USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0469 (180deg=-0.692) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -16:sc= -0.272 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= -0.214 (180deg=-0.271) USER MOD Single : A 14 MET CE :methyl 137:sc= -1.84 (180deg=-5.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -160:sc=-0.00695 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-0.19) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.684 K(o=-0.68,f=-3!) USER MOD Single : A 44 MET CE :methyl -155:sc= -0.0657 (180deg=-0.911) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -150:sc= -2.81! USER MOD Single : A 63 SER OG : rot -23:sc= -0.137 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 5.317 5.231 10.003 1.00 0.00 N ATOM 34 CA LYS A 4 5.233 4.488 8.757 1.00 0.00 C ATOM 35 C LYS A 4 5.714 5.376 7.607 1.00 0.00 C ATOM 36 O LYS A 4 5.249 5.240 6.476 1.00 0.00 O ATOM 37 CB LYS A 4 3.821 3.935 8.556 1.00 0.00 C ATOM 38 CG LYS A 4 3.778 2.431 8.833 1.00 0.00 C ATOM 39 CD LYS A 4 4.637 1.663 7.826 1.00 0.00 C ATOM 40 CE LYS A 4 5.307 0.456 8.486 1.00 0.00 C ATOM 41 NZ LYS A 4 4.321 -0.625 8.711 1.00 0.00 N ATOM 0 HA LYS A 4 5.889 3.618 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.127 4.451 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.492 4.130 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.133 2.234 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.748 2.078 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.017 1.330 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.398 2.325 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.117 0.092 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.752 0.754 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.812 -1.541 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.825 -0.461 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.632 -0.634 7.932 1.00 0.00 H new ATOM 51 N ILE A 5 6.642 6.264 7.934 1.00 0.00 N ATOM 52 CA ILE A 5 7.191 7.173 6.943 1.00 0.00 C ATOM 53 C ILE A 5 7.912 6.366 5.862 1.00 0.00 C ATOM 54 O ILE A 5 7.988 6.793 4.710 1.00 0.00 O ATOM 55 CB ILE A 5 8.074 8.227 7.614 1.00 0.00 C ATOM 56 CG1 ILE A 5 7.823 9.613 7.017 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.551 7.832 7.544 1.00 0.00 C ATOM 58 CD1 ILE A 5 8.718 9.856 5.801 1.00 0.00 C ATOM 0 H ILE A 5 7.027 6.373 8.872 1.00 0.00 H new ATOM 0 HA ILE A 5 6.392 7.726 6.450 1.00 0.00 H new ATOM 0 HB ILE A 5 7.804 8.276 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.776 9.704 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.012 10.377 7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.156 8.599 8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.697 6.879 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.853 7.737 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.520 10.848 5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.764 9.789 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.509 9.105 5.040 1.00 0.00 H new ATOM 69 N GLY A 6 8.422 5.214 6.270 1.00 0.00 N ATOM 70 CA GLY A 6 9.134 4.342 5.349 1.00 0.00 C ATOM 71 C GLY A 6 8.177 3.721 4.331 1.00 0.00 C ATOM 72 O GLY A 6 8.208 4.067 3.152 1.00 0.00 O ATOM 0 H GLY A 6 8.357 4.863 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.906 4.909 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.639 3.553 5.907 1.00 0.00 H new ATOM 76 N LEU A 7 7.348 2.813 4.825 1.00 0.00 N ATOM 77 CA LEU A 7 6.382 2.139 3.973 1.00 0.00 C ATOM 78 C LEU A 7 5.543 3.184 3.234 1.00 0.00 C ATOM 79 O LEU A 7 5.227 3.012 2.059 1.00 0.00 O ATOM 80 CB LEU A 7 5.550 1.145 4.787 1.00 0.00 C ATOM 81 CG LEU A 7 5.630 -0.317 4.345 1.00 0.00 C ATOM 82 CD1 LEU A 7 7.045 -0.870 4.531 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.582 -1.167 5.068 1.00 0.00 C ATOM 0 H LEU A 7 7.325 2.528 5.804 1.00 0.00 H new ATOM 0 HA LEU A 7 6.892 1.545 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.864 1.206 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.507 1.459 4.750 1.00 0.00 H new ATOM 0 HG LEU A 7 5.404 -0.364 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.074 -1.911 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.745 -0.286 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.325 -0.807 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.661 -2.202 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.752 -1.118 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.586 -0.787 4.841 1.00 0.00 H new ATOM 94 N LYS A 8 5.207 4.243 3.955 1.00 0.00 N ATOM 95 CA LYS A 8 4.411 5.316 3.384 1.00 0.00 C ATOM 96 C LYS A 8 5.157 5.918 2.191 1.00 0.00 C ATOM 97 O LYS A 8 4.579 6.099 1.121 1.00 0.00 O ATOM 98 CB LYS A 8 4.040 6.339 4.458 1.00 0.00 C ATOM 99 CG LYS A 8 3.216 7.484 3.864 1.00 0.00 C ATOM 100 CD LYS A 8 4.116 8.496 3.152 1.00 0.00 C ATOM 101 CE LYS A 8 4.002 9.879 3.795 1.00 0.00 C ATOM 102 NZ LYS A 8 3.907 10.928 2.755 1.00 0.00 N ATOM 0 H LYS A 8 5.472 4.381 4.930 1.00 0.00 H new ATOM 0 HA LYS A 8 3.464 4.929 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.472 5.850 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.946 6.737 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.485 7.084 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.657 7.983 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.151 8.157 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.839 8.557 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.123 9.916 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.869 10.064 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.830 11.861 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.758 10.903 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.066 10.759 2.167 1.00 0.00 H new ATOM 112 N VAL A 9 6.429 6.212 2.417 1.00 0.00 N ATOM 113 CA VAL A 9 7.260 6.790 1.374 1.00 0.00 C ATOM 114 C VAL A 9 7.171 5.922 0.118 1.00 0.00 C ATOM 115 O VAL A 9 6.848 6.418 -0.961 1.00 0.00 O ATOM 116 CB VAL A 9 8.693 6.962 1.882 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.690 6.956 0.722 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.830 8.237 2.716 1.00 0.00 C ATOM 0 H VAL A 9 6.904 6.061 3.307 1.00 0.00 H new ATOM 0 HA VAL A 9 6.902 7.785 1.108 1.00 0.00 H new ATOM 0 HB VAL A 9 8.924 6.114 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.701 7.080 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.620 6.009 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.460 7.775 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.858 8.335 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.570 9.101 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.159 8.184 3.574 1.00 0.00 H new ATOM 128 N LEU A 10 7.464 4.643 0.298 1.00 0.00 N ATOM 129 CA LEU A 10 7.420 3.702 -0.808 1.00 0.00 C ATOM 130 C LEU A 10 6.028 3.730 -1.442 1.00 0.00 C ATOM 131 O LEU A 10 5.877 4.122 -2.598 1.00 0.00 O ATOM 132 CB LEU A 10 7.858 2.310 -0.345 1.00 0.00 C ATOM 133 CG LEU A 10 9.367 2.066 -0.287 1.00 0.00 C ATOM 134 CD1 LEU A 10 9.892 2.215 1.142 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.725 0.707 -0.891 1.00 0.00 C ATOM 0 H LEU A 10 7.733 4.236 1.194 1.00 0.00 H new ATOM 0 HA LEU A 10 8.129 3.992 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.443 2.132 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.416 1.571 