647 4.046 -9.175 1.00 0.00 C ATOM 1284 O GLU A 85 -17.357 3.102 -8.437 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.495 6.296 -9.171 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.916 7.580 -9.903 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.563 7.331 -11.280 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.533 6.546 -11.374 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.125 7.951 -12.277 1.00 0.00 O ATOM 0 H GLU A 85 -17.348 4.678 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.616 5.935 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.845 6.558 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.910 5.674 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.618 8.130 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.040 8.216 -10.034 1.00 0.00 H new ATOM 1296 N THR A 86 -17.919 3.880 -10.469 1.00 0.00 N ATOM 1297 CA THR A 86 -17.847 2.618 -11.195 1.00 0.00 C ATOM 1298 C THR A 86 -17.372 2.909 -12.626 1.00 0.00 C ATOM 1299 O THR A 86 -17.847 3.858 -13.258 1.00 0.00 O ATOM 1300 CB THR A 86 -19.236 1.952 -11.166 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.623 1.703 -9.827 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.299 0.631 -11.941 1.00 0.00 C ATOM 0 H THR A 86 -18.208 4.657 -11.063 1.00 0.00 H new ATOM 0 HA THR A 86 -17.138 1.929 -10.736 1.00 0.00 H new ATOM 0 HB THR A 86 -19.915 2.652 -11.653 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.507 1.281 -9.815 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.306 0.219 -11.877 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.046 0.810 -12.986 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.590 -0.077 -11.512 1.00 0.00 H new ATOM 1310 N SER A 87 -16.470 2.073 -13.144 1.00 0.00 N ATOM 1311 CA SER A 87 -15.858 2.181 -14.464 1.00 0.00 C ATOM 1312 C SER A 87 -15.638 0.763 -15.007 1.00 0.00 C ATOM 1313 O SER A 87 -15.488 -0.178 -14.226 1.00 0.00 O ATOM 1314 CB SER A 87 -14.524 2.938 -14.344 1.00 0.00 C ATOM 1315 OG SER A 87 -14.696 4.225 -13.773 1.00 0.00 O ATOM 0 H SER A 87 -16.132 1.262 -12.626 1.00 0.00 H new ATOM 0 HA SER A 87 -16.502 2.733 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.832 2.359 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.072 3.036 -15.331 1.00 0.00 H new ATOM 0 HG SER A 87 -13.827 4.674 -13.712 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.615 0.583 -16.329 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.524 -0.733 -16.964 1.00 0.00 C ATOM 1323 C VAL A 88 -14.455 -0.658 -18.059 1.00 0.00 C ATOM 1324 O VAL A 88 -14.271 0.394 -18.683 1.00 0.00 O ATOM 1325 CB VAL A 88 -16.914 -1.156 -17.507 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -16.909 -2.582 -18.083 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.008 -1.106 -16.424 1.00 0.00 C ATOM 0 H VAL A 88 -15.659 1.354 -16.995 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.228 -1.499 -16.248 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.133 -0.435 -18.294 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -17.905 -2.830 -18.450 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.195 -2.640 -18.905 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.623 -3.288 -17.303 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -18.961 -1.411 -16.855 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.745 -1.782 -15.610 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.093 -0.090 -16.039 1.00 0.00 H new ATOM 1337 N GLY A 89 -13.760 -1.768 -18.302 1.00 0.00 N ATOM 1338 CA GLY A 89 -12.761 -1.885 -19.353 1.00 0.00 C ATOM 1339 C GLY A 89 -11.434 -1.230 -18.970 1.00 0.00 C ATOM 1340 O GLY A 89 -11.290 -0.637 -17.897 1.00 0.00 O ATOM 0 H GLY A 89 -13.881 -2.625 -17.762 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.592 -2.939 -19.575 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.141 -1.424 -20.265 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.454 -1.354 -19.868 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.118 -0.784 -19.718 1.00 0.00 C ATOM 1346 C PHE A 90 -9.192 0.740 -19.561 1.00 0.00 C ATOM 1347 O PHE A 90 -10.069 1.387 -20.143 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.282 -1.183 -20.945 1.00 0.00 C ATOM 1349 CG PHE A 90 -6.813 -0.811 -20.865 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.372 0.448 -21.319 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -5.880 -1.735 -20.356 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.009 0.786 -21.255 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -4.515 -1.403 -20.309 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.079 -0.143 -20.754 1.00 0.00 C ATOM 0 H PHE A 90 -10.573 -1.867 -20.741 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.644 -1.172 -18.816 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.362 -2.261 -21.086 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.713 -0.713 -21.829 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.084 1.156 -21.718 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.213 -2.699 -20.002 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.676 1.757 -21.590 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.799 -2.118 -19.930 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.030 0.112 -20.711 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.263 