USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 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 1 MET N :NH3+ -119:sc= -0.288 (180deg=-4.91!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.912 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.697 (180deg=-0.813) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.4!) USER MOD Single : A 16 THR OG1 : rot 59:sc= 0.747 USER MOD Single : A 17 SER OG : rot -67:sc= 0.246 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 22 ASN : amide:sc= -0.0536 K(o=-0.054,f=-1.9) USER MOD Single : A 23 THR OG1 : rot 162:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.09 F(o=-3.2,f=-1.1) USER MOD Single : A 41 MET CE :methyl -141:sc= 0 (180deg=-0.016) USER MOD Single : A 46 TYR OH : rot 72:sc= 0.194 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.016) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0284 K(o=-0.028,f=-0.7) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 52:sc= 0.131 USER MOD Single : A 69 HIS : no HD1:sc= -7.17! C(o=-7.2!,f=-8!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.912 -0.492 0.208 1.00 60.13 N ATOM 2 CA MET A 1 1.729 -0.504 -1.000 1.00 70.53 C ATOM 3 C MET A 1 1.081 -1.359 -2.086 1.00 5.53 C ATOM 4 O MET A 1 0.657 -0.846 -3.122 1.00 70.13 O ATOM 5 CB MET A 1 3.131 -1.032 -0.688 1.00 73.03 C ATOM 6 CG MET A 1 4.192 -0.550 -1.664 1.00 24.14 C ATOM 7 SD MET A 1 5.866 -0.740 -1.019 1.00 35.51 S ATOM 8 CE MET A 1 6.821 0.023 -2.327 1.00 43.11 C ATOM 0 H1 MET A 1 0.614 0.483 0.416 1.00 60.13 H new ATOM 0 H2 MET A 1 0.071 -1.087 0.065 1.00 60.13 H new ATOM 0 H3 MET A 1 1.467 -0.863 1.006 1.00 60.13 H new ATOM 0 HA MET A 1 1.807 0.520 -1.366 1.00 70.53 H new ATOM 0 HB2 MET A 1 3.410 -0.725 0.320 1.00 73.03 H new ATOM 0 HB3 MET A 1 3.110 -2.122 -0.695 1.00 73.03 H new ATOM 0 HG2 MET A 1 4.101 -1.106 -2.597 1.00 24.14 H new ATOM 0 HG3 MET A 1 4.014 0.499 -1.899 1.00 24.14 H new ATOM 0 HE1 MET A 1 7.881 -0.016 -2.074 1.00 43.11 H new ATOM 0 HE2 MET A 1 6.651 -0.512 -3.261 1.00 43.11 H new ATOM 0 HE3 MET A 1 6.514 1.062 -2.443 1.00 43.11 H new ATOM 18 N LEU A 2 1.009 -2.662 -1.842 1.00 21.33 N ATOM 19 CA LEU A 2 0.413 -3.588 -2.799 1.00 2.10 C ATOM 20 C LEU A 2 -0.965 -4.044 -2.330 1.00 42.12 C ATOM 21 O LEU A 2 -1.114 -4.571 -1.227 1.00 12.53 O ATOM 22 CB LEU A 2 1.323 -4.801 -3.000 1.00 3.12 C ATOM 23 CG LEU A 2 0.669 -6.035 -3.622 1.00 44.03 C ATOM 24 CD1 LEU A 2 1.673 -6.800 -4.470 1.00 62.44 C ATOM 25 CD2 LEU A 2 0.088 -6.933 -2.541 1.00 34.34 C ATOM 0 H LEU A 2 1.356 -3.102 -0.990 1.00 21.33 H new ATOM 0 HA LEU A 2 0.299 -3.066 -3.749 1.00 2.10 H new ATOM 0 HB2 LEU A 2 2.160 -4.501 -3.631 1.00 3.12 H new ATOM 0 HB3 LEU A 2 1.738 -5.083 -2.032 1.00 3.12 H new ATOM 0 HG LEU A 2 -0.145 -5.705 -4.268 1.00 44.03 H new ATOM 0 HD11 LEU A 2 1.190 -7.675 -4.905 1.00 62.44 H new ATOM 0 HD12 LEU A 2 2.042 -6.155 -5.268 1.00 62.44 H new ATOM 0 HD13 LEU A 2 2.508 -7.119 -3.846 1.00 62.44 H new ATOM 0 HD21 LEU A 2 -0.373 -7.806 -3.002 1.00 34.34 H new ATOM 0 HD22 LEU A 2 0.884 -7.255 -1.869 1.00 34.34 H new ATOM 0 HD23 LEU A 2 -0.663 -6.382 -1.975 1.00 34.34 H new ATOM 37 N LEU A 3 -1.969 -3.840 -3.176 1.00 22.22 N ATOM 38 CA LEU A 3 -3.336 -4.232 -2.849 1.00 65.54 C ATOM 39 C LEU A 3 -4.032 -4.841 -4.063 1.00 1.35 C ATOM 40 O LEU A 3 -3.754 -4.469 -5.203 1.00 13.31 O ATOM 41 CB LEU A 3 -4.127 -3.025 -2.345 1.00 51.41 C ATOM 42 CG LEU A 3 -4.861 -2.210 -3.411 1.00 61.32 C ATOM 43 CD1 LEU A 3 -5.701 -1.119 -2.765 1.00 70.55 C ATOM 44 CD2 LEU A 3 -3.871 -1.609 -4.399 1.00 21.54 C ATOM 0 H LEU A 3 -1.862 -3.406 -4.093 1.00 22.22 H new ATOM 0 HA LEU A 3 -3.294 -4.984 -2.062 1.00 65.54 H new ATOM 0 HB2 LEU A 3 -4.858 -3.374 -1.616 1.00 51.41 H new ATOM 0 HB3 LEU A 3 -3.442 -2.362 -1.817 1.00 51.41 H new ATOM 0 HG LEU A 3 -5.528 -2.878 -3.956 1.00 61.32 H new ATOM 0 HD11 LEU A 3 -6.216 -0.550 -3.539 1.00 70.55 H new ATOM 0 HD12 LEU A 3 -6.435 -1.572 -2.099 1.00 70.55 H new ATOM 0 HD13 LEU A 3 -5.055 -0.453 -2.194 1.00 70.55 H new ATOM 0 HD21 LEU A 3 -4.411 -1.033 -5.150 1.00 21.54 H new ATOM 0 HD22 LEU A 3 -3.179 -0.955 -3.868 1.00 21.54 H new ATOM 0 HD23 LEU A 3 -3.313 -2.408 -4.887 1.00 21.54 H new ATOM 56 N LYS A 4 -4.940 -5.777 -3.809 1.00 61.12 N ATOM 57 CA LYS A 4 -5.680 -6.435 -4.879 1.00 62.43 C ATOM 58 C LYS A 4 -7.158 -6.064 -4.826 1.00 74.54 C ATOM 59 O LYS A 4 -7.879 -6.471 -3.915 1.00 23.43 O ATOM 60 CB LYS A 4 -5.520 -7.954 -4.778 1.00 72.12 C ATOM 61 CG LYS A 4 -6.386 -8.723 -5.761 1.00 62.40 C ATOM 62 CD LYS A 4 -6.315 -10.221 -5.513 1.00 44.13 C ATOM 63 CE LYS A 4 -5.124 -10.847 -6.223 1.00 23.15 C ATOM 64 NZ LYS A 4 -4.622 -12.052 -5.506 1.00 33.33 N ATOM 0 H LYS A 4 -5.181 -6.097 -2.871 1.00 61.12 H new ATOM 0 HA LYS A 4 -5.272 -6.095 -5.831 1.00 62.43 H new ATOM 0 HB2 LYS A 4 -4.475 -8.213 -4.947 1.00 72.12 H new ATOM 0 HB3 LYS A 4 -5.767 -8.270 -3.764 1.00 72.12 H new ATOM 0 HG2 LYS A 4 -7.420 -8.388 -5.676 1.00 62.40 H new ATOM 0 HG3 LYS A 4 -6.063 -8.506 -6.779 1.00 62.40 H new ATOM 0 HD2 LYS A 4 -6.243 -10.411 -4.442 1.00 44.13 H new ATOM 0 HD3 LYS A 4 -7.235 -10.692 -5.859 1.00 44.13 H new ATOM 0 HE2 LYS A 4 -5.410 -11.121 -7.239 1.00 23.15 H new ATOM 0 HE3 LYS A 4 -4.323 -10.113 -6.305 1.00 23.15 H new ATOM 0 HZ1 LYS A 4 -3.811 -12.449 -6.021 1.00 33.33 H new ATOM 0 HZ2 LYS A 4 -4.326 -11.786 -4.545 1.00 33.33 H new ATOM 0 HZ3 LYS A 4 -5.379 -12.763 -5.450 1.00 33.33 H new ATOM 78 N VAL A 5 -7.605 -5.291 -5.811 1.00 14.35 N ATOM 79 CA VAL A 5 -8.999 -4.867 -5.877 1.00 60.23 C ATOM 80 C VAL A 5 -9.773 -5.685 -6.905 1.00 33.23 C ATOM 81 O VAL A 5 -9.363 -5.802 -8.060 1.00 4.35 O ATOM 82 CB VAL A 5 -9.115 -3.373 -6.234 1.00 32.34 C ATOM 83 CG1 VAL A 5 -8.443 -2.517 -5.171 1.00 42.14 C ATOM 84 CG2 VAL A 5 -8.515 -3.105 -7.605 1.00 43.13 C ATOM 0 H VAL A 5 -7.022 -4.946 -6.574 1.00 14.35 H new ATOM 0 HA VAL A 5 -9.427 -5.031 -4.888 1.00 60.23 H new ATOM 0 HB VAL A 5 -10.171 -3.106 -6.267 1.00 32.34 H new ATOM 0 HG11 VAL A 5 -8.535 -1.465 -5.440 1.00 42.14 H new ATOM 0 HG12 VAL A 5 -8.924 -2.689 -4.208 1.00 42.14 H new ATOM 0 HG13 VAL A 5 -7.388 -2.783 -5.103 1.00 42.14 H new ATOM 0 HG21 VAL A 5 -8.606 -2.045 -7.841 1.00 43.13 H new ATOM 0 HG22 VAL A 5 -7.462 -3.388 -7.603 1.00 43.13 H new ATOM 0 HG23 VAL A 5 -9.046 -3.690 -8.355 1.00 43.13 H new ATOM 94 N LYS A 6 -10.897 -6.251 -6.477 1.00 51.42 N ATOM 95 CA LYS A 6 -11.732 -7.057 -7.359 1.00 70.24 C ATOM 96 C LYS A 6 -13.174 -6.560 -7.349 1.00 1.31 C ATOM 97 O LYS A 6 -13.812 -6.495 -6.298 1.00 0.54 O ATOM 98 CB LYS A 6 -11.685 -8.527 -6.936 1.00 74.23 C ATOM 99 CG LYS A 6 -12.026 -8.750 -5.473 1.00 22.01 C ATOM 100 CD LYS A 6 -11.029 -9.682 -4.804 1.00 51.22 C ATOM 101 CE LYS A 6 -9.693 -8.994 -4.570 1.00 41.35 C ATOM 102 NZ LYS A 6 -9.375 -8.878 -3.120 1.00 64.43 N ATOM 0 H LYS A 6 -11.250 -6.166 -5.524 1.00 51.42 H new ATOM 0 HA LYS A 6 -11.342 -6.964 -8.372 1.00 70.24 H new ATOM 0 HB2 LYS A 6 -12.380 -9.096 -7.553 1.00 74.23 H new ATOM 0 HB3 LYS A 6 -10.688 -8.921 -7.132 1.00 74.23 H new ATOM 0 HG2 LYS A 6 -12.038 -7.793 -4.951 1.00 22.01 H new ATOM 0 HG3 LYS A 6 -13.029 -9.170 -5.392 1.00 22.01 H new ATOM 0 HD2 LYS A 6 -11.434 -10.027 -3.852 1.00 51.22 H new ATOM 0 HD3 LYS A 6 -10.881 -10.565 -5.426 1.00 51.22 H new ATOM 0 HE2 LYS A 6 -8.904 -9.554 -5.071 1.00 41.35 H new ATOM 0 HE3 LYS A 6 -9.713 -8.001 -5.018 1.00 41.35 H new ATOM 0 HZ1 LYS A 6 -8.353 -8.728 -3.000 1.00 64.43 H new ATOM 0 HZ2 LYS A 6 -9.893 -8.073 -2.714 1.00 64.43 H new ATOM 0 HZ3 LYS A 6 -9.656 -9.752 -2.632 1.00 64.43 H new ATOM 116 N THR A 7 -13.683 -6.211 -8.526 1.00 55.42 N ATOM 117 CA THR A 7 -15.050 -5.720 -8.652 1.00 41.43 C ATOM 118 C THR A 7 -16.036 -6.872 -8.808 1.00 41.44 C ATOM 119 O THR A 7 -15.639 -8.018 -9.020 1.00 41.41 O ATOM 120 CB THR A 7 -15.196 -4.767 -9.854 1.00 60.43 C ATOM 121 OG1 THR A 7 -13.923 -4.205 -10.191 1.00 40.31 O ATOM 122 CG2 THR A 7 -16.183 -3.652 -9.544 1.00 70.23 C ATOM 0 H THR A 7 -13.169 -6.259 -9.406 1.00 55.42 H new ATOM 0 HA THR A 7 -15.276 -5.174 -7.736 1.00 41.43 H new ATOM 0 HB THR A 7 -15.575 -5.340 -10.700 1.00 60.43 H new ATOM 0 HG1 THR A 7 -14.024 -3.602 -10.957 1.00 40.31 H new ATOM 0 HG21 THR A 7 -16.269 -2.992 -10.407 1.00 70.23 H new ATOM 0 HG22 THR A 7 -17.158 -4.082 -9.317 1.00 70.23 H new ATOM 0 HG23 THR A 7 -15.829 -3.081 -8.685 1.00 70.23 H new ATOM 130 N VAL A 8 -17.324 -6.560 -8.703 1.00 60.43 N ATOM 131 CA VAL A 8 -18.368 -7.570 -8.835 1.00 24.13 C ATOM 132 C VAL A 8 -18.398 -8.149 -10.245 1.00 11.51 C ATOM 133 O VAL A 8 -19.039 -9.170 -10.494 1.00 43.44 O ATOM 134 CB VAL A 8 -19.755 -6.990 -8.499 1.00 64.53 C ATOM 135 CG1 VAL A 8 -20.182 -5.983 -9.556 1.00 33.03 C ATOM 136 CG2 VAL A 8 -20.780 -8.106 -8.369 1.00 34.24 C ATOM 0 H VAL A 8 -17.669 -5.617 -8.527 1.00 60.43 H new ATOM 0 HA VAL A 8 -18.133 -8.363 -8.126 1.00 24.13 H new ATOM 0 HB VAL A 8 -19.692 -6.472 -7.542 1.00 64.53 H new ATOM 0 HG11 VAL A 8 -21.164 -5.584 -9.302 1.00 33.03 H new ATOM 0 HG12 VAL A 8 -19.458 -5.169 -9.596 1.00 33.03 H new ATOM 0 HG13 VAL A 8 -20.230 -6.474 -10.528 1.00 33.03 H new ATOM 0 HG21 VAL A 8 -21.754 -7.679 -8.131 1.00 34.24 H new ATOM 0 HG22 VAL A 8 -20.843 -8.653 -9.309 1.00 34.24 H new ATOM 0 HG23 VAL A 8 -20.478 -8.786 -7.573 1.00 34.24 H new ATOM 146 N SER A 9 -17.701 -7.489 -11.164 1.00 63.04 N ATOM 147 CA SER A 9 -17.650 -7.936 -12.552 1.00 12.24 C ATOM 148 C SER A 9 -16.506 -8.922 -12.763 1.00 62.33 C ATOM 149 O SER A 9 -16.145 -9.237 -13.896 1.00 61.04 O ATOM 150 CB SER A 9 -17.486 -6.738 -13.490 1.00 34.35 C ATOM 151 OG SER A 9 -18.743 -6.288 -13.966 1.00 2.13 O ATOM 0 H SER A 9 -17.164 -6.643 -10.973 1.00 63.04 H new ATOM 0 HA SER A 9 -18.589 -8.441 -12.780 1.00 12.24 H new ATOM 0 HB2 SER A 9 -16.981 -5.927 -12.965 1.00 34.35 H new ATOM 0 HB3 SER A 9 -16.853 -7.016 -14.332 1.00 34.35 H new ATOM 0 HG SER A 9 -18.612 -5.521 -14.562 1.00 2.13 H new ATOM 157 N ASN A 10 -15.939 -9.406 -11.663 1.00 31.52 N ATOM 158 CA ASN A 10 -14.835 -10.357 -11.727 1.00 21.04 C ATOM 159 C ASN A 10 -13.581 -9.697 -12.293 1.00 32.31 C ATOM 160 O ASN A 10 -12.800 -10.330 -13.004 1.00 55.35 O ATOM 161 CB ASN A 10 -15.222 -11.563 -12.585 1.00 22.34 C ATOM 162 CG ASN A 10 -14.887 -12.881 -11.913 1.00 73.43 C ATOM 163 OD1 ASN A 10 -13.791 -13.416 -12.081 1.00 50.34 O ATOM 164 ND2 ASN A 10 -15.834 -13.412 -11.148 1.00 23.22 N ATOM 0 H ASN A 10 -16.226 -9.156 -10.717 1.00 31.52 H new ATOM 0 HA ASN A 10 -14.620 -10.695 -10.713 1.00 21.04 H new ATOM 0 HB2 ASN A 10 -16.291 -11.527 -12.796 1.00 22.34 H new ATOM 0 HB3 ASN A 10 -14.705 -11.505 -13.543 1.00 22.34 H new ATOM 0 HD21 ASN A 10 -15.667 -14.298 -10.671 1.00 23.22 H new ATOM 0 HD22 ASN A 10 -16.728 -12.934 -11.037 1.00 23.22 H new ATOM 171 N LYS A 11 -13.394 -8.422 -11.972 1.00 11.44 N ATOM 172 CA LYS A 11 -12.235 -7.675 -12.446 1.00 0.25 C ATOM 173 C LYS A 11 -11.229 -7.460 -11.320 1.00 3.24 C ATOM 174 O LYS A 11 -11.289 -6.462 -10.601 1.00 54.23 O ATOM 175 CB LYS A 11 -12.672 -6.325 -13.018 1.00 42.52 C ATOM 176 CG LYS A 11 -13.384 -6.433 -14.355 1.00 41.34 C ATOM 177 CD LYS A 11 -13.576 -5.069 -14.997 1.00 1.41 C ATOM 178 CE LYS A 11 -14.843 -5.021 -15.837 1.00 63.33 C ATOM 179 NZ LYS A 11 -14.575 -5.358 -17.263 1.00 53.41 N ATOM 0 H LYS A 11 -14.031 -7.883 -11.385 1.00 11.44 H new ATOM 0 HA LYS A 11 -11.755 -8.258 -13.232 1.00 0.25 H new ATOM 0 HB2 LYS A 11 -13.332 -5.833 -12.303 1.00 42.52 H new ATOM 0 HB3 LYS A 11 -11.795 -5.688 -13.133 1.00 42.52 H new ATOM 0 HG2 LYS A 11 -12.809 -7.073 -15.024 1.00 41.34 H new ATOM 0 HG3 LYS A 11 -14.354 -6.910 -14.214 1.00 41.34 H new ATOM 0 HD2 LYS A 11 -13.623 -4.304 -14.222 1.00 1.41 H new ATOM 0 HD3 LYS A 11 -12.714 -4.836 -15.623 1.00 1.41 H new ATOM 0 HE2 LYS A 11 -15.575 -5.718 -15.430 1.00 63.33 H new ATOM 0 HE3 LYS A 11 -15.282 -4.025 -15.775 1.00 63.33 H new ATOM 0 HZ1 LYS A 11 -15.463 -5.314 -17.803 1.00 53.41 H new ATOM 0 HZ2 LYS A 11 -13.895 -4.677 -17.659 1.00 53.41 H new ATOM 0 HZ3 LYS A 11 -14.179 -6.318 -17.324 1.00 53.41 H new ATOM 193 N VAL A 12 -10.302 -8.402 -11.172 1.00 14.22 N ATOM 194 CA VAL A 12 -9.281 -8.314 -10.135 1.00 12.21 C ATOM 195 C VAL A 12 -8.012 -7.658 -10.668 1.00 13.25 C ATOM 196 O VAL A 12 -7.545 -7.982 -11.760 1.00 34.12 O ATOM 197 CB VAL A 12 -8.930 -9.704 -9.573 1.00 72.55 C ATOM 198 CG1 VAL A 12 -7.964 -9.581 -8.405 1.00 52.51 C ATOM 199 CG2 VAL A 12 -10.192 -10.444 -9.156 1.00 73.23 C ATOM 0 H VAL A 12 -10.238 -9.235 -11.757 1.00 14.22 H new ATOM 0 HA VAL A 12 -9.695 -7.701 -9.334 1.00 12.21 H new ATOM 0 HB VAL A 12 -8.440 -10.280 -10.358 1.00 72.55 H new ATOM 0 HG11 VAL A 12 -7.728 -10.574 -8.022 1.00 52.51 H new ATOM 0 HG12 VAL A 12 -7.048 -9.094 -8.740 1.00 52.51 H new ATOM 0 HG13 VAL A 12 -8.422 -8.987 -7.615 1.00 52.51 H new ATOM 0 HG21 VAL A 12 -9.925 -11.424 -8.761 1.00 73.23 H new ATOM 0 HG22 VAL A 12 -10.712 -9.872 -8.387 1.00 73.23 H new ATOM 0 HG23 VAL A 12 -10.845 -10.566 -10.020 1.00 73.23 H new ATOM 209 N ILE A 13 -7.459 -6.734 -9.889 1.00 21.20 N ATOM 210 CA ILE A 13 -6.243 -6.034 -10.282 1.00 4.41 C ATOM 211 C ILE A 13 -5.243 -5.980 -9.132 1.00 21.34 C ATOM 212 O ILE A 13 -5.526 -5.412 -8.077 1.00 63.32 O ATOM 213 CB ILE A 13 -6.546 -4.598 -10.750 1.00 71.13 C ATOM 214 CG1 ILE A 13 -7.579 -4.614 -11.879 1.00 34.33 C ATOM 215 CG2 ILE A 13 -5.269 -3.908 -11.204 1.00 44.05 C ATOM 216 CD1 ILE A 13 -7.112 -5.349 -13.115 1.00 71.44 C ATOM 0 H ILE A 13 -7.834 -6.453 -8.983 1.00 21.20 H new ATOM 0 HA ILE A 13 -5.811 -6.595 -11.111 1.00 4.41 H new ATOM 0 HB ILE A 13 -6.960 -4.038 -9.911 1.00 71.13 H new ATOM 0 HG12 ILE A 13 -8.496 -5.078 -11.515 1.00 34.33 H new ATOM 0 HG13 ILE A 13 -7.827 -3.587 -12.149 1.00 34.33 H new ATOM 0 HG21 ILE A 13 -5.500 -2.894 -11.532 1.00 44.05 H new ATOM 0 HG22 ILE A 13 -4.562 -3.869 -10.375 1.00 44.05 H new ATOM 0 HG23 ILE A 13 -4.829 -4.465 -12.031 1.00 44.05 H new ATOM 0 HD11 ILE A 13 -7.895 -5.320 -13.873 1.00 71.44 H new ATOM 0 HD12 ILE A 13 -6.212 -4.872 -13.504 1.00 71.44 H new ATOM 0 HD13 ILE A 13 -6.892 -6.386 -12.860 1.00 71.44 H new ATOM 228 N GLN A 14 -4.073 -6.574 -9.344 1.00 20.33 N ATOM 229 CA GLN A 14 -3.031 -6.593 -8.324 1.00 64.23 C ATOM 230 C GLN A 14 -1.907 -5.624 -8.677 1.00 10.14 C ATOM 231 O GLN A 14 -1.203 -5.810 -9.670 1.00 2.45 O ATOM 232 CB GLN A 14 -2.469 -8.007 -8.165 1.00 72.10 C ATOM 233 CG GLN A 14 -1.603 -8.182 -6.928 1.00 32.11 C ATOM 234 CD GLN A 14 -0.489 -9.189 -7.133 1.00 44.14 C ATOM 235 OE1 GLN A 14 0.057 -9.313 -8.230 1.00 60.12 O ATOM 236 NE2 GLN A 14 -0.144 -9.915 -6.076 1.00 42.22 N ATOM 0 H GLN A 14 -3.823 -7.048 -10.212 1.00 20.33 H new ATOM 0 HA GLN A 14 -3.476 -6.278 -7.380 1.00 64.23 H new ATOM 0 HB2 GLN A 14 -3.296 -8.715 -8.122 1.00 72.10 H new ATOM 0 HB3 GLN A 14 -1.881 -8.257 -9.048 1.00 72.10 H new ATOM 0 HG2 GLN A 14 -1.171 -7.220 -6.652 1.00 32.11 H new ATOM 0 HG3 GLN A 14 -2.228 -8.502 -6.094 1.00 32.11 H new ATOM 0 HE21 GLN A 14 -0.623 -9.779 -5.186 1.00 42.22 H new ATOM 0 HE22 GLN A 14 0.600 -10.608 -6.154 1.00 42.22 H new ATOM 245 N ILE A 15 -1.745 -4.590 -7.857 1.00 75.35 N ATOM 246 CA ILE A 15 -0.707 -3.593 -8.083 1.00 0.42 C ATOM 247 C ILE A 15 0.301 -3.580 -6.939 1.00 31.24 C ATOM 248 O ILE A 15 -0.019 -3.953 -5.809 1.00 73.34 O ATOM 249 CB ILE A 15 -1.306 -2.182 -8.240 1.00 63.41 C ATOM 250 CG1 ILE A 15 -1.699 -1.616 -6.874 1.00 71.41 C ATOM 251 CG2 ILE A 15 -2.508 -2.218 -9.171 1.00 35.40 C ATOM 252 CD1 ILE A 15 -2.463 -0.314 -6.957 1.00 51.51 C ATOM 0 H ILE A 15 -2.319 -4.422 -7.031 1.00 