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 10 9.860 2.827 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.967 2.036 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.687 3.223 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.396 1.491 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.803 0.558 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.221 -0.083 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.406 0.676 -1.933 1.00 0.00 H new ATOM 146 N TYR A 11 5.047 3.308 -0.658 1.00 0.00 N ATOM 147 CA TYR A 11 3.672 3.280 -1.129 1.00 0.00 C ATOM 148 C TYR A 11 3.326 4.563 -1.887 1.00 0.00 C ATOM 149 O TYR A 11 2.808 4.509 -3.002 1.00 0.00 O ATOM 150 CB TYR A 11 2.800 3.191 0.125 1.00 0.00 C ATOM 151 CG TYR A 11 1.534 4.048 0.064 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.791 4.100 -1.098 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.136 4.770 1.169 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.400 4.906 -1.156 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.056 5.578 1.112 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.765 5.605 -0.047 1.00 0.00 C ATOM 157 OH TYR A 11 -1.890 6.367 -0.102 1.00 0.00 O ATOM 0 H TYR A 11 5.177 2.983 0.300 1.00 0.00 H new ATOM 0 HA TYR A 11 3.515 2.442 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.515 2.151 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.391 3.495 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.103 3.536 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.718 4.730 2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.990 4.955 -2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.378 6.149 1.970 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.149 6.500 -1.038 1.00 0.00 H new ATOM 166 N LYS A 12 3.626 5.686 -1.252 1.00 0.00 N ATOM 167 CA LYS A 12 3.353 6.981 -1.853 1.00 0.00 C ATOM 168 C LYS A 12 4.107 7.091 -3.180 1.00 0.00 C ATOM 169 O LYS A 12 3.620 7.712 -4.124 1.00 0.00 O ATOM 170 CB LYS A 12 3.674 8.107 -0.868 1.00 0.00 C ATOM 171 CG LYS A 12 4.014 9.402 -1.609 1.00 0.00 C ATOM 172 CD LYS A 12 5.426 9.344 -2.195 1.00 0.00 C ATOM 173 CE LYS A 12 6.192 10.637 -1.909 1.00 0.00 C ATOM 174 NZ LYS A 12 7.421 10.705 -2.733 1.00 0.00 N ATOM 0 H LYS A 12 4.055 5.727 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 12 2.291 7.080 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.821 8.273 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.512 7.814 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.291 9.568 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.934 10.248 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.965 8.497 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.370 9.180 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.557 11.497 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.453 10.686 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.884 11.625 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.070 9.943 -2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.172 10.595 -3.737 1.00 0.00 H new ATOM 184 N LEU A 13 5.281 6.480 -3.210 1.00 0.00 N ATOM 185 CA LEU A 13 6.106 6.502 -4.406 1.00 0.00 C ATOM 186 C LEU A 13 5.473 5.607 -5.474 1.00 0.00 C ATOM 187 O LEU A 13 4.971 6.099 -6.483 1.00 0.00 O ATOM 188 CB LEU A 13 7.550 6.127 -4.068 1.00 0.00 C ATOM 189 CG LEU A 13 8.636 6.851 -4.867 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.369 6.750 -6.370 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.780 8.302 -4.407 1.00 0.00 C ATOM 0 H LEU A 13 5.681 5.966 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 13 6.151 7.510 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.716 6.321 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.671 5.054 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 13 9.588 6.357 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.155 7.273 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.356 5.702 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.405 7.204 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.558 8.793 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.834 8.825 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.050 8.324 -3.351 1.00 0.00 H new ATOM 202 N MET A 14 5.518 4.309 -5.215 1.00 0.00 N ATOM 203 CA MET A 14 4.954 3.341 -6.141 1.00 0.00 C ATOM 204 C MET A 14 3.537 3.740 -6.557 1.00 0.00 C ATOM 205 O MET A 14 3.185 3.659 -7.732 1.00 0.00 O ATOM 206 CB MET A 14 4.923 1.961 -5.481 1.00 0.00 C ATOM 207 CG MET A 14 4.092 1.986 -4.198 1.00 0.00 C ATOM 208 SD MET A 14 4.292 0.450 -3.310 1.00 0.00 S ATOM 209 CE MET A 14 6.031 0.544 -2.917 1.00 0.00 C ATOM 0 H MET A 14 5.936 3.904 -4.377 1.00 0.00 H new ATOM 0 HA MET A 14 5.580 3.313 -7.033 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.505 1.231 -6.175 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.939 1.640 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.402 2.821 -3.570 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.040 2.142 -4.439 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.189 0.227 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.591 -0.108 -3.587 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.376 1.571 -3.038 1.00 0.00 H new ATOM 217 N ASP A 15 2.762 4.163 -5.569 1.00 0.00 N ATOM 218 CA ASP A 15 1.392 4.576 -5.818 1.00 0.00 C ATOM 219 C ASP A 15 1.337 5.401 -7.106 1.00 0.00 C ATOM 220 O ASP A 15 1.602 6.602 -7.090 1.00 0.00 O ATOM 221 CB ASP A 15 0.862 5.447 -4.676 1.00 0.00 C ATOM 222 CG ASP A 15 -0.505 6.085 -4.931 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.132 5.700 -5.940 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.890 6.946 -4.110 1.00 0.00 O ATOM 0 H ASP A 15 3.057 4.228 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 15 0.780 3.678 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.800 4.839 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.584 6.239 -4.477 1.00 0.00 H new ATOM 228 N VAL A 16 0.993 4.723 -8.190 1.00 0.00 N ATOM 229 CA VAL A 16 0.900 5.378 -9.484 1.00 0.00 C ATOM 230 C VAL A 16 -0.567 5.444 -9.915 1.00 0.00 C ATOM 231 O VAL A 16 -1.157 6.522 -9.959 1.00 0.00 O ATOM 232 CB VAL A 16 1.789 4.657 -10.500 1.00 0.00 C ATOM 233 CG1 VAL A 16 1.447 5.086 -11.929 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.269 4.893 -10.197 1.00 0.00 C ATOM 0 H VAL A 16 0.775 3.727 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 16 1.266 6.403 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 16 1.596 3.588 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.093 4.559 -12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.406 4.844 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.599 6.160 -12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.879 4.370 -10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.484 5.961 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.501 4.517 -9.201 1.00 0.00 H new ATOM 244 N ASP A 17 -1.114 4.276 -10.219 1.00 0.00 N ATOM 245 CA ASP A 17 -2.501 4.188 -10.644 1.00 0.00 C ATOM 246 C ASP A 17 -3.375 5.004 -9.690 1.00 0.00 C ATOM 247 O ASP A 17 -4.029 5.959 -10.105 1.00 0.00 O ATOM 248 CB ASP A 17 -2.994 2.739 -10.615 1.00 0.00 C ATOM 249 CG ASP A 17 -4.466 2.565 -10.236 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.742 2.566 -9.017 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.282 