1.322 -18.798 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.029 2.764 -18.703 1.00 0.00 C ATOM 1366 C LYS A 91 -6.574 2.972 -18.267 1.00 0.00 C ATOM 1367 O LYS A 91 -6.059 2.123 -17.536 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.018 3.407 -17.708 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.039 4.293 -18.445 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.399 4.372 -17.742 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.187 3.047 -17.743 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.473 2.534 -19.106 1.00 0.00 N ATOM 0 H LYS A 91 -7.630 0.781 -18.208 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.194 3.246 -19.666 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.540 2.628 -17.153 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.470 4.005 -16.979 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.631 5.299 -18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.182 3.906 -19.454 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.245 4.690 -16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.002 5.141 -18.226 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.622 2.296 -17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.128 3.192 -17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.182 1.775 -19.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.839 3.307 -19.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.598 2.160 -19.527 1.00 0.00 H new ATOM 1386 N PRO A 92 -5.904 4.053 -18.702 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.505 4.296 -18.374 1.00 0.00 C ATOM 1388 C PRO A 92 -4.343 4.741 -16.916 1.00 0.00 C ATOM 1389 O PRO A 92 -5.262 5.297 -16.306 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.041 5.374 -19.360 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.317 6.162 -19.651 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.410 5.096 -19.585 1.00 0.00 C ATOM 0 HA PRO A 92 -3.902 3.392 -18.464 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.267 6.008 -18.927 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.624 4.936 -20.267 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.479 6.951 -18.916 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.280 6.641 -20.630 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.340 5.515 -19.201 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.626 4.697 -20.576 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.135 4.554 -16.371 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.806 4.883 -14.987 1.00 0.00 C ATOM 1402 C LYS A 93 -2.995 6.370 -14.701 1.00 0.00 C ATOM 1403 O LYS A 93 -3.385 6.714 -13.594 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.367 4.413 -14.711 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.904 4.557 -13.248 1.00 0.00 C ATOM 1406 CD LYS A 93 0.373 5.401 -13.131 1.00 0.00 C ATOM 1407 CE LYS A 93 0.083 6.882 -13.411 1.00 0.00 C ATOM 1408 NZ LYS A 93 1.300 7.724 -13.388 1.00 0.00 N ATOM 0 H LYS A 93 -2.349 4.163 -16.891 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.488 4.367 -14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.281 3.366 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.688 4.978 -15.349 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.698 5.017 -12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.726 3.568 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.794 5.292 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.121 5.034 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.398 6.975 -14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.624 7.255 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.058 8.692 -13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.691 7.743 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.007 7.330 -14.041 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.722 7.262 -15.657 1.00 0.00 N ATOM 1423 CA GLU A 94 -2.872 8.702 -15.442 1.00 0.00 C ATOM 1424 C GLU A 94 -4.329 9.091 -15.198 1.00 0.00 C ATOM 1425 O GLU A 94 -4.620 9.874 -14.291 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.303 9.485 -16.640 1.00 0.00 C ATOM 1427 CG GLU A 94 -0.769 9.504 -16.688 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.165 10.424 -15.613 1.00 0.00 C ATOM 1429 OE1 GLU A 94 0.039 11.630 -15.882 1.00 0.00 O ATOM 1430 OE2 GLU A 94 0.128 9.936 -14.499 1.00 0.00 O ATOM 0 H GLU A 94 -2.395 7.010 -16.590 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.308 8.961 -14.546 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.682 9.046 -17.563 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.670 10.511 -16.600 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.390 8.491 -16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.442 9.836 -17.673 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.248 8.516 -15.972 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.671 8.756 -15.815 1.00 0.00 C ATOM 1439 C ALA A 95 -7.174 8.135 -14.515 1.00 0.00 C ATOM 1440 O ALA A 95 -7.942 8.749 -13.778 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.398 8.134 -17.002 1.00 0.00 C ATOM 0 H ALA A 95 -5.020 7.869 -16.727 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.861 9.829 -15.777 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.470 8.304 -16.902 