75.35 H new ATOM 0 HA ILE A 15 -0.200 -3.869 -9.008 1.00 0.42 H new ATOM 0 HB ILE A 15 -0.551 -1.529 -8.679 1.00 63.41 H new ATOM 0 HG12 ILE A 15 -2.306 -2.351 -6.346 1.00 71.41 H new ATOM 0 HG13 ILE A 15 -0.798 -1.462 -6.281 1.00 71.41 H new ATOM 0 HG21 ILE A 15 -2.920 -1.214 -9.272 1.00 35.40 H new ATOM 0 HG22 ILE A 15 -2.199 -2.584 -10.150 1.00 35.40 H new ATOM 0 HG23 ILE A 15 -3.268 -2.882 -8.759 1.00 35.40 H new ATOM 0 HD11 ILE A 15 -2.709 0.028 -5.952 1.00 51.51 H new ATOM 0 HD12 ILE A 15 -1.850 0.436 -7.456 1.00 51.51 H new ATOM 0 HD13 ILE A 15 -3.382 -0.467 -7.523 1.00 51.51 H new ATOM 264 N THR A 16 1.522 -3.147 -7.237 1.00 52.41 N ATOM 265 CA THR A 16 2.577 -3.084 -6.234 1.00 62.20 C ATOM 266 C THR A 16 3.143 -1.673 -6.118 1.00 35.33 C ATOM 267 O THR A 16 4.358 -1.480 -6.117 1.00 1.41 O ATOM 268 CB THR A 16 3.724 -4.059 -6.564 1.00 14.25 C ATOM 269 OG1 THR A 16 4.500 -3.551 -7.655 1.00 33.43 O ATOM 270 CG2 THR A 16 3.179 -5.434 -6.918 1.00 64.42 C ATOM 0 H THR A 16 1.804 -2.835 -8.166 1.00 52.41 H new ATOM 0 HA THR A 16 2.127 -3.371 -5.284 1.00 62.20 H new ATOM 0 HB THR A 16 4.358 -4.153 -5.682 1.00 14.25 H new ATOM 0 HG1 THR A 16 4.859 -2.670 -7.419 1.00 33.43 H new ATOM 0 HG21 THR A 16 4.007 -6.105 -7.147 1.00 64.42 H new ATOM 0 HG22 THR A 16 2.614 -5.830 -6.074 1.00 64.42 H new ATOM 0 HG23 THR A 16 2.526 -5.354 -7.787 1.00 64.42 H new ATOM 278 N SER A 17 2.253 -0.691 -6.019 1.00 10.32 N ATOM 279 CA SER A 17 2.664 0.704 -5.905 1.00 31.21 C ATOM 280 C SER A 17 1.484 1.587 -5.511 1.00 41.41 C ATOM 281 O SER A 17 0.796 2.143 -6.368 1.00 42.34 O ATOM 282 CB SER A 17 3.262 1.191 -7.226 1.00 72.12 C ATOM 283 OG SER A 17 3.256 2.606 -7.297 1.00 42.25 O ATOM 0 H SER A 17 1.243 -0.835 -6.015 1.00 10.32 H new ATOM 0 HA SER A 17 3.422 0.771 -5.125 1.00 31.21 H new ATOM 0 HB2 SER A 17 4.283 0.823 -7.324 1.00 72.12 H new ATOM 0 HB3 SER A 17 2.693 0.779 -8.060 1.00 72.12 H new ATOM 0 HG SER A 17 2.331 2.927 -7.344 1.00 42.25 H new ATOM 289 N LEU A 18 1.256 1.712 -4.208 1.00 52.35 N ATOM 290 CA LEU A 18 0.159 2.528 -3.699 1.00 2.33 C ATOM 291 C LEU A 18 0.683 3.824 -3.089 1.00 11.55 C ATOM 292 O LEU A 18 1.816 3.886 -2.611 1.00 65.21 O ATOM 293 CB LEU A 18 -0.642 1.747 -2.655 1.00 44.14 C ATOM 294 CG LEU A 18 -1.760 0.856 -3.197 1.00 21.01 C ATOM 295 CD1 LEU A 18 -2.308 -0.040 -2.097 1.00 61.43 C ATOM 296 CD2 LEU A 18 -2.871 1.702 -3.801 1.00 11.31 C ATOM 0 H LEU A 18 1.816 1.259 -3.485 1.00 52.35 H new ATOM 0 HA LEU A 18 -0.493 2.779 -4.535 1.00 2.33 H new ATOM 0 HB2 LEU A 18 0.049 1.124 -2.087 1.00 44.14 H new ATOM 0 HB3 LEU A 18 -1.079 2.459 -1.954 1.00 44.14 H new ATOM 0 HG LEU A 18 -1.346 0.223 -3.981 1.00 21.01 H new ATOM 0 HD11 LEU A 18 -3.103 -0.667 -2.501 1.00 61.43 H new ATOM 0 HD12 LEU A 18 -1.508 -0.672 -1.710 1.00 61.43 H new ATOM 0 HD13 LEU A 18 -2.706 0.576 -1.291 1.00 61.43 H new ATOM 0 HD21 LEU A 18 -3.658 1.051 -4.182 1.00 11.31 H new ATOM 0 HD22 LEU A 18 -3.283 2.361 -3.037 1.00 11.31 H new ATOM 0 HD23 LEU A 18 -2.469 2.301 -4.618 1.00 11.31 H new ATOM 308 N THR A 19 -0.151 4.860 -3.105 1.00 60.23 N ATOM 309 CA THR A 19 0.227 6.155 -2.553 1.00 72.51 C ATOM 310 C THR A 19 -0.004 6.198 -1.047 1.00 4.21 C ATOM 311 O THR A 19 -0.502 5.239 -0.457 1.00 50.14 O ATOM 312 CB THR A 19 -0.562 7.300 -3.215 1.00 75.42 C ATOM 313 OG1 THR A 19 -1.098 6.864 -4.470 1.00 2.12 O ATOM 314 CG2 THR A 19 0.326 8.515 -3.432 1.00 4.02 C ATOM 0 H THR A 19 -1.093 4.827 -3.495 1.00 60.23 H new ATOM 0 HA THR A 19 1.289 6.289 -2.759 1.00 72.51 H new ATOM 0 HB THR A 19 -1.378 7.581 -2.549 1.00 75.42 H new ATOM 0 HG1 THR A 19 -1.600 7.597 -4.884 1.00 2.12 H new ATOM 0 HG21 THR A 19 -0.254 9.310 -3.901 1.00 4.02 H new ATOM 0 HG22 THR A 19 0.709 8.862 -2.472 1.00 4.02 H new ATOM 0 HG23 THR A 19 1.161 8.245 -4.079 1.00 4.02 H new ATOM 322 N ASP A 20 0.361 7.316 -0.430 1.00 4.44 N ATOM 323 CA ASP A 20 0.193 7.486 1.009 1.00 35.20 C ATOM 324 C ASP A 20 -0.632 8.732 1.316 1.00 32.34 C ATOM 325 O ASP A 20 -0.816 9.096 2.478 1.00 21.41 O ATOM 326 CB ASP A 20 1.556 7.579 1.697 1.00 75.24 C ATOM 327 CG ASP A 20 2.589 8.283 0.840 1.00 63.11 C ATOM 328 OD1 ASP A 20 2.358 9.454 0.472 1.00 33.21 O ATOM 329 OD2 ASP A 20 3.630 7.663 0.538 1.00 45.30 O ATOM 0 H ASP A 20 0.775 8.119 -0.904 1.00 4.44 H new ATOM 0 HA ASP A 20 -0.339 6.616 1.393 1.00 35.20 H new ATOM 0 HB2 ASP A 20 1.447 8.112 2.642 1.00 75.24 H new ATOM 0 HB3 ASP A 20 1.909 6.576 1.936 1.00 75.24 H new ATOM 334 N ASP A 21 -1.126 9.382 0.268 1.00 24.32 N ATOM 335 CA ASP A 21 -1.931 10.587 0.426 1.00 41.32 C ATOM 336 C ASP A 21 -3.419 10.256 0.386 1.00 73.40 C ATOM 337 O ASP A 21 -4.179 10.660 1.265 1.00 50.42 O ATOM 338 CB ASP A 21 -1.592 11.600 -0.669 1.00 62.45 C ATOM 339 CG ASP A 21 -0.951 12.857 -0.117 1.00 4.30 C ATOM 340 OD1 ASP A 21 0.288 12.873 0.037 1.00 24.40 O ATOM 341 OD2 ASP A 21 -1.688 13.826 0.162 1.00 1.13 O ATOM 0 H ASP A 21 -0.983 9.094 -0.700 1.00 24.32 H new ATOM 0 HA ASP A 21 -1.700 11.023 1.398 1.00 41.32 H new ATOM 0 HB2 ASP A 21 -0.918 11.139 -1.390 1.00 62.45 H new ATOM 0 HB3 ASP A 21 -2.501 11.866 -1.208 1.00 62.45 H new ATOM 346 N ASN A 22 -3.829 9.517 -0.641 1.00 4.24 N ATOM 347 CA ASN A 22 -5.227 9.132 -0.796 1.00 2.50 C ATOM 348 C ASN A 22 -5.385 7.616 -0.728 1.00 44.54 C ATOM 349 O ASN A 22 -6.300 7.104 -0.083 1.00 63.10 O ATOM 350 CB ASN A 22 -5.776 9.655 -2.125 1.00 35.02 C ATOM 351 CG ASN A 22 -6.141 11.126 -2.062 1.00 23.35 C ATOM 352 OD1 ASN A 22 -5.808 11.818 -1.099 1.00 51.15 O ATOM 353 ND2 ASN A 22 -6.828 11.610 -3.090 1.00 21.43 N ATOM 0 H ASN A 22 -3.213 9.173 -1.378 1.00 4.24 H new ATOM 0 HA ASN A 22 -5.794 9.575 0.023 1.00 2.50 H new ATOM 0 HB2 ASN A 22 -5.033 9.501 -2.907 1.00 35.02 H new ATOM 0 HB3 ASN A 22 -6.657 9.077 -2.404 1.00 35.02 H new ATOM 0 HD21 ASN A 22 -7.102 12.593 -3.103 1.00 21.43 H new ATOM 0 HD22 ASN A 22 -7.082 10.999 -3.866 1.00 21.43 H new ATOM 360 N THR A 23 -4.485 6.903 -1.399 1.00 75.22 N ATOM 361 CA THR A 23 -4.524 5.446 -1.416 1.00 54.03 C ATOM 362 C THR A 23 -5.827 4.938 -2.023 1.00 72.11 C ATOM 363 O THR A 23 -5.878 4.588 -3.203 1.00 32.34 O ATOM 364 CB THR A 23 -4.370 4.863 0.001 1.00 1.32 C ATOM 365 OG1 THR A 23 -3.074 5.179 0.522 1.00 12.44 O ATOM 366 CG2 THR A 23 -4.563 3.354 -0.010 1.00 53.40 C ATOM 0 H THR A 23 -3.721 7.311 -1.937 1.00 75.22 H new ATOM 0 HA THR A 23 -3.686 5.115 -2.030 1.00 54.03 H new ATOM 0 HB THR A 23 -5.136 5.306 0.637 1.00 1.32 H new ATOM 0 HG1 THR A 23 -3.079 5.075 1.496 1.00 12.44 H new ATOM 0 HG21 THR A 23 -4.449 2.965 1.002 1.00 53.40 H new ATOM 0 HG22 THR A 23 -5.561 3.117 -0.380 1.00 53.40 H new ATOM 0 HG23 THR A 23 -3.817 2.897 -0.660 1.00 53.40 H new ATOM 374 N ILE A 24 -6.878 4.901 -1.211 1.00 20.12 N ATOM 375 CA ILE A 24 -8.181 4.437 -1.669 1.00 55.14 C ATOM 376 C ILE A 24 -8.836 5.460 -2.591 1.00 41.35 C ATOM 377 O ILE A 24 -9.314 5.120 -3.673 1.00 61.11 O ATOM 378 CB ILE A 24 -9.125 4.151 -0.487 1.00 34.05 C ATOM 379 CG1 ILE A 24 -8.471 3.172 0.491 1.00 54.21 C ATOM 380 CG2 ILE A 24 -10.452 3.600 -0.989 1.00 3.15 C ATOM 381 CD1 ILE A 24 -7.764 3.851 1.643 1.00 64.33 C ATOM 0 H ILE A 24 -6.852 5.187 -0.232 1.00 20.12 H new ATOM 0 HA ILE A 24 -8.010 3.512 -2.219 1.00 55.14 H new ATOM 0 HB ILE A 24 -9.318 5.086 0.039 1.00 34.05 H new ATOM 0 HG12 ILE A 24 -9.234 2.503 0.888 1.00 54.21 H new ATOM 0 HG13 ILE A 24 -7.755 2.554 -0.051 1.00 54.21 H new ATOM 0 HG21 ILE A 24 -11.108 3.403 -0.141 1.00 3.15 H new ATOM 0 HG22 ILE A 24 -10.922 4.328 -1.650 1.00 3.15 H new ATOM 0 HG23 ILE A 24 -10.278 2.673 -1.536 1.00 3.15 H new ATOM 0 HD11 ILE A 24 -7.324 3.097 2.295 1.00 64.33 H new ATOM 0 HD12 ILE A 24 -6.978 4.499 1.256 1.00 64.33 H new ATOM 0 HD13 ILE A 24 -8.480 4.447 2.209 1.00 64.33 H new ATOM 393 N ALA A 25 -8.852 6.716 -2.156 1.00 62.13 N ATOM 394 CA ALA A 25 -9.444 7.790 -2.944 1.00 63.02 C ATOM 395 C ALA A 25 -8.777 7.900 -4.311 1.00 63.00 C ATOM 396 O ALA A 25 -9.441 8.146 -5.317 1.00 62.33 O ATOM 397 CB ALA A 25 -9.341 9.111 -2.197 1.00 2.23 C ATOM 0 H ALA A 25 -8.462 7.015 -1.262 1.00 62.13 H new ATOM 0 HA ALA A 25 -10.497 7.555 -3.100 1.00 63.02 H new ATOM 0 HB1 ALA A 25 -9.787 9.904 -2.797 1.00 2.23 H new ATOM 0 HB2 ALA A 25 -9.870 9.034 -1.247 1.00 2.23 H new ATOM 0 HB3 ALA A 25 -8.292 9.343 -2.011 1.00 2.23 H new ATOM 403 N GLU A 26 -7.460 7.717 -4.339 1.00 12.05 N ATOM 404 CA GLU A 26 -6.704 7.798 -5.583 1.00 33.32 C ATOM 405 C GLU A 26 -7.042 6.627 -6.502 1.00 31.15 C ATOM 406 O GLU A 26 -7.161 6.791 -7.717 1.00 21.54 O ATOM 407 CB GLU A 26 -5.202 7.816 -5.293 1.00 31.43 C ATOM 408 CG GLU A 26 -4.340 7.825 -6.544 1.00 75.42 C ATOM 409 CD GLU A 26 -3.418 9.027 -6.609 1.00 34.30 C ATOM 410 OE1 GLU A 26 -3.842 10.122 -6.184 1.00 51.14 O ATOM 411 OE2 GLU A 26 -2.274 8.872 -7.084 1.00 50.41 O ATOM 0 H GLU A 26 -6.895 7.512 -3.515 1.00 12.05 H new ATOM 0 HA GLU A 26 -6.980 8.724 -6.087 1.00 33.32 H new ATOM 0 HB2 GLU A 26 -4.967 8.696 -4.694 1.00 31.43 H new ATOM 0 HB3 GLU A 26 -4.946 6.943 -4.692 1.00 31.43 H new ATOM 0 HG2 GLU A 26 -3.744 6.913 -6.577 1.00 75.42 H new ATOM 0 HG3 GLU A 26 -4.983 7.817 -7.424 1.00 75.42 H new ATOM 418 N LEU A 27 -7.195 5.446 -5.913 1.00 21.11 N ATOM 419 CA LEU A 27 -7.519 4.246 -6.677 1.00 45.32 C ATOM 420 C LEU A 27 -8.914 4.347 -7.284 1.00 53.31 C ATOM 421 O LEU A 27 -9.104 4.102 -8.476 1.00 15.54 O ATOM 422 CB LEU A 27 -7.427 3.008 -5.784 1.00 0.24 C ATOM 423 CG LEU A 27 -6.372 1.973 -6.177 1.00 13.13 C ATOM 424 CD1 LEU A 27 -6.661 1.417 -7.562 1.00 71.43 C ATOM 425 CD2 LEU A 27 -4.980 2.585 -6.125 1.00 62.51 C ATOM 0 H LEU A 27 -7.100 5.294 -4.909 1.00 21.11 H new ATOM 0 HA LEU A 27 -6.796 4.156 -7.488 1.00 45.32 H new ATOM 0 HB2 LEU A 27 -7.224 3.335 -4.764 1.00 0.24 H new ATOM 0 HB3 LEU A 27 -8.401 2.519 -5.774 1.00 0.24 H new ATOM 0 HG LEU A 27 -6.412 1.151 -5.462 1.00 13.13 H new ATOM 0 HD11 LEU A 27 -5.900 0.682 -7.825 1.00 71.43 H new ATOM 0 HD12 LEU A 27 -7.642 0.941 -7.566 1.00 71.43 H new ATOM 0 HD13 LEU A 27 -6.649 2.228 -8.290 1.00 71.43 H new ATOM 0 HD21 LEU A 27 -4.242 1.834 -6.408 1.00 62.51 H new ATOM 0 HD22 LEU A 27 -4.926 3.426 -6.817 1.00 62.51 H new ATOM 0 HD23 LEU A 27 -4.774 2.934 -5.113 1.00 62.51 H new ATOM 437 N LYS A 28 -9.888 4.712 -6.457 1.00 74.41 N ATOM 438 CA LYS A 28 -11.267 4.849 -6.912 1.00 0.34 C ATOM 439 C LYS A 28 -11.397 5.986 -7.920 1.00 5.41 C ATOM 440 O LYS A 28 -12.120 5.873 -8.908 1.00 71.14 O ATOM 441 CB LYS A 28 -12.195 5.101 -5.721 1.00 73.22 C ATOM 442 CG LYS A 28 -11.919 6.409 -5.000 1.00 74.05 C ATOM 443 CD LYS A 28 -12.774 6.549 -3.752 1.00 21.32 C ATOM 444 CE LYS A 28 -14.254 6.628 -4.095 1.00 64.10 C ATOM 445 NZ LYS A 28 -14.962 5.354 -3.791 1.00 73.15 N ATOM 0 H LYS A 28 -9.748 4.918 -5.468 1.00 74.41 H new ATOM 0 HA LYS A 28 -11.556 3.919 -7.401 1.00 0.34 H new ATOM 0 HB2 LYS A 28 -13.228 5.099 -6.069 1.00 73.22 H new ATOM 0 HB3 LYS A 28 -12.096 4.278 -5.013 1.00 73.22 H new ATOM 0 HG2 LYS A 28 -10.865 6.460 -4.727 1.00 74.05 H new ATOM 0 HG3 LYS A 28 -12.115 7.244 -5.672 1.00 74.05 H new ATOM 0 HD2 LYS A 28 -12.597 5.700 -3.092 1.00 21.32 H new ATOM 0 HD3 LYS A 28 -12.478 7.444 -3.206 1.00 21.32 H new ATOM 0 HE2 LYS A 28 -14.714 7.442 -3.534 1.00 64.10 H new ATOM 0 HE3 LYS A 28 -14.370 6.864 -5.153 1.00 64.10 H new ATOM 0 HZ1 LYS A 28 -15.968 5.448 -4.039 1.00 73.15 H new ATOM 0 HZ2 LYS A 28 -14.540 4.582 -4.345 1.00 73.15 H new ATOM 0 HZ3 LYS A 28 -14.874 5.141 -2.777 1.00 73.15 H new ATOM 459 N GLY A 29 -10.689 7.083 -7.663 1.00 61.55 N ATOM 460 CA GLY A 29 -10.738 8.224 -8.559 1.00 31.42 C ATOM 461 C GLY A 29 -10.106 7.932 -9.905 1.00 60.22 C ATOM 462 O GLY A 29 -10.539 8.458 -10.930 1.00 51.25 O ATOM 0 H GLY A 29 -10.083 7.201 -6.851 1.00 61.55 H new ATOM 0 HA2 GLY A 29 -11.776 8.522 -8.706 1.00 31.42 H new ATOM 0 HA3 GLY A 29 -10.226 9.068 -8.096 1.00 31.42 H new ATOM 466 N LYS A 30 -9.077 7.091 -9.904 1.00 42.32 N ATOM 467 CA LYS A 30 -8.382 6.730 -11.134 1.00 74.22 C ATOM 468 C LYS A 30 -9.205 5.740 -11.953 1.00 31.13 C ATOM 469 O LYS A 30 -9.218 5.796 -13.183 1.00 61.32 O ATOM 470 CB LYS A 30 -7.013 6.128 -10.813 1.00 23.43 C ATOM 471 CG LYS A 30 -5.954 7.166 -10.485 1.00 23.14 C ATOM 472 CD LYS A 30 -4.913 7.269 -11.587 1.00 73.02 C ATOM 473 CE LYS A 30 -3.600 6.620 -11.177 1.00 11.31 C ATOM 474 NZ LYS A 30 -2.574 6.717 -12.252 1.00 1.53 N ATOM 0 H LYS A 30 -8.706 6.646 -9.064 1.00 42.32 H new ATOM 0 HA LYS A 30 -8.244 7.637 -11.723 1.00 74.22 H new ATOM 0 HB2 LYS A 30 -7.114 5.445 -9.969 1.00 23.43 H new ATOM 0 HB3 LYS A 30 -6.678 5.535 -11.664 1.00 23.43 H new ATOM 0 HG2 LYS A 30 -6.428 8.137 -10.339 1.00 23.14 H new ATOM 0 HG3 LYS A 30 -5.466 6.905 -9.546 1.00 23.14 H new ATOM 0 HD2 LYS A 30 -5.290 6.790 -12.491 1.00 73.02 H new ATOM 0 HD3 LYS A 30 -4.741 8.318 -11.830 1.00 73.02 H new ATOM 0 HE2 LYS A 30 -3.225 7.099 -10.273 1.00 11.31 H new ATOM 0 HE3 LYS A 30 -3.773 5.572 -10.934 1.00 11.31 H new ATOM 0 HZ1 LYS A 30 -1.694 6.263 -11.934 1.00 1.53 H new ATOM 0 HZ2 LYS A 30 -2.921 6.238 -13.107 1.00 1.53 H new ATOM 0 HZ3 LYS A 30 -2.390 7.718 -12.467 1.00 1.53 H new ATOM 488 N LEU A 31 -9.892 4.836 -11.263 1.00 62.10 N ATOM 489 CA LEU A 31 -10.719 3.834 -11.926 1.00 52.13 C ATOM 490 C LEU A 31 -11.943 4.478 -12.570 1.00 41.12 C ATOM 491 O LEU A 31 -12.292 4.168 -13.709 1.00 3.22 O ATOM 492 CB LEU A 31 -11.159 2.764 -10.926 1.00 31.30 C ATOM 493 CG LEU A 31 -11.534 1.405 -11.518 1.00 61.24 C ATOM 494 CD1 LEU A 31 -11.177 0.285 -10.553 1.00 61.04 C ATOM 495 CD2 LEU A 31 -13.016 1.363 -11.862 1.00 2.21 C ATOM 0 H LEU A 31 -9.893 4.776 -10.245 1.00 62.10 H new ATOM 0 HA LEU A 31 -10.122 3.367 -12.709 1.00 52.13 H new ATOM 0 HB2 LEU A 31 -10.354 2.615 -10.207 1.00 31.30 H new ATOM 0 HB3 LEU A 31 -12.016 3.145 -10.371 1.00 31.30 H new ATOM 0 HG LEU A 31 -10.964 1.261 -12.436 1.00 61.24 H new ATOM 0 HD11 LEU A 31 -11.451 -0.674 -10.992 1.00 61.04 H new ATOM 0 HD12 LEU A 31 -10.105 0.301 -10.357 1.00 61.04 H new ATOM 0 HD13 LEU A 31 -11.719 0.424 -9.617 1.00 61.04 H new ATOM 0 HD21 LEU A 31 -13.265 0.388 -12.282 1.00 2.21 H new ATOM 0 HD22 LEU A 31 -13.604 1.530 -10.959 1.00 2.21 H new ATOM 0 HD23 LEU A 31 -13.242 2.141 -12.591 1.00 2.21 H new ATOM 507 N GLU A 32 -12.589 5.377 -11.834 1.00 3.01 N ATOM 508 CA GLU A 32 -13.773 6.065 -12.335 1.00 5.43 C ATOM 509 C GLU A 32 -13.410 7.013 -13.475 1.00 24.51 C ATOM 510 O GLU A 32 -14.135 7.116 -14.464 1.00 23.24 O ATOM 511 CB GLU A 32 -14.452 6.845 -11.207 1.00 31.43 C ATOM 512 CG GLU A 32 -13.532 7.833 -10.510 1.00 33.25 C ATOM 513 CD GLU A 32 -13.558 9.206 -11.151 1.00 42.45 C ATOM 514 OE1 GLU A 32 -14.234 9.363 -12.190 1.00 32.23 O ATOM 515 OE2 GLU A 32 -12.902 10.124 -10.616 1.00 42.25 O ATOM 0 H GLU A 32 -12.313 5.646 -10.890 1.00 3.01 H new ATOM 0 HA GLU A 32 -14.464 5.313 -12.716 1.00 5.43 H new ATOM 0 HB2 GLU A 32 -15.308 7.383 -11.613 1.00 31.43 H new ATOM 0 HB3 GLU A 32 -14.839 6.140 -10.471 1.00 31.43 H new ATOM 0 HG2 GLU A 32 -13.824 7.919 -9.463 1.00 33.25 H new ATOM 0 HG3 GLU A 32 -12.512 7.448 -10.526 1.00 33.25 H new ATOM 522 N GLU A 33 -12.282 7.702 -13.328 1.00 34.22 N ATOM 523 CA GLU A 33 -11.824 8.641 -14.344 1.00 51.35 C ATOM 524 C GLU A 33 -11.394 7.906 -15.611 1.00 21.15 C ATOM 525 O GLU A 33 -11.581 8.400 -16.722 1.00 53.12 O ATOM 526 CB GLU A 33 -10.662 9.480 -13.809 1.00 22.02 C ATOM 527 CG GLU A 33 -10.401 10.743 -14.613 1.00 30.42 C ATOM 528 CD GLU A 33 -9.090 10.690 -15.372 1.00 44.22 C ATOM 529 OE1 GLU A 33 -8.048 10.414 -14.741 1.00 13.12 O ATOM 530 OE2 GLU A 33 -9.105 10.925 -16.599 1.00 12.22 O ATOM 0 H GLU A 33 -11.670 7.627 -12.516 1.00 34.22 H new ATOM 0 HA GLU A 33 -12.655 9.301 -14.592 1.00 51.35 H new ATOM 0 HB2 GLU A 33 -10.869 9.754 -12.775 1.00 22.02 H new ATOM 0 HB3 GLU A 33 -9.758 8.871 -13.802 1.00 22.02 H new ATOM 0 HG2 GLU A 33 -11.219 10.896 -15.317 1.00 30.42 H new ATOM 0 HG3 GLU A 33 -10.393 11.602 -13.942 1.00 30.42 H new ATOM 537 N SER A 34 -10.816 6.722 -15.433 1.00 3.42 N ATOM 538 CA SER A 34 -10.354 5.920 -16.560 1.00 14.04 C ATOM 539 C SER A 34 -11.525 5.500 -17.443 1.00 34.22 C ATOM 540 O SER A 34 -11.443 5.557 -18.669 1.00 63.21 O ATOM 541 CB SER A 34 -9.608 4.682 -16.060 1.00 20.34 C ATOM 542 OG SER A 34 -9.090 3.927 -17.141 1.00 75.25 O ATOM 0 H SER A 34 -10.657 6.297 -14.519 1.00 3.42 H new ATOM 0 HA SER A 34 -9.674 6.530 -17.154 1.00 14.04 H new ATOM 0 HB2 SER A 34 -8.794 4.985 -15.401 1.00 20.34 H new ATOM 0 HB3 SER A 34 -10.282 4.062 -15.469 1.00 20.34 H new ATOM 0 HG SER A 34 -8.616 3.142 -16.795 1.00 75.25 H new ATOM 548 N GLU A 35 -12.615 5.078 -16.809 1.00 31.12 N ATOM 549 CA GLU A 35 -13.803 4.647 -17.537 1.00 1.13 C ATOM 550 C GLU A 35 -14.613 5.848 -18.016 1.00 43.40 C ATOM 551 O GLU A 35 -15.584 5.701 -18.756 1.00 71.54 O ATOM 552 CB GLU A 35 -14.673 3.752 -16.652 1.00 72.55 C ATOM 553 CG GLU A 35 -14.198 2.309 -16.592 1.00 52.54 C ATOM 554 CD GLU A 35 -14.798 1.451 -17.689 1.00 54.41 C ATOM 555 OE1 GLU A 35 -16.038 1.469 -17.844 1.00 24.21 O ATOM 556 OE2 GLU A 35 -14.030 0.763 -18.392 1.00 22.30 O ATOM 0 H GLU A 35 -12.700 5.025 -15.794 1.00 31.12 H new ATOM 0 HA GLU A 35 -13.478 4.079 -18.409 1.00 1.13 H new ATOM 0 HB2 GLU A 35 -14.692 4.162 -15.642 1.00 72.55 H new ATOM 0 HB3 GLU A 35 -15.697 3.773 -17.024 1.00 72.55 H new ATOM 0 HG2 GLU A 35 -13.111 2.285 -16.670 1.00 52.54 H new ATOM 0 HG3 GLU A 35 -14.457 1.885 -15.622 1.00 52.54 H new ATOM 563 N GLY A 36 -14.205 7.039 -17.587 1.00 0.11 N ATOM 564 CA GLY A 36 -14.903 8.249 -17.981 1.00 72.30 C ATOM 565 C GLY A 36 -15.995 8.633 -17.002 1.00 41.02 C ATOM 566 O GLY A 36 -16.137 9.804 -16.650 1.00 15.31 O ATOM 0 H GLY A 36 -13.404 7.187 -16.974 1.00 0.11 H new ATOM 0 HA2 GLY A 36 -14.188 9.067 -18.062 1.00 72.30 H new ATOM 0 HA3 GLY A 36 -15.339 8.108 -18.970 1.00 72.30 H new ATOM 570 N ILE A 37 -16.768 7.646 -16.563 1.00 72.32 N ATOM 571 CA ILE A 37 -17.853 7.887 -15.620 1.00 2.22 C ATOM 572 C ILE A 37 -17.916 6.790 -14.563 1.00 13.24 C ATOM 573 O ILE A 37 -17.476 5.661 -14.777 1.00 72.42 O ATOM 574 CB ILE A 37 -19.213 7.973 -16.336 1.00 53.43 C ATOM 575 CG1 ILE A 37 -19.370 6.814 -17.322 1.00 22.52 C ATOM 576 CG2 ILE A 37 -19.350 9.308 -17.054 1.00 72.33 C ATOM 577 CD1 ILE A 37 -20.738 6.169 -17.284 1.00 24.20 C ATOM 0 H ILE A 37 -16.663 6.671 -16.845 1.00 72.32 H new ATOM 0 HA ILE A 37 -17.645 8.842 -15.137 1.00 2.22 H new ATOM 0 HB ILE A 37 -20.004 7.900 -15.590 1.00 53.43 H new ATOM 0 HG12 ILE A 37 -19.177 7.178 -18.331 1.00 22.52 H new ATOM 0 HG13 ILE A 37 -18.615 6.058 -17.105 1.00 22.52 H new ATOM 0 HG21 ILE A 37 -20.317 9.354 -17.556 1.00 72.33 H new ATOM 0 HG22 ILE A 37 -19.278 10.120 -16.330 1.00 72.33 H new ATOM 0 HG23 ILE A 37 -18.554 9.408 -17.791 1.00 72.33 H new ATOM 0 HD11 ILE A 37 -20.777 5.356 -18.009 1.00 24.20 H new ATOM 0 HD12 ILE A 37 -20.927 5.775 -16.285 1.00 24.20 H new ATOM 0 HD13 ILE A 37 -21.497 6.911 -17.531 1.00 24.20 H new ATOM 589 N PRO A 38 -18.479 7.128 -13.393 1.00 23.24 N ATOM 590 CA PRO A 38 -18.616 6.185 -12.279 1.00 22.32 C ATOM 591 C PRO A 38 -19.639 5.092 -12.567 1.00 72.32 C ATOM 592 O PRO A 38 -20.690 5.351 -13.152 1.00 32.41 O ATOM 593 CB PRO A 38 -19.089 7.068 -11.122 1.00 1.41 C ATOM 594 CG PRO A 38 -19.764 8.223 -11.779 1.00 24.04 C ATOM 595 CD PRO A 38 -19.025 8.456 -13.067 1.00 43.23 C ATOM 0 HA PRO A 38 -17.685 5.656 -12.076 1.00 22.32 H new ATOM 0 HB2 PRO A 38 -19.774 6.529 -10.467 1.00 1.41 H new ATOM 0 HB3 PRO A 38 -18.252 7.397 -10.507 1.00 1.41 H new ATOM 0 HG2 PRO A 38 -20.816 8.006 -11.966 1.00 24.04 H new ATOM 0 HG3 PRO A 38 -19.730 9.108 -11.144 1.00 24.04 H new ATOM 0 HD2 PRO A 38 -19.689 8.821 -13.851 1.00 43.23 H new ATOM 0 HD3 PRO A 38 -18.235 9.197 -12.948 1.00 43.23 H new ATOM 603 N GLY A 39 -19.325 3.868 -12.152 1.00 43.24 N ATOM 604 CA GLY A 39 -20.228 2.754 -12.375 1.00 42.33 C ATOM 605 C GLY A 39 -21.587 2.974 -11.741 1.00 22.22 C ATOM 606 O GLY A 39 -22.618 2.755 -12.375 1.00 42.01 O ATOM 0 H GLY A 39 -18.461 3.628 -11.665 1.00 43.24 H new ATOM 0 HA2 GLY A 39 -20.351 2.599 -13.447 1.00 42.33 H new ATOM 0 HA3 GLY A 39 -19.785 1.844 -11.970 1.00 42.33 H new ATOM 610 N ASN A 40 -21.588 3.406 -10.484 1.00 14.11 N ATOM 611 CA ASN A 40 -22.831 3.653 -9.762 1.00 74.12 C ATOM 612 C ASN A 40 -22.554 3.986 -8.299 1.00 52.45 C ATOM 613 O ASN A 40 -22.695 5.133 -7.877 1.00 2.54 O ATOM 614 CB ASN A 40 -23.750 2.432 -9.854 1.00 4.45 C ATOM 615 CG ASN A 40 -25.067 2.750 -10.534 1.00 33.23 C ATOM 616 OD1 ASN A 40 -25.240 2.249 -11.751 1.00 63.34 O flip ATOM 617 ND2 ASN A 40 -25.920 3.437 -9.970 1.00 50.25 N flip ATOM 0 H ASN A 40 -20.743 3.592 -9.945 1.00 14.11 H new ATOM 0 HA ASN A 40 -23.326 4.508 -10.223 1.00 74.12 H new ATOM 0 HB2 ASN A 40 -23.243 1.639 -10.404 1.00 4.45 H new ATOM 0 HB3 ASN A 40 -23.945 2.051 -8.852 1.00 4.45 H new ATOM 0 HD21 ASN A 40 -25.744 3.801 -9.034 1.00 50.25 H new ATOM 0 HD22 ASN A 40 -26.802 3.641 -10.439 1.00 50.25 H new ATOM 624 N MET A 41 -22.159 2.976 -7.532 1.00 70.55 N ATOM 625 CA MET A 41 -21.860 3.162 -6.117 1.00 71.03 C ATOM 626 C MET A 41 -20.355 3.144 -5.873 1.00 5.12 C ATOM 627 O MET A 41 -19.832 3.950 -5.102 1.00 52.23 O ATOM 628 CB MET A 41 -22.537 2.073 -5.283 1.00 60.43 C ATOM 629 CG MET A 41 -24.005 2.349 -4.999 1.00 65.41 C ATOM 630 SD MET A 41 -24.627 1.413 -3.589 1.00 62.20 S ATOM 631 CE MET A 41 -23.991 2.388 -2.228 1.00 44.11 C ATOM 0 H MET A 41 -22.038 2.020 -7.866 1.00 70.55 H new ATOM 0 HA MET A 41 -22.248 4.135 -5.814 1.00 71.03 H new ATOM 0 HB2 MET A 41 -22.449 1.120 -5.805 1.00 60.43 H new ATOM 0 HB3 MET A 41 -22.006 1.968 -4.337 1.00 60.43 H new ATOM 0 HG2 MET A 41 -24.141 3.414 -4.812 1.00 65.41 H new ATOM 0 HG3 MET A 41 -24.595 2.103 -5.882 1.00 65.41 H new ATOM 0 HE1 MET A 41 -23.657 1.725 -1.430 1.00 44.11 H new ATOM 0 HE2 MET A 41 -23.152 2.991 -2.574 1.00 44.11 H new ATOM 0 HE3 MET A 41 -24.777 3.042 -1.851 1.00 44.11 H new ATOM 641 N ILE A 42 -19.663 2.221 -6.533 1.00 34.25 N ATOM 642 CA ILE A 42 -18.218 2.100 -6.387 1.00 32.35 C ATOM 643 C ILE A 42 -17.816 2.053 -4.916 1.00 72.43 C ATOM 644 O ILE A 42 -16.980 2.836 -4.465 1.00 54.04 O ATOM 645 CB ILE A 42 -17.483 3.268 -7.071 1.00 34.52 C ATOM 646 CG1 ILE A 42 -18.074 3.527 -8.458 1.00 50.42 C ATOM 647 CG2 ILE A 42 -15.995 2.971 -7.170 1.00 45.01 C ATOM 648 CD1 ILE A 42 -18.968 4.746 -8.516 1.00 13.04 C ATOM 0 H ILE A 42 -20.080 1.546 -7.174 1.00 34.25 H new ATOM 0 HA ILE A 42 -17.929 1.167 -6.870 1.00 32.35 H new ATOM 0 HB ILE A 42 -17.615 4.166 -6.467 1.00 34.52 H new ATOM 0 HG12 ILE A 42 -17.261 3.648 -9.174 1.00 50.42 H new ATOM 0 HG13 ILE A 42 -18.645 2.652 -8.770 1.00 50.42 H new ATOM 0 HG21 ILE A 42 -15.489 3.805 -7.656 1.00 45.01 H new ATOM 0 HG22 ILE A 42 -15.585 2.830 -6.170 1.00 45.01 H new ATOM 0 HG23 ILE A 42 -15.843 2.064 -7.756 1.00 45.01 H new ATOM 0 HD11 ILE A 42 -19.351 4.868 -9.529 1.00 13.04 H new ATOM 0 HD12 ILE A 42 -19.802 4.619 -7.825 1.00 13.04 H new ATOM 0 HD13 ILE A 42 -18.396 5.630 -8.235 1.00 13.04 H new ATOM 660 N ARG A 43 -18.416 1.128 -4.174 1.00 22.41 N ATOM 661 CA ARG A 43 -18.120 0.977 -2.754 1.00 41.53 C ATOM 662 C ARG A 43 -17.456 -0.368 -2.477 1.00 33.24 C ATOM 663 O ARG A 43 -18.037 -1.424 -2.734 1.00 43.32 O ATOM 664 CB ARG A 43 -19.401 1.107 -1.928 1.00 61.31 C ATOM 665 CG ARG A 43 -19.639 2.507 -1.388 1.00 41.54 