2.435 -11.173 1.00 0.00 O ATOM 0 H ASP A 17 -0.622 3.383 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.567 4.572 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.833 2.296 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.383 2.177 -9.908 1.00 0.00 H new ATOM 255 N GLY A 18 -3.358 4.598 -8.429 1.00 0.00 N ATOM 256 CA GLY A 18 -4.141 5.280 -7.413 1.00 0.00 C ATOM 257 C GLY A 18 -3.772 6.763 -7.339 1.00 0.00 C ATOM 258 O GLY A 18 -4.627 7.607 -7.080 1.00 0.00 O ATOM 0 H GLY A 18 -2.814 3.805 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.203 5.177 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.973 4.811 -6.444 1.00 0.00 H new ATOM 262 N ASP A 19 -2.496 7.034 -7.571 1.00 0.00 N ATOM 263 CA ASP A 19 -2.002 8.400 -7.535 1.00 0.00 C ATOM 264 C ASP A 19 -2.496 9.082 -6.257 1.00 0.00 C ATOM 265 O ASP A 19 -2.597 10.307 -6.203 1.00 0.00 O ATOM 266 CB ASP A 19 -2.519 9.204 -8.730 1.00 0.00 C ATOM 267 CG ASP A 19 -3.399 8.420 -9.705 1.00 0.00 C ATOM 268 OD1 ASP A 19 -4.595 8.253 -9.380 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.857 8.007 -10.753 1.00 0.00 O ATOM 0 H ASP A 19 -1.789 6.330 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.913 8.366 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.087 10.056 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.665 9.604 -9.276 1.00 0.00 H new ATOM 273 N GLY A 20 -2.791 8.259 -5.261 1.00 0.00 N ATOM 274 CA GLY A 20 -3.272 8.768 -3.989 1.00 0.00 C ATOM 275 C GLY A 20 -3.450 7.633 -2.977 1.00 0.00 C ATOM 276 O GLY A 20 -2.737 7.572 -1.977 1.00 0.00 O ATOM 0 H GLY A 20 -2.706 7.244 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.568 9.502 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.222 9.283 -4.135 1.00 0.00 H new ATOM 280 N LYS A 21 -4.405 6.764 -3.272 1.00 0.00 N ATOM 281 CA LYS A 21 -4.685 5.635 -2.401 1.00 0.00 C ATOM 282 C LYS A 21 -3.962 4.395 -2.932 1.00 0.00 C ATOM 283 O LYS A 21 -3.729 4.275 -4.134 1.00 0.00 O ATOM 284 CB LYS A 21 -6.195 5.445 -2.240 1.00 0.00 C ATOM 285 CG LYS A 21 -6.855 5.134 -3.584 1.00 0.00 C ATOM 286 CD LYS A 21 -8.071 6.032 -3.818 1.00 0.00 C ATOM 287 CE LYS A 21 -7.770 7.096 -4.876 1.00 0.00 C ATOM 288 NZ LYS A 21 -8.666 8.263 -4.708 1.00 0.00 N ATOM 0 H LYS A 21 -4.995 6.819 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.302 5.823 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.390 4.634 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.635 6.347 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.134 5.275 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.160 4.088 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.919 5.426 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.357 6.514 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.730 7.414 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.897 6.673 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.448 8.975 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.655 7.958 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.525 8.676 -3.764 1.00 0.00 H new ATOM 298 N LEU A 22 -3.628 3.505 -2.010 1.00 0.00 N ATOM 299 CA LEU A 22 -2.937 2.278 -2.370 1.00 0.00 C ATOM 300 C LEU A 22 -3.959 1.153 -2.542 1.00 0.00 C ATOM 301 O LEU A 22 -4.314 0.479 -1.576 1.00 0.00 O ATOM 302 CB LEU A 22 -1.840 1.962 -1.351 1.00 0.00 C ATOM 303 CG LEU A 22 -0.596 1.260 -1.900 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.134 1.907 -3.206 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.519 1.222 -0.852 1.00 0.00 C ATOM 0 H LEU A 22 -3.823 3.609 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.428 2.395 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.529 2.895 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.269 1.338 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.858 0.227 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.751 1.390 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.930 1.838 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.106 2.955 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.392 0.718 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.788 2.240 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.172 0.681 0.029 1.00 0.00 H new ATOM 316 N THR A 23 -4.403 0.985 -3.778 1.00 0.00 N ATOM 317 CA THR A 23 -5.378 -0.047 -4.090 1.00 0.00 C ATOM 318 C THR A 23 -4.672 -1.339 -4.506 1.00 0.00 C ATOM 319 O THR A 23 -3.493 -1.321 -4.856 1.00 0.00 O ATOM 320 CB THR A 23 -6.323 0.502 -5.160 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.686 0.166 -6.390 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.371 2.031 -5.170 1.00 0.00 C ATOM 0 H THR A 23 -4.106 1.546 -4.576 1.00 0.00 H new ATOM 0 HA THR A 23 -5.973 -0.307 -3.214 1.00 0.00 H new ATOM 0 HB THR A 23 -7.326 0.109 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.232 0.484 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.056 2.368 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.717 2.391 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.374 2.425 -5.369 1.00 0.00 H new ATOM 330 N LYS A 24 -5.423 -2.429 -4.455 1.00 0.00 N ATOM 331 CA LYS A 24 -4.885 -3.728 -4.823 1.00 0.00 C ATOM 332 C LYS A 24 -4.308 -3.653 -6.238 1.00 0.00 C ATOM 333 O LYS A 24 -3.098 -3.770 -6.426 1.00 0.00 O ATOM 334 CB LYS A 24 -5.945 -4.816 -4.648 1.00 0.00 C ATOM 335 CG LYS A 24 -5.313 -6.209 -4.698 1.00 0.00 C ATOM 336 CD LYS A 24 -5.413 -6.806 -6.103 1.00 0.00 C ATOM 337 CE LYS A 24 -5.957 -8.236 -6.055 1.00 0.00 C ATOM 338 NZ LYS A 24 -6.725 -8.540 -7.284 1.00 0.00 N ATOM 0 H LYS A 24 -6.401 -2.440 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.066 -4.004 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.458 -4.679 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.697 -4.725 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.267 -6.149 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.812 -6.864 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.064 -6.186 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.430 -6.803 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.133 -8.942 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.595 -8.359 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.087 -9.514 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.523 -7.878 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.105 -8.442 -8.114 1.00 0.00 H new ATOM 348 N GLU A 25 -5.201 -3.459 -7.197 1.00 0.00 N ATOM 349 CA GLU A 25 -4.797 -3.367 -8.590 1.00 0.00 C ATOM 350 C GLU A 25 -3.498 -2.568 -8.713 1.00 0.00 C ATOM 351 O GLU A 25 -2.555 -3.006 -9.372 1.00 0.00 O ATOM 352 CB GLU A 25 -5.905 -2.748 -9.443 1.00 0.00 C ATOM 353 CG GLU A 25 -5.731 -3.117 -10.918 1.00 0.00 C ATOM 354 CD GLU A 25 -6.505 -2.152 -11.820 1.00 0.00 C ATOM 355 OE1 GLU A 25 -6.297 -0.930 -11.652 1.00 0.00 O ATOM 356 OE2 GLU A 25 -7.285 -2.657 -12.655 1.00 0.00 O ATOM 0 H GLU A 25 -6.204 -3.363 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.618 -4.375 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.877 -3.093 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.892 -1.664 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.673 -3.096 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.080 -4.136 -11.085 1.00 0.00 H new ATOM 361 N GLU A 26 -3.489 -1.410 -8.070 1.00 0.00 N ATOM 362 CA GLU A 26 -2.321 -0.546 -8.099 1.00 0.00 C ATOM 363 C GLU A 26 -1.121 -1.253 -7.465 1.00 0.00 C ATOM 364 O GLU A 26 -0.007 -1.173 -7.979 1.00 0.00 O ATOM 365 CB GLU A 26 -2.606 0.785 -7.400 1.00 0.00 C ATOM 366 CG GLU A 26 -1.323 1.387 -6.823 1.00 0.00 C ATOM 367 CD GLU A 26 -1.515 2.867 -6.488 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.114 3.134 -5.423 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.058 3.697 -7.302 1.00 0.00 O ATOM 0 H GLU A 26 -4.272 -1.049 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.081 -0.328 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.053 1.483 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.332 0.632 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.033 0.842 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.510 1.275 -7.540 1.00 0.00 H new ATOM 374 N VAL A 27 -1.391 -1.929 -6.358 1.00 0.00 N ATOM 375 CA VAL A 27 -0.348 -2.649 -5.648 1.00 0.00 C ATOM 376 C VAL A 27 0.159 -3.797 -6.524 1.00 0.00 C ATOM 377 O VAL A 27 1.281 -3.749 -7.029 1.00 0.00 O ATOM 378 CB VAL A 27 -0.868 -3.120 -4.289 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.340 -4.516 -3.953 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.512 -2.119 -3.188 1.00 0.00 C ATOM 0 H VAL A 27 -2.317 -1.993 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 27 0.499 -1.993 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.955 -3.179 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.725 -4.827 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.668 -5.222 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.749 -4.495 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.894 -2.478 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.571 -2.013 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.960 -1.152 -3.417 1.00 0.00 H new ATOM 390 N THR A 28 -0.690 -4.801 -6.678 1.00 0.00 N ATOM 391 CA THR A 28 -0.342 -5.959 -7.484 1.00 0.00 C ATOM 392 C THR A 28 0.322 -5.520 -8.790 1.00 0.00 C ATOM 393 O THR A 28 1.184 -6.220 -9.320 1.00 0.00 O ATOM 394 CB THR A 28 -1.611 -6.787 -7.696 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.932 -7.269 -6.395 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.354 -8.056 -8.511 1.00 0.00 C ATOM 0 H THR A 28 -1.619 -4.837 -6.258 1.00 0.00 H new ATOM 0 HA THR A 28 0.392 -6.586 -6.978 1.00 0.00 H new ATOM 0 HB THR A 28 -2.361 -6.178 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.524 -8.046 -6.471 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.287 -8.606 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.963 -7.786 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.629 -8.682 -7.991 1.00 0.00 H new ATOM 404 N SER A 29 -0.104 -4.361 -9.272 1.00 0.00 N ATOM 405 CA SER A 29 0.439 -3.820 -10.507 1.00 0.00 C ATOM 406 C SER A 29 1.917 -3.469 -10.319 1.00 0.00 C ATOM 407 O SER A 29 2.772 -3.953 -11.059 1.00 0.00 O ATOM 408 CB SER A 29 -0.346 -2.588 -10.959 1.00 0.00 C ATOM 409 OG SER A 29 0.327 -1.876 -11.996 1.00 0.00 O ATOM 0 H SER A 29 -0.818 -3.782 -8.830 1.00 0.00 H new ATOM 0 HA SER A 29 0.349 -4.580 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.331 -2.895 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.503 -1.926 -10.108 1.00 0.00 H new ATOM 0 HG SER A 29 -0.207 -1.097 -12.258 1.00 0.00 H new ATOM 414 N PHE A 30 2.171 -2.630 -9.326 1.00 0.00 N ATOM 415 CA PHE A 30 3.530 -2.208 -9.032 1.00 0.00 C ATOM 416 C PHE A 30 4.305 -3.317 -8.317 1.00 0.00 C ATOM 417 O PHE A 30 5.510 -3.463 -8.514 1.00 0.00 O ATOM 418 CB PHE A 30 3.431 -0.993 -8.107 1.00 0.00 C ATOM 419 CG PHE A 30 4.632 -0.049 -8.190 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.758 -0.316 -7.476 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.573 1.057 -8.979 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.872 0.561 -7.553 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.688 1.935 -9.056 1.00 0.00 C ATOM 424 CZ PHE A 30 6.814 1.667 -8.342 1.00 0.00 C ATOM 0 H PHE A 30 1.459 -2.231 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 30 4.055 -1.973 -9.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.526 -0.436 -8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.324 -1.339 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.805 -1.195 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.679 1.268 -9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.766 0.350 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.641 2.814 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.662 2.333 -8.402 1.00 0.00 H new ATOM 433 N PHE A 31 3.581 -4.070 -7.502 1.00 0.00 N ATOM 434 CA PHE A 31 4.186 -5.161 -6.756 1.00 0.00 C ATOM 435 C PHE A 31 4.354 -6.401 -7.639 1.00 0.00 C ATOM 436 O PHE A 31 5.149 -7.286 -7.326 1.00 0.00 O ATOM 437 CB PHE A 31 3.239 -5.495 -5.603 1.00 0.00 C ATOM 438 CG PHE A 31 3.419 -4.604 -4.372 1.00 0.00 C ATOM 439 CD1 PHE A 31 4.320 -4.945 -3.412 1.00 0.00 C ATOM 440 CD2 PHE A 31 2.679 -3.471 -4.239 1.00 0.00 C ATOM 441 CE1 PHE A 31 4.487 -4.119 -2.270 1.00 0.00 C ATOM 442 CE2 PHE A 31 2.847 -2.644 -3.096 1.00 0.00 C ATOM 443 CZ PHE A 31 3.747 -2.986 -2.135 1.00 0.00 C ATOM 0 H PHE A 31 2.581 -3.946 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 31 5.172 -4.865 -6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.211 -5.409 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.390 -6.534 -5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.908 -5.844 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.964 -3.200 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.202 -4.390 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.260 -1.744 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.874 -2.358 -1.265 1.00 0.00 H new ATOM 452 N LYS A 32 3.591 -6.424 -8.722 1.00 0.00 N ATOM 453 CA LYS A 32 3.645 -7.540 -9.651 1.00 0.00 C ATOM 454 C LYS A 32 5.101 -7.972 -9.839 1.00 0.00 C ATOM 455 O LYS A 32 5.376 -9.142 -10.102 1.00 0.00 O ATOM 456 CB LYS A 32 2.936 -7.184 -10.958 1.00 0.00 C ATOM 457 CG LYS A 32 1.684 -8.041 -11.155 1.00 0.00 C ATOM 458 CD LYS A 32 0.675 -7.339 -12.064 1.00 0.00 C ATOM 459 CE LYS A 32 -0.017 -8.339 -12.993 1.00 0.00 C ATOM 460 NZ LYS A 32 -1.414 -8.566 -12.563 1.00 0.00 N ATOM 0 H LYS A 32 2.932 -5.688 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 32 3.107 -8.398 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.661 -6.129 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.617 -7.331 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.962 -9.002 -11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.225 -8.248 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.071 -6.826 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.183 -6.578 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.002 -7.964 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.528 -9.283 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.868 -9.247 -13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.422 -8.944 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.935 -7.666 -12.588 1.00 0.00 H new ATOM 470 N LYS A 33 5.995 -7.004 -9.697 1.00 0.00 N ATOM 471 CA LYS A 33 7.415 -7.269 -9.848 1.00 0.00 C ATOM 472 C LYS A 33 8.019 -7.592 -8.479 1.00 0.00 C ATOM 473 O LYS A 33 8.839 -8.499 -8.356 1.00 0.00 O ATOM 474 CB LYS A 33 8.105 -6.106 -10.565 1.00 0.00 C ATOM 475 CG LYS A 33 9.026 -6.615 -11.676 