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.043 8.590 -17.926 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.202 7.062 -17.028 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.727 6.913 -14.224 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.154 6.182 -13.047 1.00 0.00 C ATOM 1449 C LEU A 96 -6.633 6.852 -11.776 1.00 0.00 C ATOM 1450 O LEU A 96 -7.389 6.979 -10.813 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.693 4.724 -13.174 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.152 3.817 -12.019 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.672 3.819 -11.800 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.687 2.389 -12.327 1.00 0.00 C ATOM 0 H LEU A 96 -6.057 6.407 -14.804 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.242 6.191 -12.974 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.068 4.316 -14.113 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.605 4.702 -13.229 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.711 4.204 -11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.921 3.158 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.005 4.831 -11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.170 3.470 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.000 1.723 -11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.130 2.057 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.600 2.370 -12.412 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.382 7.336 -11.766 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.882 8.062 -10.607 1.00 0.00 C ATOM 1468 C GLN A 97 -5.618 9.383 -10.478 1.00 0.00 C ATOM 1469 O GLN A 97 -5.819 9.817 -9.354 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.349 8.227 -10.564 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.745 9.281 -11.498 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.900 10.740 -11.061 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.525 11.130 -9.960 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.444 11.579 -11.929 1.00 0.00 N ATOM 0 H GLN A 97 -4.717 7.237 -12.533 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.094 7.448 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.062 8.473 -9.542 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.896 7.264 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.682 9.069 -11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.200 9.168 -12.482 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.751 11.241 -12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.556 12.563 -11.686 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.038 10.011 -11.580 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.749 11.278 -11.511 1.00 0.00 C ATOM 1485 C GLU A 98 -8.115 11.055 -10.864 1.00 0.00 C ATOM 1486 O GLU A 98 -8.514 11.807 -9.977 1.00 0.00 O ATOM 1487 CB GLU A 98 -6.865 11.904 -12.911 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.590 13.256 -12.916 1.00 0.00 C ATOM 1489 CD GLU A 98 -6.751 14.402 -12.314 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.230 14.262 -11.185 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -6.621 15.459 -12.973 1.00 0.00 O ATOM 0 H GLU A 98 -5.895 9.658 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.193 11.983 -10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.866 12.034 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.395 11.213 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.859 13.512 -13.941 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.520 13.163 -12.356 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.802 9.984 -11.267 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.076 9.584 -10.687 1.00 0.00 C ATOM 1500 C LEU A 99 -9.913 9.374 -9.181 1.00 0.00 C ATOM 1501 O LEU A 99 -10.641 9.973 -8.390 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.580 8.314 -11.399 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.957 7.826 -10.913 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.052 8.859 -11.200 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.308 6.504 -11.608 1.00 0.00 C ATOM 0 H LEU A 99 -8.482 9.367 -12.013 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.822 10.366 -10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.632 8.508 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.852 7.516 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.902 7.680 -9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.011 8.482 -10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.816 9.791 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.109 9.040 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.283 6.159 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.338 6.657 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.553 5.755 -11.368 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.925 8.573 -8.776 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.626 8.310 -7.370 1.00 0.00 C ATOM 1519 C VAL A 100 -8.312 9.619 -6.634 1.00 0.00 C ATOM 1520 O VAL A 100 -8.880 9.884 -5.578 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.474 7.284 -7.292 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.826 7.207 -5.901 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.987 5.890 -7.690 1.00 0.00 C ATOM 0 H VAL A 100 -8.305 8.085 