C ATOM 666 CD ARG A 43 -18.932 2.720 -0.059 1.00 64.11 C ATOM 667 NE ARG A 43 -19.832 3.249 0.962 1.00 52.35 N ATOM 668 CZ ARG A 43 -20.217 4.520 1.015 1.00 62.41 C ATOM 669 NH1 ARG A 43 -19.782 5.386 0.110 1.00 30.12 N ATOM 670 NH2 ARG A 43 -21.039 4.926 1.974 1.00 24.54 N ATOM 0 H ARG A 43 -19.110 0.472 -4.532 1.00 22.41 H new ATOM 0 HA ARG A 43 -17.429 1.769 -2.466 1.00 41.53 H new ATOM 0 HB2 ARG A 43 -20.251 0.815 -2.544 1.00 61.31 H new ATOM 0 HB3 ARG A 43 -19.357 0.408 -1.093 1.00 61.31 H new ATOM 0 HG2 ARG A 43 -19.285 3.242 -2.111 1.00 41.54 H new ATOM 0 HG3 ARG A 43 -20.709 2.673 -1.263 1.00 41.54 H new ATOM 0 HD2 ARG A 43 -18.512 1.774 0.283 1.00 64.11 H new ATOM 0 HD3 ARG A 43 -18.098 3.408 -0.198 1.00 64.11 H new ATOM 0 HE ARG A 43 -20.184 2.608 1.673 1.00 52.35 H new ATOM 0 HH11 ARG A 43 -19.150 5.077 -0.629 1.00 30.12 H new ATOM 0 HH12 ARG A 43 -20.079 6.361 0.153 1.00 30.12 H new ATOM 0 HH21 ARG A 43 -21.376 4.262 2.672 1.00 24.54 H new ATOM 0 HH22 ARG A 43 -21.334 5.902 2.014 1.00 24.54 H new ATOM 684 N LEU A 44 -16.237 -0.323 -1.950 1.00 74.43 N ATOM 685 CA LEU A 44 -15.494 -1.539 -1.638 1.00 2.03 C ATOM 686 C LEU A 44 -15.472 -1.792 -0.134 1.00 32.52 C ATOM 687 O LEU A 44 -15.625 -0.868 0.665 1.00 41.14 O ATOM 688 CB LEU A 44 -14.063 -1.436 -2.170 1.00 33.32 C ATOM 689 CG LEU A 44 -13.254 -0.231 -1.691 1.00 2.15 C ATOM 690 CD1 LEU A 44 -11.778 -0.583 -1.594 1.00 24.51 C ATOM 691 CD2 LEU A 44 -13.461 0.955 -2.622 1.00 30.15 C ATOM 0 H LEU A 44 -15.743 0.542 -1.730 1.00 74.43 H new ATOM 0 HA LEU A 44 -15.996 -2.377 -2.122 1.00 2.03 H new ATOM 0 HB2 LEU A 44 -13.527 -2.343 -1.890 1.00 33.32 H new ATOM 0 HB3 LEU A 44 -14.102 -1.412 -3.259 1.00 33.32 H new ATOM 0 HG LEU A 44 -13.606 0.047 -0.698 1.00 2.15 H new ATOM 0 HD11 LEU A 44 -11.218 0.287 -1.251 1.00 24.51 H new ATOM 0 HD12 LEU A 44 -11.645 -1.402 -0.887 1.00 24.51 H new ATOM 0 HD13 LEU A 44 -11.411 -0.887 -2.574 1.00 24.51 H new ATOM 0 HD21 LEU A 44 -12.877 1.804 -2.265 1.00 30.15 H new ATOM 0 HD22 LEU A 44 -13.137 0.689 -3.628 1.00 30.15 H new ATOM 0 HD23 LEU A 44 -14.517 1.223 -2.640 1.00 30.15 H new ATOM 703 N VAL A 45 -15.279 -3.052 0.246 1.00 13.42 N ATOM 704 CA VAL A 45 -15.234 -3.427 1.654 1.00 10.24 C ATOM 705 C VAL A 45 -13.859 -3.964 2.036 1.00 12.21 C ATOM 706 O VAL A 45 -13.380 -4.939 1.457 1.00 25.05 O ATOM 707 CB VAL A 45 -16.298 -4.489 1.987 1.00 74.33 C ATOM 708 CG1 VAL A 45 -16.322 -4.773 3.481 1.00 43.01 C ATOM 709 CG2 VAL A 45 -17.668 -4.041 1.499 1.00 31.33 C ATOM 0 H VAL A 45 -15.151 -3.829 -0.402 1.00 13.42 H new ATOM 0 HA VAL A 45 -15.441 -2.524 2.228 1.00 10.24 H new ATOM 0 HB VAL A 45 -16.037 -5.413 1.471 1.00 74.33 H new ATOM 0 HG11 VAL A 45 -17.080 -5.526 3.696 1.00 43.01 H new ATOM 0 HG12 VAL A 45 -15.346 -5.140 3.797 1.00 43.01 H new ATOM 0 HG13 VAL A 45 -16.557 -3.856 4.022 1.00 43.01 H new ATOM 0 HG21 VAL A 45 -18.408 -4.803 1.742 1.00 31.33 H new ATOM 0 HG22 VAL A 45 -17.939 -3.104 1.985 1.00 31.33 H new ATOM 0 HG23 VAL A 45 -17.640 -3.895 0.419 1.00 31.33 H new ATOM 719 N TYR A 46 -13.230 -3.321 3.014 1.00 70.52 N ATOM 720 CA TYR A 46 -11.909 -3.733 3.472 1.00 24.23 C ATOM 721 C TYR A 46 -12.001 -4.481 4.799 1.00 63.01 C ATOM 722 O TYR A 46 -12.403 -3.915 5.815 1.00 24.43 O ATOM 723 CB TYR A 46 -10.996 -2.515 3.623 1.00 64.20 C ATOM 724 CG TYR A 46 -9.588 -2.747 3.121 1.00 75.42 C ATOM 725 CD1 TYR A 46 -8.915 -3.930 3.402 1.00 54.21 C ATOM 726 CD2 TYR A 46 -8.932 -1.784 2.364 1.00 34.20 C ATOM 727 CE1 TYR A 46 -7.630 -4.146 2.946 1.00 45.43 C ATOM 728 CE2 TYR A 46 -7.647 -1.992 1.902 1.00 20.04 C ATOM 729 CZ TYR A 46 -7.000 -3.174 2.196 1.00 23.02 C ATOM 730 OH TYR A 46 -5.719 -3.386 1.739 1.00 53.23 O ATOM 0 H TYR A 46 -13.614 -2.513 3.504 1.00 70.52 H new ATOM 0 HA TYR A 46 -11.487 -4.405 2.725 1.00 24.23 H new ATOM 0 HB2 TYR A 46 -11.432 -1.675 3.082 1.00 64.20 H new ATOM 0 HB3 TYR A 46 -10.956 -2.230 4.674 1.00 64.20 H new ATOM 0 HD1 TYR A 46 -9.406 -4.694 3.987 1.00 54.21 H new ATOM 0 HD2 TYR A 46 -9.436 -0.857 2.133 1.00 34.20 H new ATOM 0 HE1 TYR A 46 -7.121 -5.070 3.175 1.00 45.43 H new ATOM 0 HE2 TYR A 46 -7.152 -1.233 1.314 1.00 20.04 H new ATOM 0 HH TYR A 46 -5.733 -4.056 1.024 1.00 53.23 H new ATOM 740 N GLN A 47 -11.625 -5.756 4.779 1.00 4.44 N ATOM 741 CA GLN A 47 -11.665 -6.582 5.980 1.00 5.22 C ATOM 742 C GLN A 47 -13.063 -6.590 6.589 1.00 2.32 C ATOM 743 O GLN A 47 -13.219 -6.638 7.809 1.00 54.25 O ATOM 744 CB GLN A 47 -10.651 -6.075 7.008 1.00 42.15 C ATOM 745 CG GLN A 47 -9.845 -7.183 7.665 1.00 64.41 C ATOM 746 CD GLN A 47 -8.361 -7.079 7.372 1.00 40.43 C ATOM 747 OE1 GLN A 47 -7.603 -6.497 8.148 1.00 25.22 O ATOM 748 NE2 GLN A 47 -7.938 -7.643 6.246 1.00 14.43 N ATOM 0 H GLN A 47 -11.290 -6.239 3.945 1.00 4.44 H new ATOM 0 HA GLN A 47 -11.406 -7.602 5.697 1.00 5.22 H new ATOM 0 HB2 GLN A 47 -9.967 -5.380 6.520 1.00 42.15 H new ATOM 0 HB3 GLN A 47 -11.178 -5.514 7.780 1.00 42.15 H new ATOM 0 HG2 GLN A 47 -10.002 -7.150 8.743 1.00 64.41 H new ATOM 0 HG3 GLN A 47 -10.213 -8.149 7.319 1.00 64.41 H new ATOM 0 HE21 GLN A 47 -8.601 -8.115 5.632 1.00 14.43 H new ATOM 0 HE22 GLN A 47 -6.950 -7.604 5.996 1.00 14.43 H new ATOM 757 N GLY A 48 -14.077 -6.542 5.731 1.00 53.20 N ATOM 758 CA GLY A 48 -15.449 -6.544 6.203 1.00 14.25 C ATOM 759 C GLY A 48 -15.914 -5.169 6.641 1.00 51.12 C ATOM 760 O GLY A 48 -17.036 -5.008 7.122 1.00 23.05 O ATOM 0 H GLY A 48 -13.973 -6.502 4.717 1.00 53.20 H new ATOM 0 HA2 GLY A 48 -16.102 -6.910 5.410 1.00 14.25 H new ATOM 0 HA3 GLY A 48 -15.542 -7.238 7.038 1.00 14.25 H new ATOM 764 N LYS A 49 -15.050 -4.174 6.475 1.00 43.51 N ATOM 765 CA LYS A 49 -15.376 -2.805 6.856 1.00 11.50 C ATOM 766 C LYS A 49 -15.709 -1.963 5.628 1.00 2.44 C ATOM 767 O LYS A 49 -15.281 -2.274 4.517 1.00 2.14 O ATOM 768 CB LYS A 49 -14.209 -2.174 7.619 1.00 12.32 C ATOM 769 CG LYS A 49 -14.560 -1.769 9.041 1.00 63.43 C ATOM 770 CD LYS A 49 -13.921 -2.700 10.059 1.00 54.35 C ATOM 771 CE LYS A 49 -14.704 -3.996 10.197 1.00 75.33 C ATOM 772 NZ LYS A 49 -15.811 -3.873 11.186 1.00 61.21 N ATOM 0 H LYS A 49 -14.117 -4.290 6.079 1.00 43.51 H new ATOM 0 HA LYS A 49 -16.252 -2.834 7.504 1.00 11.50 H new ATOM 0 HB2 LYS A 49 -13.379 -2.880 7.646 1.00 12.32 H new ATOM 0 HB3 LYS A 49 -13.863 -1.295 7.075 1.00 12.32 H new ATOM 0 HG2 LYS A 49 -14.227 -0.747 9.222 1.00 63.43 H new ATOM 0 HG3 LYS A 49 -15.643 -1.779 9.167 1.00 63.43 H new ATOM 0 HD2 LYS A 49 -12.897 -2.922 9.758 1.00 54.35 H new ATOM 0 HD3 LYS A 49 -13.867 -2.201 11.027 1.00 54.35 H new ATOM 0 HE2 LYS A 49 -15.113 -4.278 9.227 1.00 75.33 H new ATOM 0 HE3 LYS A 49 -14.030 -4.796 10.504 1.00 75.33 H new ATOM 0 HZ1 LYS A 49 -16.320 -4.777 11.251 1.00 61.21 H new ATOM 0 HZ2 LYS A 49 -15.419 -3.629 12.118 1.00 61.21 H new ATOM 0 HZ3 LYS A 49 -16.468 -3.127 10.881 1.00 61.21 H new ATOM 786 N GLN A 50 -16.473 -0.895 5.838 1.00 61.43 N ATOM 787 CA GLN A 50 -16.861 -0.009 4.747 1.00 15.12 C ATOM 788 C GLN A 50 -16.228 1.368 4.913 1.00 0.43 C ATOM 789 O GLN A 50 -15.823 1.749 6.013 1.00 64.44 O ATOM 790 CB GLN A 50 -18.384 0.121 4.685 1.00 13.24 C ATOM 791 CG GLN A 50 -19.114 -1.206 4.819 1.00 12.45 C ATOM 792 CD GLN A 50 -20.491 -1.181 4.185 1.00 63.22 C ATOM 793 OE1 GLN A 50 -21.498 -1.429 4.849 1.00 64.23 O ATOM 794 NE2 GLN A 50 -20.542 -0.881 2.892 1.00 24.02 N ATOM 0 H GLN A 50 -16.835 -0.623 6.752 1.00 61.43 H new ATOM 0 HA GLN A 50 -16.502 -0.444 3.814 1.00 15.12 H new ATOM 0 HB2 GLN A 50 -18.716 0.790 5.479 1.00 13.24 H new ATOM 0 HB3 GLN A 50 -18.662 0.585 3.739 1.00 13.24 H new ATOM 0 HG2 GLN A 50 -18.519 -1.992 4.355 1.00 12.45 H new ATOM 0 HG3 GLN A 50 -19.209 -1.459 5.875 1.00 12.45 H new ATOM 0 HE21 GLN A 50 -19.682 -0.682 2.380 1.00 24.02 H new ATOM 0 HE22 GLN A 50 -21.441 -0.849 2.411 1.00 24.02 H new ATOM 803 N LEU A 51 -16.145 2.112 3.816 1.00 53.23 N ATOM 804 CA LEU A 51 -15.560 3.448 3.839 1.00 14.53 C ATOM 805 C LEU A 51 -14.096 3.395 4.262 1.00 21.52 C ATOM 806 O LEU A 51 -13.787 3.258 5.445 1.00 2.34 O ATOM 807 CB LEU A 51 -16.345 4.353 4.791 1.00 1.21 C ATOM 808 CG LEU A 51 -17.867 4.221 4.741 1.00 34.51 C ATOM 809 CD1 LEU A 51 -18.397 3.651 6.048 1.00 2.01 C ATOM 810 CD2 LEU A 51 -18.511 5.567 4.445 1.00 43.44 C ATOM 0 H LEU A 51 -16.476 1.813 2.899 1.00 53.23 H new ATOM 0 HA LEU A 51 -15.613 3.858 2.830 1.00 14.53 H new ATOM 0 HB2 LEU A 51 -16.016 4.147 5.810 1.00 1.21 H new ATOM 0 HB3 LEU A 51 -16.083 5.389 4.574 1.00 1.21 H new ATOM 0 HG LEU A 51 -18.125 3.533 3.936 1.00 34.51 H new ATOM 0 HD11 LEU A 51 -19.482 3.564 5.994 1.00 2.01 H new ATOM 0 HD12 LEU A 51 -17.962 2.666 6.218 1.00 2.01 H new ATOM 0 HD13 LEU A 51 -18.127 4.314 6.870 1.00 2.01 H new ATOM 0 HD21 LEU A 51 -19.595 5.453 4.413 1.00 43.44 H new ATOM 0 HD22 LEU A 51 -18.244 6.278 5.227 1.00 43.44 H new ATOM 0 HD23 LEU A 51 -18.157 5.936 3.482 1.00 43.44 H new ATOM 822 N GLU A 52 -13.199 3.504 3.287 1.00 51.30 N ATOM 823 CA GLU A 52 -11.767 3.469 3.560 1.00 51.35 C ATOM 824 C GLU A 52 -11.092 4.755 3.091 1.00 54.31 C ATOM 825 O GLU A 52 -9.888 4.938 3.270 1.00 71.13 O ATOM 826 CB GLU A 52 -11.124 2.263 2.872 1.00 41.21 C ATOM 827 CG GLU A 52 -11.791 0.941 3.213 1.00 42.14 C ATOM 828 CD GLU A 52 -11.378 0.413 4.573 1.00 62.23 C ATOM 829 OE1 GLU A 52 -10.159 0.287 4.815 1.00 41.44 O ATOM 830 OE2 GLU A 52 -12.273 0.125 5.395 1.00 65.44 O ATOM 0 H GLU A 52 -13.438 3.617 2.302 1.00 51.30 H new ATOM 0 HA GLU A 52 -11.631 3.379 4.638 1.00 51.35 H new ATOM 0 HB2 GLU A 52 -11.159 2.410 1.793 1.00 41.21 H new ATOM 0 HB3 GLU A 52 -10.072 2.213 3.153 1.00 41.21 H new ATOM 0 HG2 GLU A 52 -12.873 1.068 3.190 1.00 42.14 H new ATOM 0 HG3 GLU A 52 -11.540 0.204 2.450 1.00 42.14 H new ATOM 837 N ASP A 53 -11.877 5.643 2.490 1.00 72.20 N ATOM 838 CA ASP A 53 -11.357 6.912 1.995 1.00 11.45 C ATOM 839 C ASP A 53 -10.623 7.666 3.100 1.00 10.11 C ATOM 840 O ASP A 53 -9.571 8.260 2.865 1.00 13.13 O ATOM 841 CB ASP A 53 -12.494 7.773 1.442 1.00 11.05 C ATOM 842 CG ASP A 53 -12.114 8.476 0.154 1.00 11.12 C ATOM 843 OD1 ASP A 53 -11.795 7.778 -0.830 1.00 65.23 O ATOM 844 OD2 ASP A 53 -12.135 9.725 0.131 1.00 73.22 O ATOM 0 H ASP A 53 -12.876 5.507 2.334 1.00 72.20 H new ATOM 0 HA ASP A 53 -10.650 6.699 1.193 1.00 11.45 H new ATOM 0 HB2 ASP A 53 -13.368 7.146 1.266 1.00 11.05 H new ATOM 0 HB3 ASP A 53 -12.779 8.516 2.187 1.00 11.05 H new ATOM 849 N GLU A 54 -11.186 7.638 4.304 1.00 20.41 N ATOM 850 CA GLU A 54 -10.585 8.320 5.444 1.00 40.11 C ATOM 851 C GLU A 54 -9.283 7.641 5.860 1.00 13.22 C ATOM 852 O GLU A 54 -8.433 8.249 6.512 1.00 73.52 O ATOM 853 CB GLU A 54 -11.560 8.346 6.623 1.00 25.43 C ATOM 854 CG GLU A 54 -11.823 9.740 7.165 1.00 54.52 C ATOM 855 CD GLU A 54 -12.340 9.725 8.590 1.00 20.24 C ATOM 856 OE1 GLU A 54 -13.433 9.167 8.820 1.00 73.02 O ATOM 857 OE2 GLU A 54 -11.650 10.271 9.477 1.00 61.42 O ATOM 0 H GLU A 54 -12.057 7.151 4.515 1.00 20.41 H new ATOM 0 HA GLU A 54 -10.361 9.344 5.145 1.00 40.11 H new ATOM 0 HB2 GLU A 54 -12.506 7.902 6.311 1.00 25.43 H new ATOM 0 HB3 GLU A 54 -11.164 7.722 7.425 1.00 25.43 H new ATOM 0 HG2 GLU A 54 -10.902 10.322 7.123 1.00 54.52 H new ATOM 0 HG3 GLU A 54 -12.548 10.244 6.525 1.00 54.52 H new ATOM 864 N LYS A 55 -9.134 6.377 5.480 1.00 74.14 N ATOM 865 CA LYS A 55 -7.937 5.613 5.811 1.00 14.44 C ATOM 866 C LYS A 55 -6.945 5.626 4.653 1.00 54.03 C ATOM 867 O LYS A 55 -6.298 4.619 4.367 1.00 63.11 O ATOM 868 CB LYS A 55 -8.309 4.171 6.163 1.00 23.01 C ATOM 869 CG LYS A 55 -8.782 3.997 7.596 1.00 74.14 C ATOM 870 CD LYS A 55 -10.226 4.440 7.763 1.00 11.03 C ATOM 871 CE LYS A 55 -10.342 5.609 8.729 1.00 4.31 C ATOM 872 NZ LYS A 55 -10.270 5.165 10.149 1.00 52.32 N ATOM 0 H LYS A 55 -9.828 5.859 4.942 1.00 74.14 H new ATOM 0 HA LYS A 55 -7.465 6.081 6.675 1.00 14.44 H new ATOM 0 HB2 LYS A 55 -9.094 3.832 5.487 1.00 23.01 H new ATOM 0 HB3 LYS A 55 -7.444 3.530 5.995 1.00 23.01 H new ATOM 0 HG2 LYS A 55 -8.685 2.951 7.888 1.00 74.14 H new ATOM 0 HG3 LYS A 55 -8.143 4.575 8.264 1.00 74.14 H new ATOM 0 HD2 LYS A 55 -10.634 4.726 6.794 1.00 11.03 H new ATOM 0 HD3 LYS A 55 -10.824 3.605 8.127 1.00 11.03 H new ATOM 0 HE2 LYS A 55 -9.543 6.324 8.531 1.00 4.31 H new ATOM 0 HE3 LYS A 55 -11.285 6.129 8.558 1.00 4.31 H new ATOM 0 HZ1 LYS A 55 -10.353 5.991 10.776 1.00 52.32 H new ATOM 0 HZ2 LYS A 55 -11.047 4.502 10.345 1.00 52.32 H new ATOM 0 HZ3 LYS A 55 -9.360 4.691 10.319 1.00 52.32 H new ATOM 886 N ARG A 56 -6.831 6.772 3.990 1.00 2.53 N ATOM 887 CA ARG A 56 -5.917 6.916 2.863 1.00 34.51 C ATOM 888 C ARG A 56 -4.531 6.384 3.216 1.00 73.34 C ATOM 889 O ARG A 56 -4.172 5.264 2.848 1.00 42.54 O ATOM 890 CB ARG A 56 -5.820 8.383 2.441 1.00 72.30 C ATOM 891 CG ARG A 56 -5.986 9.360 3.593 1.00 5.21 C ATOM 892 CD ARG A 56 -7.373 9.983 3.600 1.00 2.05 C ATOM 893 NE ARG A 56 -7.337 11.395 3.972 1.00 21.11 N ATOM 894 CZ ARG A 56 -7.167 11.823 5.218 1.00 24.10 C ATOM 895 NH1 ARG A 56 -7.017 10.952 6.207 1.00 40.42 N ATOM 896 NH2 ARG A 56 -7.145 13.124 5.477 1.00 52.12 N ATOM 0 H ARG A 56 -7.360 7.615 4.214 1.00 2.53 H new ATOM 0 HA ARG A 56 -6.311 6.332 2.031 1.00 34.51 H new ATOM 0 HB2 ARG A 56 -4.853 8.553 1.968 1.00 72.30 H new ATOM 0 HB3 ARG A 56 -6.583 8.587 1.690 1.00 72.30 H new ATOM 0 HG2 ARG A 56 -5.813 8.844 4.537 1.00 5.21 H new ATOM 0 HG3 ARG A 56 -5.234 10.145 3.517 1.00 5.21 H new ATOM 0 HD2 ARG A 56 -7.822 9.880 2.612 1.00 2.05 H new ATOM 0 HD3 ARG A 56 -8.011 9.440 4.298 1.00 2.05 H new ATOM 0 HE ARG A 56 -7.449 12.091 3.234 1.00 21.11 H new ATOM 0 HH11 ARG A 56 -7.032 9.951 6.012 1.00 40.42 H new ATOM 0 HH12 ARG A 56 -6.887 11.283 7.163 1.00 40.42 H new ATOM 0 HH21 ARG A 56 -7.259 13.797 4.719 1.00 52.12 H new ATOM 0 HH22 ARG A 56 -7.014 13.451 6.434 1.00 52.12 H new ATOM 910 N LEU A 57 -3.757 7.193 3.930 1.00 70.10 N ATOM 911 CA LEU A 57 -2.410 6.804 4.332 1.00 4.53 C ATOM 912 C LEU A 57 -2.445 5.586 5.249 1.00 71.10 C ATOM 913 O LEU A 57 -1.559 4.733 5.200 1.00 21.53 O ATOM 914 CB LEU A 57 -1.712 7.968 5.039 1.00 43.13 C ATOM 915 CG LEU A 57 -0.183 7.935 5.037 1.00 70.24 C ATOM 916 CD1 LEU A 57 0.381 9.319 5.318 1.00 64.41 C ATOM 917 CD2 LEU A 57 0.330 6.930 6.058 1.00 71.12 C ATOM 0 H LEU A 57 -4.039 8.122 4.243 1.00 70.10 H new ATOM 0 HA LEU A 57 -1.851 6.543 3.434 1.00 4.53 H new ATOM 0 HB2 LEU A 57 -2.036 8.898 4.571 1.00 43.13 H new ATOM 0 HB3 LEU A 57 -2.054 7.996 6.074 1.00 43.13 H new ATOM 0 HG LEU A 57 0.153 7.622 4.049 1.00 70.24 H new ATOM 0 HD11 LEU A 57 1.470 9.276 5.313 1.00 64.41 H new ATOM 0 HD12 LEU A 57 0.041 10.013 4.549 1.00 64.41 H new ATOM 0 HD13 LEU A 57 0.036 9.661 6.294 1.00 64.41 H new ATOM 0 HD21 LEU A 57 1.420 6.920 6.043 1.00 71.12 H new ATOM 0 HD22 LEU A 57 -0.016 7.212 7.052 1.00 71.12 H new ATOM 0 HD23 LEU A 57 -0.046 5.937 5.811 1.00 71.12 H new ATOM 929 N LYS A 58 -3.476 5.509 6.083 1.00 13.44 N ATOM 930 CA LYS A 58 -3.631 4.394 7.009 1.00 22.14 C ATOM 931 C LYS A 58 -3.681 3.067 6.259 1.00 34.20 C ATOM 932 O LYS A 58 -3.333 2.020 6.806 1.00 51.13 O ATOM 933 CB LYS A 58 -4.902 4.569 7.844 1.00 62.04 C ATOM 934 CG LYS A 58 -4.638 4.708 9.333 1.00 64.11 C ATOM 935 CD LYS A 58 -5.187 3.523 10.110 1.00 55.44 C ATOM 936 CE LYS A 58 -4.392 3.273 11.382 1.00 41.24 C ATOM 937 NZ LYS A 58 -4.899 2.090 12.130 1.00 75.34 N ATOM 0 H LYS A 58 -4.218 6.207 6.137 1.00 13.44 H new ATOM 0 HA LYS A 58 -2.767 4.384 7.673 1.00 22.14 H new ATOM 0 HB2 LYS A 58 -5.437 5.452 7.495 1.00 62.04 H new ATOM 0 HB3 LYS A 58 -5.556 3.713 7.678 1.00 62.04 H new ATOM 0 HG2 LYS A 58 -3.565 4.793 9.507 1.00 64.11 H new ATOM 