1.00 0.00 C ATOM 476 CD LYS A 33 10.348 -5.846 -11.688 1.00 0.00 C ATOM 477 CE LYS A 33 11.479 -6.709 -12.248 1.00 0.00 C ATOM 478 NZ LYS A 33 12.436 -5.878 -13.013 1.00 0.00 N ATOM 0 H LYS A 33 5.763 -6.035 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 33 7.573 -8.142 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.354 -5.438 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.683 -5.523 -9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.221 -7.678 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.531 -6.509 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.242 -4.943 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.596 -5.527 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.997 -7.213 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.067 -7.486 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.198 -6.480 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.941 -5.417 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.843 -5.153 -12.388 1.00 0.00 H new ATOM 488 N HIS A 34 7.587 -6.829 -7.484 1.00 0.00 N ATOM 489 CA HIS A 34 8.074 -7.023 -6.129 1.00 0.00 C ATOM 490 C HIS A 34 7.607 -8.381 -5.604 1.00 0.00 C ATOM 491 O HIS A 34 7.826 -9.408 -6.246 1.00 0.00 O ATOM 492 CB HIS A 34 7.648 -5.861 -5.228 1.00 0.00 C ATOM 493 CG HIS A 34 8.142 -4.511 -5.691 1.00 0.00 C ATOM 494 ND1 HIS A 34 8.507 -3.505 -4.815 1.00 0.00 N ATOM 495 CD2 HIS A 34 8.328 -4.014 -6.947 1.00 0.00 C ATOM 496 CE1 HIS A 34 8.893 -2.454 -5.521 1.00 0.00 C ATOM 497 NE2 HIS A 34 8.781 -2.770 -6.844 1.00 0.00 N ATOM 0 H HIS A 34 6.906 -6.077 -7.590 1.00 0.00 H new ATOM 0 HA HIS A 34 9.164 -7.028 -6.128 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.560 -5.838 -5.172 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.015 -6.044 -4.218 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.139 -4.543 -7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.236 -1.512 -5.120 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.008 -2.153 -7.624 1.00 0.00 H new ATOM 504 N GLY A 35 6.971 -8.345 -4.442 1.00 0.00 N ATOM 505 CA GLY A 35 6.471 -9.561 -3.824 1.00 0.00 C ATOM 506 C GLY A 35 4.944 -9.625 -3.894 1.00 0.00 C ATOM 507 O GLY A 35 4.289 -9.988 -2.920 1.00 0.00 O ATOM 0 H GLY A 35 6.791 -7.492 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.898 -10.430 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.793 -9.603 -2.783 1.00 0.00 H new ATOM 511 N ILE A 36 4.422 -9.264 -5.058 1.00 0.00 N ATOM 512 CA ILE A 36 2.984 -9.276 -5.268 1.00 0.00 C ATOM 513 C ILE A 36 2.371 -10.455 -4.510 1.00 0.00 C ATOM 514 O ILE A 36 1.250 -10.360 -4.010 1.00 0.00 O ATOM 515 CB ILE A 36 2.661 -9.271 -6.763 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.158 -9.119 -7.000 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.226 -10.517 -7.450 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.461 -10.481 -7.001 1.00 0.00 C ATOM 0 H ILE A 36 4.969 -8.962 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 36 2.533 -8.369 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 36 3.147 -8.405 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.726 -8.487 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.986 -8.618 -7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.982 -10.489 -8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.309 -10.541 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.790 -11.409 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.607 -10.343 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.878 -11.102 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.615 -10.969 -6.039 1.00 0.00 H new ATOM 529 N GLU A 37 3.133 -11.536 -4.447 1.00 0.00 N ATOM 530 CA GLU A 37 2.679 -12.733 -3.758 1.00 0.00 C ATOM 531 C GLU A 37 2.531 -12.459 -2.260 1.00 0.00 C ATOM 532 O GLU A 37 1.418 -12.399 -1.743 1.00 0.00 O ATOM 533 CB GLU A 37 3.629 -13.905 -4.011 1.00 0.00 C ATOM 534 CG GLU A 37 3.055 -14.859 -5.060 1.00 0.00 C ATOM 535 CD GLU A 37 3.982 -16.057 -5.278 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.212 -15.843 -5.206 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.441 -17.159 -5.511 1.00 0.00 O ATOM 0 H GLU A 37 4.062 -11.609 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 37 1.702 -13.009 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.595 -13.529 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.803 -14.444 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.073 -15.208 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.914 -14.328 -6.001 1.00 0.00 H new ATOM 542 N LYS A 38 3.673 -12.300 -1.606 1.00 0.00 N ATOM 543 CA LYS A 38 3.685 -12.033 -0.177 1.00 0.00 C ATOM 544 C LYS A 38 2.862 -10.776 0.110 1.00 0.00 C ATOM 545 O LYS A 38 2.211 -10.680 1.149 1.00 0.00 O ATOM 546 CB LYS A 38 5.122 -11.960 0.342 1.00 0.00 C ATOM 547 CG LYS A 38 5.163 -11.415 1.771 1.00 0.00 C ATOM 548 CD LYS A 38 4.807 -12.505 2.783 1.00 0.00 C ATOM 549 CE LYS A 38 5.187 -12.080 4.202 1.00 0.00 C ATOM 550 NZ LYS A 38 4.065 -12.323 5.136 1.00 0.00 N ATOM 0 H LYS A 38 4.595 -12.351 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 38 3.215 -12.852 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.573 -12.952 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.716 -11.321 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.157 -11.024 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.466 -10.583 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.738 -12.715 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.325 -13.429 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.067 -12.634 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.453 -11.023 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.341 -12.029 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.235 -11.776 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.829 -13.336 5.140 1.00 0.00 H new ATOM 560 N VAL A 39 2.918 -9.843 -0.830 1.00 0.00 N ATOM 561 CA VAL A 39 2.186 -8.596 -0.691 1.00 0.00 C ATOM 562 C VAL A 39 0.687 -8.872 -0.821 1.00 0.00 C ATOM 563 O VAL A 39 -0.113 -8.353 -0.044 1.00 0.00 O ATOM 564 CB VAL A 39 2.696 -7.573 -1.708 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.934 -6.252 -1.587 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.202 -7.354 -1.556 1.00 0.00 C ATOM 0 H VAL A 39 3.459 -9.926 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 39 2.353 -8.164 0.296 1.00 0.00 H new ATOM 0 HB VAL A 39 2.515 -7.973 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.316 -5.543 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.873 -6.426 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.069 -5.845 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.539 -6.623 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.417 -6.986 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.725 -8.297 -1.716 1.00 0.00 H new ATOM 576 N ALA A 40 0.351 -9.689 -1.809 1.00 0.00 N ATOM 577 CA ALA A 40 -1.037 -10.040 -2.051 1.00 0.00 C ATOM 578 C ALA A 40 -1.651 -10.591 -0.762 1.00 0.00 C ATOM 579 O ALA A 40 -2.806 -10.305 -0.449 1.00 0.00 O ATOM 580 CB ALA A 40 -1.118 -11.038 -3.209 1.00 0.00 C ATOM 0 H ALA A 40 1.017 -10.118 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.611 -9.159 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.160 -11.301 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.696 -10.588 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.556 -11.937 -2.955 1.00 0.00 H new ATOM 586 N GLU A 41 -0.852 -11.373 -0.051 1.00 0.00 N ATOM 587 CA GLU A 41 -1.302 -11.967 1.196 1.00 0.00 C ATOM 588 C GLU A 41 -1.427 -10.895 2.280 1.00 0.00 C ATOM 589 O GLU A 41 -2.435 -10.830 2.981 1.00 0.00 O ATOM 590 CB GLU A 41 -0.361 -13.089 1.640 1.00 0.00 C ATOM 591 CG GLU A 41 -1.078 -14.070 2.571 1.00 0.00 C ATOM 592 CD GLU A 41 -0.440 -15.459 2.500 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.090 -15.786 1.416 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.496 -16.161 3.532 1.00 0.00 O ATOM 0 H GLU A 41 0.105 -11.609 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.286 -12.406 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.015 -13.620 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.503 -12.663 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.039 -13.700 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.131 -14.135 2.296 1.00 0.00 H new ATOM 599 N GLN A 42 -0.387 -10.080 2.385 1.00 0.00 N ATOM 600 CA GLN A 42 -0.368 -9.015 3.372 1.00 0.00 C ATOM 601 C GLN A 42 -1.482 -8.007 3.086 1.00 0.00 C ATOM 602 O GLN A 42 -2.238 -7.638 3.985 1.00 0.00 O ATOM 603 CB GLN A 42 0.999 -8.326 3.409 1.00 0.00 C ATOM 604 CG GLN A 42 1.886 -8.927 4.501 1.00 0.00 C ATOM 605 CD GLN A 42 1.433 -8.468 5.889 1.00 0.00 C ATOM 606 OE1 GLN A 42 0.375 -8.829 6.376 1.00 0.00 O ATOM 607 NE2 GLN A 42 2.292 -7.653 6.495 1.00 0.00 N ATOM 0 H GLN A 42 0.448 -10.136 1.802 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.544 -9.453 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.488 -8.429 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.868 -7.259 3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.852 -10.015 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.922 -8.632 4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.161 -7.391 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.082 -7.291 7.425 1.00 0.00 H new ATOM 614 N VAL A 43 -1.550 -7.586 1.831 1.00 0.00 N ATOM 615 CA VAL A 43 -2.559 -6.628 1.416 1.00 0.00 C ATOM 616 C VAL A 43 -3.948 -7.239 1.613 1.00 0.00 C ATOM 617 O VAL A 43 -4.895 -6.536 1.963 1.00 0.00 O ATOM 618 CB VAL A 43 -2.300 -6.186 -0.026 1.00 0.00 C ATOM 619 CG1 VAL A 43 -0.849 -5.732 -0.208 1.00 0.00 C ATOM 620 CG2 VAL A 43 -2.654 -7.300 -1.013 1.00 0.00 C ATOM 0 H VAL A 43 -0.922 -7.892 1.088 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.508 -5.730 2.031 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.947 -5.334 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.691 -5.423 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.644 -4.893 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.177 -6.556 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.461 -6.960 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.045 -8.179 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.709 -7.556 -0.910 1.00 0.00 H new ATOM 630 N MET A 44 -4.026 -8.541 1.378 1.00 0.00 N ATOM 631 CA MET A 44 -5.284 -9.254 1.526 1.00 0.00 C ATOM 632 C MET A 44 -5.790 -9.180 2.968 1.00 0.00 C ATOM 633 O MET A 44 -6.975 -8.953 3.202 1.00 0.00 O ATOM 634 CB MET A 44 -5.089 -10.718 1.127 1.00 0.00 C ATOM 635 CG MET A 44 -5.551 -10.960 -0.312 1.00 0.00 C ATOM 636 SD MET A 44 -5.440 -12.697 -0.705 1.00 0.00 S ATOM 637 CE MET A 44 -4.398 -12.622 -2.152 1.00 0.00 C ATOM 0 H MET A 44 -3.239 -9.120 1.086 1.00 0.00 H new ATOM 0 HA MET A 44 -6.025 -8.786 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.038 -10.989 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.649 -11.361 1.806 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.578 -10.616 -0.436 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.936 -10.383 -1.002 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.575 -13.500 -2.774 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.630 -11.722 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.352 -12.599 -1.846 1.00 0.00 H new ATOM 645 N LYS A 45 -4.865 -9.375 3.897 1.00 0.00 N ATOM 646 CA LYS A 45 -5.203 -9.334 5.310 1.00 0.00 C ATOM 647 C LYS A 45 -5.321 -7.877 5.758 1.00 0.00 C ATOM 648 O LYS A 45 -5.942 -7.586 6.779 1.00 0.00 O ATOM 649 CB LYS A 45 -4.197 -10.150 6.125 1.00 0.00 C ATOM 650 CG LYS A 45 -4.326 -11.643 5.817 1.00 0.00 C ATOM 651 CD LYS A 45 -3.352 -12.463 6.667 1.00 0.00 C ATOM 652 CE LYS A 45 -3.944 -13.831 7.012 1.00 0.00 C ATOM 653 NZ LYS A 45 -4.312 -13.889 8.444 1.00 0.00 N ATOM 0 H LYS A 45 -3.882 -9.562 3.699 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.172 -9.801 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.184 -9.815 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.361 -9.979 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.348 -11.971 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.129 -11.819 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.414 -12.594 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.119 -11.922 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.824 -14.019 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.222 -14.615 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.712 -14.824 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.465 -13.730 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.018 -13.154 8.651 1.00 0.00 H new ATOM 663 N ALA A 46 -4.714 -6.998 4.974 1.00 0.00 N ATOM 664 CA ALA A 46 -4.744 -5.577 5.278 1.00 0.00 C ATOM 665 C ALA A 46 -6.100 -5.000 4.869 1.00 0.00 C ATOM 666 O ALA A 46 -6.765 -4.341 5.666 1.00 0.00 O ATOM 667 CB ALA A 46 -3.576 -4.881 4.575 1.00 0.00 C ATOM 0 H ALA A 46 -4.198 -7.242 4.129 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.626 -5.410 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.598 -3.815 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.635 -5.307 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.662 -5.024 3.498 1.00 0.00 H new ATOM 673 N ASP A 47 -6.470 -5.269 3.625 1.00 0.00 N ATOM 674 CA ASP A 47 -7.735 -4.784 3.099 1.00 0.00 C ATOM 675 C ASP A 47 -8.850 -5.754 3.492 1.00 0.00 C ATOM 676 O ASP A 47 -9.617 -6.202 2.641 1.00 0.00 O ATOM 677 CB ASP A 47 -7.700 -4.697 1.572 1.00 0.00 C ATOM 678 CG ASP A 47 -8.663 -3.678 0.961 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.865 -3.763 1.293 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.176 -2.837 0.175 1.00 0.00 O ATOM 0 H ASP A 47 -5.916 -5.816 2.966 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.914 -3.791 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.686 -4.448 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.927 -5.681 1.162 1.00 0.00 H new ATOM 684 N ALA A 48 -8.906 -6.053 4.782 1.00 0.00 N ATOM 685 CA ALA A 48 -9.914 -6.962 5.297 1.00 0.00 C ATOM 686 C ALA A 48 -11.166 -6.167 5.676 1.00 0.00 C ATOM 687 O ALA A 48 -11.719 -6.352 6.759 1.00 0.00 O ATOM 688 CB ALA A 48 -9.341 -7.744 6.480 1.00 0.00 C ATOM 0 H ALA A 48 -8.268 -5.681 5.486 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.201 -7.687 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.098 -8.426 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.472 -8.314 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.044 -7.049 7.266 1.00 0.00 H new ATOM 694 N ASN A 49 -11.575 -5.299 4.763 1.00 0.00 N ATOM 695 CA ASN A 49 -12.750 -4.475 4.987 1.00 0.00 C ATOM 696 C ASN A 49 -13.797 -4.782 3.914 1.00 0.00 C ATOM 697 O ASN A 49 -14.989 -4.856 4.206 1.00 0.00 O ATOM 698 CB ASN A 49 -12.406 -2.987 4.899 1.00 0.00 C ATOM 699 CG ASN A 49 -13.277 -2.165 5.851 1.00 0.00 C ATOM 700 OD1 ASN A 49 -14.414 -2.499 6.138 1.00 0.00 O ATOM 701 ND2 ASN A 49 -12.681 -1.073 6.323 1.00 0.00 N ATOM 0 H ASN A 49 -11.113 -5.148 3.866 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.132 -4.698 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.354 -2.838 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.548 -2.637 3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.179 -0.458 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.726 -0.851 6.042 1.00 0.00 H new ATOM 707 N GLY A 50 -13.311 -4.953 2.692 1.00 0.00 N ATOM 708 CA GLY A 50 -14.189 -5.251 1.574 1.00 0.00 C ATOM 709 C GLY A 50 -13.420 -5.226 0.251 1.00 0.00 C ATOM 710 O GLY A 50 -13.387 -6.221 -0.471 1.00 0.00 O ATOM 0 H GLY A 50 -12.321 -4.891 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.644 -6.231 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.001 -4.524 1.541 1.00 0.00 H new ATOM 714 N ASP A 51 -12.818 -4.079 -0.025 1.00 0.00 N ATOM 715 CA ASP A 51 -12.050 -3.912 -1.248 1.00 0.00 C ATOM 716 C ASP A 51 -11.775 -2.424 -1.473 1.00 0.00 C ATOM 717 O ASP A 51 -12.289 -1.829 -2.419 1.00 0.00 O ATOM 718 CB ASP A 51 -12.824 -4.438 -2.459 1.00 0.00 C ATOM 719 CG ASP A 51 -14.292 -4.014 -2.523 1.00 0.00 C ATOM 720 OD1 ASP A 51 -15.042 -4.427 -1.614 1.00 0.00 O ATOM 721 OD2 ASP A 51 -14.631 -3.286 -3.482 1.00 0.00 O ATOM 0 H ASP A 51 -12.846 -3.256 0.577 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.120 -4.471 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.324 -4.099 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.776 -5.527 -2.457 1.00 0.00 H new ATOM 725 N GLY A 52 -10.963 -1.865 -0.587 1.00 0.00 N ATOM 726 CA GLY A 52 -10.613 -0.457 -0.678 1.00 0.00 C ATOM 727 C GLY A 52 -9.138 -0.282 -1.040 1.00 0.00 C ATOM 728 O GLY A 52 -8.586 -1.066 -1.811 1.00 0.00 O ATOM 0 H GLY A 52 -10.538 -2.361 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.236 0.028 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.819 0.035 0.273 1.00 0.00 H new ATOM 732 N TYR A 53 -8.539 0.752 -0.465 1.00 0.00 N ATOM 733 CA TYR A 53 -7.137 1.040 -0.718 1.00 0.00 C ATOM 734 C TYR A 53 -6.460 1.606 0.532 1.00 0.00 C ATOM 735 O TYR A 53 -7.133 1.991 1.486 1.00 0.00 O ATOM 736 CB TYR A 53 -7.117 2.101 -1.821 1.00 0.00 C ATOM 737 CG TYR A 53 -8.309 3.060 -1.783 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.529 3.844 -0.668 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.164 3.140 -2.863 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.650 4.746 -0.633 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.286 4.043 -2.828 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.473 4.801 -1.715 1.00 0.00 C ATOM 743 OH TYR A 53 -11.533 5.653 -1.682 1.00 0.00 O ATOM 0 H TYR A 53 -8.999 1.400 0.175 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.603 0.133 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.196 2.679 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.095 1.603 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.860 3.780 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.992 2.526 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.834 5.365 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.963 4.116 -3.666 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.032 5.587 -2.523 1.00 0.00 H new ATOM 752 N ILE A 54 -5.136 1.641 0.483 1.00 0.00 N ATOM 753 CA ILE A 54 -4.361 2.154 1.600 1.00 0.00 C ATOM 754 C ILE A 54 -3.959 3.602 1.313 1.00 0.00 C ATOM 755 O ILE A 54 -3.027 3.852 0.551 1.00 0.00 O ATOM 756 CB ILE A 54 -3.174 1.234 1.897 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.430 0.397 3.150 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.873 2.033 1.995 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.230 -0.864 2.815 1.00 0.00 C ATOM 0 H ILE A 54 -4.581 1.323 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.963 2.163 2.509 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.062 0.539 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.480 0.118 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.973 0.992 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.045 1.356 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.690 2.547 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.956 2.766 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.398 -1.441 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.190 -0.582 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.673 -1.469 2.099 1.00 0.00 H new ATOM 770 N THR A 55 -4.683 4.519 1.940 1.00 0.00 N ATOM 771 CA THR A 55 -4.413 5.935 1.761 1.00 0.00 C ATOM 772 C THR A 55 -3.520 6.455 2.889 1.00 0.00 C ATOM 773 O THR A 55 -3.643 6.021 4.034 1.00 0.00 O ATOM 774 CB THR A 55 -5.756 6.663 1.665 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.263 6.633 2.998 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.791 5.879 0.856 1.00 0.00 C ATOM 0 H THR A 55 -5.455 4.308 2.572 1.00 0.00 H new ATOM 0 HA THR A 55 -3.860 6.119 0.840 1.00 0.00 H new ATOM 0 HB THR A 55 -5.606 7.642 1.210 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.243 6.623 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.725 6.440 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.420 5.725 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.967 4.913 1.329 1.00 0.00 H new ATOM 784 N LEU A 56 -2.640 7.377 2.526 1.00 0.00 N ATOM 785 CA LEU A 56 -1.725 7.959 3.494 1.00 0.00 C ATOM 786 C LEU A 56 -2.472 8.218 4.804 1.00 0.00 C ATOM 787 O LEU A 56 -1.937 7.980 5.885 1.00 0.00 O ATOM 788 CB LEU A 56 -1.053 9.205 2.913 1.00 0.00 C ATOM 789 CG LEU A 56 -1.995 10.297 2.399 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.877 11.565 3.246 1.00 0.00 C ATOM 791 CD2 LEU A 56 -1.753 10.574 0.914 1.00 0.00 C ATOM 0 H LEU A 56 -2.541 7.735 1.576 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.916 7.264 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.411 9.638 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.406 8.895 2.093 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.020 9.939 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.556 12.325 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.137 11.337 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.854 11.938 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.435 11.353 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.724 10.903 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.928 9.663 0.341 1.00 0.00 H new ATOM 802 N GLU A 57 -3.697 8.701 4.664 1.00 0.00 N ATOM 803 CA GLU A 57 -4.524 8.995 5.822 1.00 0.00 C ATOM 804 C GLU A 57 -4.829 7.710 6.595 1.00 0.00 C ATOM 805 O GLU A 57 -4.736 7.683 7.821 1.00 0.00 O ATOM 806 CB GLU A 57 -5.813 9.706 5.410 1.00 0.00 C ATOM 807 CG GLU A 57 -6.600 8.873 4.397 1.00 0.00 C ATOM 808 CD GLU A 57 -7.920 9.555 4.032 1.00 0.00 C ATOM 809 OE1 GLU A 57 -7.872 10.774 3.758 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.948 8.843 4.036 1.00 0.00 O ATOM 0 H GLU A 57 -4.138 8.896 3.765 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.971 9.668 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.428 