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.493 7.881 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.707 7.625 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.025 6.468 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.417 8.182 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.576 6.916 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.169 5.171 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.784 5.588 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.372 5.921 -8.709 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.435 10.444 -7.201 1.00 0.00 N ATOM 1534 CA ASN A 101 -6.943 11.700 -6.648 1.00 0.00 C ATOM 1535 C ASN A 101 -8.101 12.652 -6.357 1.00 0.00 C ATOM 1536 O ASN A 101 -8.191 13.199 -5.259 1.00 0.00 O ATOM 1537 CB ASN A 101 -5.953 12.293 -7.658 1.00 0.00 C ATOM 1538 CG ASN A 101 -5.599 13.749 -7.423 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -5.338 14.185 -6.307 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -5.565 14.514 -8.498 1.00 0.00 N ATOM 0 H ASN A 101 -7.026 10.240 -8.113 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.438 11.533 -5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.037 11.703 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.373 12.193 -8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.316 15.500 -8.415 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.788 14.120 -9.412 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.029 12.798 -7.305 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.253 13.576 -7.110 1.00 0.00 C ATOM 1549 C LYS A 102 -11.107 13.041 -5.952 1.00 0.00 C ATOM 1550 O LYS A 102 -11.748 13.843 -5.271 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.068 13.611 -8.413 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.433 14.534 -9.466 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.200 14.461 -10.793 1.00 0.00 C ATOM 1554 CE LYS A 102 -10.602 15.451 -11.802 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.321 15.433 -13.101 1.00 0.00 N ATOM 0 H LYS A 102 -8.952 12.379 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.957 14.590 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.149 12.602 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.081 13.950 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.429 15.561 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.393 14.248 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.154 13.448 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.253 14.690 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.636 16.457 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.552 15.209 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.882 16.117 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.268 14.480 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.317 15.689 -12.950 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.137 11.725 -5.716 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.927 11.132 -4.633 1.00 0.00 C ATOM 1571 C HIS A 103 -11.245 11.208 -3.260 1.00 0.00 C ATOM 1572 O HIS A 103 -11.942 11.038 -2.256 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.291 9.672 -4.949 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.363 9.537 -5.998 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.666 9.980 -5.905 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.238 8.911 -7.206 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.302 9.631 -7.037 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.469 8.977 -7.865 1.00 0.00 N ATOM 0 H HIS A 103 -10.616 11.044 -6.268 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.834 11.734 -4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.397 9.147 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.624 9.182 -4.034 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.074 10.483 -5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.341 8.445 -7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.338 9.846 -7.251 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.927 11.433 -3.180 1.00 0.00 N ATOM 1587 CA LEU A 104 -9.212 11.547 -1.903 1.00 0.00 C ATOM 1588 C LEU A 104 -9.846 12.633 -1.040 1.00 0.00 C ATOM 1589 O LEU A 104 -10.021 13.770 -1.527 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.712 11.832 -2.087 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.903 10.757 -2.834 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.431 11.170 -2.882 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -7.024 9.360 -2.215 1.00 0.00 C ATOM 1594 OXT LEU A 104 -10.154 12.345 0.135 1.00 0.00 O ATOM 0 H LEU A 104 -9.327 11.541 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.298 10.582 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.606 12.775 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.267 11.973 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.322 10.690 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.857 10.409 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.337 12.123 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.049 11.272 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.428 8.653 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.662 9.385 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.068 9.047 -2.224 1.00 0.00 H new