9.890 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.574 10.678 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.001 8.727 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.800 7.885 4.811 1.00 0.00 H new ATOM 815 N GLU A 58 -5.188 6.678 5.846 1.00 0.00 N ATOM 816 CA GLU A 58 -5.508 5.394 6.446 1.00 0.00 C ATOM 817 C GLU A 58 -4.227 4.680 6.886 1.00 0.00 C ATOM 818 O GLU A 58 -4.231 3.942 7.870 1.00 0.00 O ATOM 819 CB GLU A 58 -6.316 4.524 5.481 1.00 0.00 C ATOM 820 CG GLU A 58 -6.643 3.167 6.108 1.00 0.00 C ATOM 821 CD GLU A 58 -7.974 2.627 5.582 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.138 2.631 4.343 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.797 2.222 6.431 1.00 0.00 O ATOM 0 H GLU A 58 -5.264 6.705 4.829 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.124 5.570 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.240 5.036 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.752 4.377 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.845 2.458 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.689 3.265 7.193 1.00 0.00 H new ATOM 828 N PHE A 59 -3.164 4.925 6.136 1.00 0.00 N ATOM 829 CA PHE A 59 -1.879 4.315 6.436 1.00 0.00 C ATOM 830 C PHE A 59 -1.341 4.805 7.781 1.00 0.00 C ATOM 831 O PHE A 59 -0.752 4.033 8.536 1.00 0.00 O ATOM 832 CB PHE A 59 -0.913 4.738 5.328 1.00 0.00 C ATOM 833 CG PHE A 59 0.018 3.621 4.854 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.461 2.358 4.692 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.326 3.889 4.595 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.402 1.321 4.252 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.190 2.852 4.154 1.00 0.00 C ATOM 838 CZ PHE A 59 1.710 1.590 3.992 1.00 0.00 C ATOM 0 H PHE A 59 -3.165 5.538 5.321 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.985 3.232 6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.489 5.102 4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.310 5.573 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.499 2.144 4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.708 4.891 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.021 0.319 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.228 3.066 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.367 0.801 3.657 1.00 0.00 H new ATOM 847 N LEU A 60 -1.562 6.086 8.040 1.00 0.00 N ATOM 848 CA LEU A 60 -1.106 6.688 9.280 1.00 0.00 C ATOM 849 C LEU A 60 -2.092 6.348 10.400 1.00 0.00 C ATOM 850 O LEU A 60 -1.687 6.091 11.533 1.00 0.00 O ATOM 851 CB LEU A 60 -0.880 8.190 9.096 1.00 0.00 C ATOM 852 CG LEU A 60 0.059 8.591 7.957 1.00 0.00 C ATOM 853 CD1 LEU A 60 -0.364 9.928 7.343 1.00 0.00 C ATOM 854 CD2 LEU A 60 1.515 8.611 8.427 1.00 0.00 C ATOM 0 H LEU A 60 -2.051 6.723 7.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.139 6.277 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.847 8.665 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.483 8.595 10.027 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.015 7.838 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.320 10.190 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.376 9.843 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.337 10.704 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.161 8.899 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.625 9.329 9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.797 7.619 8.779 1.00 0.00 H new ATOM 865 N GLU A 61 -3.368 6.357 10.044 1.00 0.00 N ATOM 866 CA GLU A 61 -4.415 6.053 11.004 1.00 0.00 C ATOM 867 C GLU A 61 -4.222 4.646 11.573 1.00 0.00 C ATOM 868 O GLU A 61 -4.488 4.406 12.749 1.00 0.00 O ATOM 869 CB GLU A 61 -5.800 6.203 10.372 1.00 0.00 C ATOM 870 CG GLU A 61 -6.864 6.472 11.437 1.00 0.00 C ATOM 871 CD GLU A 61 -8.270 6.412 10.837 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.703 5.284 10.516 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.880 7.495 10.711 1.00 0.00 O ATOM 0 H GLU A 61 -3.701 6.570 9.104 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.347 6.768 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.788 7.020 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.052 5.296 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.775 5.738 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.697 7.452 11.883 1.00 0.00 H new ATOM 878 N PHE A 62 -3.760 3.752 10.710 1.00 0.00 N ATOM 879 CA PHE A 62 -3.527 2.375 11.113 1.00 0.00 C ATOM 880 C PHE A 62 -2.194 2.237 11.852 1.00 0.00 C ATOM 881 O PHE A 62 -2.105 1.525 12.850 1.00 0.00 O ATOM 882 CB PHE A 62 -3.475 1.539 9.833 1.00 0.00 C ATOM 883 CG PHE A 62 -4.624 0.538 9.697 1.00 0.00 C ATOM 884 CD1 PHE A 62 -4.837 -0.389 10.670 1.00 0.00 C ATOM 885 CD2 PHE A 62 -5.432 0.573 8.604 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.903 -1.319 10.544 1.00 0.00 C ATOM 887 CE2 PHE A 62 -6.498 -0.356 8.478 1.00 0.00 C ATOM 888 CZ PHE A 62 -6.711 -1.283 9.450 1.00 0.00 C ATOM 0 H PHE A 62 -3.541 3.954 9.735 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.319 2.044 11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.486 2.209 8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.529 0.998 9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.195 -0.418 11.538 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.263 1.308 7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.072 -2.055 11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.140 -0.327 7.610 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.521 -1.990 9.353 1.00 0.00 H new ATOM 897 N SER A 63 -1.192 2.931 11.333 1.00 0.00 N ATOM 898 CA SER A 63 0.131 2.895 11.931 1.00 0.00 C ATOM 899 C SER A 63 0.081 3.470 13.348 1.00 0.00 C ATOM 900 O SER A 63 0.917 3.137 14.188 1.00 0.00 O ATOM 901 CB SER A 63 1.142 3.667 11.081 1.00 0.00 C ATOM 902 OG SER A 63 0.913 5.072 11.124 1.00 0.00 O ATOM 0 H SER A 63 -1.270 3.521 10.505 1.00 0.00 H new ATOM 0 HA SER A 63 0.456 1.856 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.151 3.453 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.086 3.322 10.049 1.00 0.00 H new ATOM 0 HG SER A 63 -0.021 5.244 11.366 1.00 0.00 H new ATOM 907 N LEU A 64 -0.906 4.324 13.571 1.00 0.00 N ATOM 908 CA LEU A 64 -1.077 4.948 14.872 1.00 0.00 C ATOM 909 C LEU A 64 -1.716 3.945 15.835 1.00 0.00 C ATOM 910 O LEU A 64 -1.222 3.742 16.943 1.00 0.00 O ATOM 911 CB LEU A 64 -1.858 6.257 14.740 1.00 0.00 C ATOM 912 CG LEU A 64 -1.063 7.541 14.979 1.00 0.00 C ATOM 913 CD1 LEU A 64 -0.867 8.316 13.675 1.00 0.00 C ATOM 914 CD2 LEU A 64 -1.718 8.399 16.063 1.00 0.00 C ATOM 0 H LEU A 64 -1.596 4.599 12.872 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.109 5.222 15.293 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.288 6.301 13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.690 6.233 15.444 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.073 7.266 15.342 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.299 9.225 13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.323 7.697 12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.839 8.580 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.132 9.306 16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.728 8.667 15.754 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.761 7.837 16.996 1.00 0.00 H new