0 HG3 LYS A 58 -5.094 5.628 9.700 1.00 64.11 H new ATOM 0 HD2 LYS A 58 -6.232 3.705 10.363 1.00 55.44 H new ATOM 0 HD3 LYS A 58 -5.161 2.632 9.483 1.00 55.44 H new ATOM 0 HE2 LYS A 58 -3.342 3.121 11.130 1.00 41.24 H new ATOM 0 HE3 LYS A 58 -4.442 4.155 12.021 1.00 41.24 H new ATOM 0 HZ1 LYS A 58 -4.331 1.954 12.990 1.00 75.34 H new ATOM 0 HZ2 LYS A 58 -5.893 2.245 12.393 1.00 75.34 H new ATOM 0 HZ3 LYS A 58 -4.828 1.243 11.530 1.00 75.34 H new ATOM 951 N ASP A 59 -4.115 3.118 5.005 1.00 54.04 N ATOM 952 CA ASP A 59 -4.209 1.920 4.178 1.00 2.03 C ATOM 953 C ASP A 59 -2.856 1.579 3.561 1.00 52.13 C ATOM 954 O ASP A 59 -2.650 0.471 3.065 1.00 34.11 O ATOM 955 CB ASP A 59 -5.252 2.114 3.077 1.00 41.42 C ATOM 956 CG ASP A 59 -6.614 1.576 3.468 1.00 12.50 C ATOM 957 OD1 ASP A 59 -6.950 1.629 4.670 1.00 64.14 O ATOM 958 OD2 ASP A 59 -7.345 1.102 2.573 1.00 42.23 O ATOM 0 H ASP A 59 -4.408 3.976 4.538 1.00 54.04 H new ATOM 0 HA ASP A 59 -4.517 1.091 4.816 1.00 2.03 H new ATOM 0 HB2 ASP A 59 -5.337 3.175 2.844 1.00 41.42 H new ATOM 0 HB3 ASP A 59 -4.914 1.615 2.169 1.00 41.42 H new ATOM 963 N TYR A 60 -1.938 2.539 3.593 1.00 32.52 N ATOM 964 CA TYR A 60 -0.606 2.341 3.034 1.00 54.35 C ATOM 965 C TYR A 60 0.243 1.461 3.945 1.00 33.32 C ATOM 966 O TYR A 60 1.234 0.874 3.511 1.00 35.22 O ATOM 967 CB TYR A 60 0.085 3.689 2.820 1.00 54.12 C ATOM 968 CG TYR A 60 1.452 3.575 2.185 1.00 70.53 C ATOM 969 CD1 TYR A 60 1.622 2.927 0.968 1.00 65.45 C ATOM 970 CD2 TYR A 60 2.573 4.115 2.802 1.00 45.44 C ATOM 971 CE1 TYR A 60 2.870 2.819 0.384 1.00 10.12 C ATOM 972 CE2 TYR A 60 3.825 4.014 2.225 1.00 73.22 C ATOM 973 CZ TYR A 60 3.968 3.364 1.016 1.00 11.44 C ATOM 974 OH TYR A 60 5.212 3.261 0.438 1.00 61.41 O ATOM 0 H TYR A 60 -2.092 3.462 4.000 1.00 32.52 H new ATOM 0 HA TYR A 60 -0.714 1.838 2.073 1.00 54.35 H new ATOM 0 HB2 TYR A 60 -0.547 4.316 2.191 1.00 54.12 H new ATOM 0 HB3 TYR A 60 0.181 4.195 3.781 1.00 54.12 H new ATOM 0 HD1 TYR A 60 0.764 2.500 0.470 1.00 65.45 H new ATOM 0 HD2 TYR A 60 2.465 4.623 3.749 1.00 45.44 H new ATOM 0 HE1 TYR A 60 2.985 2.311 -0.562 1.00 10.12 H new ATOM 0 HE2 TYR A 60 4.686 4.441 2.717 1.00 73.22 H new ATOM 0 HH TYR A 60 5.876 3.698 1.011 1.00 61.41 H new ATOM 984 N GLN A 61 -0.154 1.374 5.211 1.00 74.04 N ATOM 985 CA GLN A 61 0.570 0.565 6.184 1.00 14.33 C ATOM 986 C GLN A 61 0.238 -0.914 6.017 1.00 10.14 C ATOM 987 O GLN A 61 0.819 -1.769 6.685 1.00 32.11 O ATOM 988 CB GLN A 61 0.233 1.018 7.606 1.00 1.40 C ATOM 989 CG GLN A 61 1.453 1.172 8.500 1.00 33.13 C ATOM 990 CD GLN A 61 1.089 1.304 9.966 1.00 52.00 C ATOM 991 OE1 GLN A 61 0.181 0.632 10.455 1.00 34.41 O ATOM 992 NE2 GLN A 61 1.798 2.174 10.676 1.00 34.22 N ATOM 0 H GLN A 61 -0.972 1.854 5.586 1.00 74.04 H new ATOM 0 HA GLN A 61 1.637 0.701 6.010 1.00 14.33 H new ATOM 0 HB2 GLN A 61 -0.296 1.970 7.560 1.00 1.40 H new ATOM 0 HB3 GLN A 61 -0.449 0.296 8.056 1.00 1.40 H new ATOM 0 HG2 GLN A 61 2.107 0.310 8.368 1.00 33.13 H new ATOM 0 HG3 GLN A 61 2.018 2.051 8.189 1.00 33.13 H new ATOM 0 HE21 GLN A 61 2.542 2.710 10.230 1.00 34.22 H new ATOM 0 HE22 GLN A 61 1.598 2.306 11.668 1.00 34.22 H new ATOM 1001 N MET A 62 -0.700 -1.208 5.123 1.00 44.24 N ATOM 1002 CA MET A 62 -1.108 -2.585 4.868 1.00 43.41 C ATOM 1003 C MET A 62 -0.184 -3.246 3.849 1.00 15.43 C ATOM 1004 O MET A 62 0.574 -4.156 4.184 1.00 54.14 O ATOM 1005 CB MET A 62 -2.553 -2.626 4.367 1.00 65.43 C ATOM 1006 CG MET A 62 -3.486 -1.698 5.126 1.00 33.23 C ATOM 1007 SD MET A 62 -3.545 -2.064 6.891 1.00 73.11 S ATOM 1008 CE MET A 62 -5.192 -2.754 7.039 1.00 64.03 C ATOM 0 H MET A 62 -1.192 -0.512 4.563 1.00 44.24 H new ATOM 0 HA MET A 62 -1.040 -3.138 5.805 1.00 43.41 H new ATOM 0 HB2 MET A 62 -2.570 -2.360 3.310 1.00 65.43 H new ATOM 0 HB3 MET A 62 -2.927 -3.647 4.445 1.00 65.43 H new ATOM 0 HG2 MET A 62 -3.162 -0.667 4.983 1.00 33.23 H new ATOM 0 HG3 MET A 62 -4.490 -1.777 4.709 1.00 33.23 H new ATOM 0 HE1 MET A 62 -5.379 -3.030 8.077 1.00 64.03 H new ATOM 0 HE2 MET A 62 -5.927 -2.013 6.723 1.00 64.03 H new ATOM 0 HE3 MET A 62 -5.274 -3.639 6.408 1.00 64.03 H new ATOM 1018 N SER A 63 -0.254 -2.782 2.606 1.00 51.34 N ATOM 1019 CA SER A 63 0.573 -3.331 1.537 1.00 33.24 C ATOM 1020 C SER A 63 0.348 -4.833 1.395 1.00 64.51 C ATOM 1021 O SER A 63 1.219 -5.560 0.917 1.00 4.40 O ATOM 1022 CB SER A 63 2.051 -3.049 1.811 1.00 1.54 C ATOM 1023 OG SER A 63 2.239 -1.723 2.276 1.00 23.23 O ATOM 0 H SER A 63 -0.875 -2.027 2.314 1.00 51.34 H new ATOM 0 HA SER A 63 0.286 -2.848 0.603 1.00 33.24 H new ATOM 0 HB2 SER A 63 2.428 -3.754 2.552 1.00 1.54 H new ATOM 0 HB3 SER A 63 2.629 -3.204 0.900 1.00 1.54 H new ATOM 0 HG SER A 63 3.192 -1.568 2.446 1.00 23.23 H new ATOM 1029 N ALA A 64 -0.827 -5.292 1.814 1.00 64.25 N ATOM 1030 CA ALA A 64 -1.168 -6.707 1.731 1.00 4.03 C ATOM 1031 C ALA A 64 -2.591 -6.958 2.218 1.00 41.23 C ATOM 1032 O ALA A 64 -2.838 -7.879 2.995 1.00 55.03 O ATOM 1033 CB ALA A 64 -0.179 -7.536 2.537 1.00 5.02 C ATOM 0 H ALA A 64 -1.559 -4.705 2.214 1.00 64.25 H new ATOM 0 HA ALA A 64 -1.111 -7.008 0.685 1.00 4.03 H new ATOM 0 HB1 ALA A 64 -0.446 -8.591 2.466 1.00 5.02 H new ATOM 0 HB2 ALA A 64 0.826 -7.388 2.142 1.00 5.02 H new ATOM 0 HB3 ALA A 64 -0.208 -7.224 3.581 1.00 5.02 H new ATOM 1039 N GLY A 65 -3.524 -6.131 1.755 1.00 0.15 N ATOM 1040 CA GLY A 65 -4.911 -6.280 2.155 1.00 10.34 C ATOM 1041 C GLY A 65 -5.842 -6.445 0.970 1.00 4.03 C ATOM 1042 O GLY A 65 -5.929 -5.565 0.114 1.00 32.40 O ATOM 0 H GLY A 65 -3.344 -5.361 1.111 1.00 0.15 H new ATOM 0 HA2 GLY A 65 -5.006 -7.146 2.811 1.00 10.34 H new ATOM 0 HA3 GLY A 65 -5.215 -5.407 2.733 1.00 10.34 H new ATOM 1046 N ALA A 66 -6.537 -7.576 0.919 1.00 32.24 N ATOM 1047 CA ALA A 66 -7.466 -7.854 -0.169 1.00 42.34 C ATOM 1048 C ALA A 66 -8.596 -6.830 -0.201 1.00 62.33 C ATOM 1049 O ALA A 66 -9.167 -6.487 0.834 1.00 2.05 O ATOM 1050 CB ALA A 66 -8.029 -9.261 -0.037 1.00 11.11 C ATOM 0 H ALA A 66 -6.474 -8.315 1.619 1.00 32.24 H new ATOM 0 HA ALA A 66 -6.918 -7.781 -1.109 1.00 42.34 H new ATOM 0 HB1 ALA A 66 -8.721 -9.454 -0.857 1.00 11.11 H new ATOM 0 HB2 ALA A 66 -7.214 -9.984 -0.072 1.00 11.11 H new ATOM 0 HB3 ALA A 66 -8.556 -9.354 0.913 1.00 11.11 H new ATOM 1056 N THR A 67 -8.915 -6.345 -1.397 1.00 43.52 N ATOM 1057 CA THR A 67 -9.975 -5.359 -1.564 1.00 11.12 C ATOM 1058 C THR A 67 -11.033 -5.850 -2.546 1.00 4.40 C ATOM 1059 O THR A 67 -10.711 -6.460 -3.566 1.00 14.11 O ATOM 1060 CB THR A 67 -9.417 -4.011 -2.059 1.00 21.31 C ATOM 1061 OG1 THR A 67 -8.012 -4.126 -2.312 1.00 72.31 O ATOM 1062 CG2 THR A 67 -9.665 -2.914 -1.035 1.00 4.10 C ATOM 0 H THR A 67 -8.454 -6.619 -2.264 1.00 43.52 H new ATOM 0 HA THR A 67 -10.431 -5.217 -0.584 1.00 11.12 H new ATOM 0 HB THR A 67 -9.932 -3.747 -2.983 1.00 21.31 H new ATOM 0 HG1 THR A 67 -7.846 -4.898 -2.892 1.00 72.31 H new ATOM 0 HG21 THR A 67 -9.262 -1.972 -1.407 1.00 4.10 H new ATOM 0 HG22 THR A 67 -10.737 -2.809 -0.866 1.00 4.10 H new ATOM 0 HG23 THR A 67 -9.174 -3.174 -0.097 1.00 4.10 H new ATOM 1070 N PHE A 68 -12.295 -5.579 -2.233 1.00 14.21 N ATOM 1071 CA PHE A 68 -13.401 -5.993 -3.089 1.00 20.54 C ATOM 1072 C PHE A 68 -14.340 -4.824 -3.369 1.00 42.22 C ATOM 1073 O PHE A 68 -15.008 -4.318 -2.466 1.00 64.52 O ATOM 1074 CB PHE A 68 -14.177 -7.140 -2.436 1.00 43.50 C ATOM 1075 CG PHE A 68 -14.853 -8.045 -3.425 1.00 73.01 C ATOM 1076 CD1 PHE A 68 -15.713 -7.529 -4.381 1.00 74.31 C ATOM 1077 CD2 PHE A 68 -14.630 -9.412 -3.398 1.00 64.25 C ATOM 1078 CE1 PHE A 68 -16.337 -8.360 -5.293 1.00 53.30 C ATOM 1079 CE2 PHE A 68 -15.250 -10.247 -4.308 1.00 33.40 C ATOM 1080 CZ PHE A 68 -16.106 -9.721 -5.256 1.00 11.24 C ATOM 0 H PHE A 68 -12.578 -5.074 -1.393 1.00 14.21 H new ATOM 0 HA PHE A 68 -12.985 -6.337 -4.036 1.00 20.54 H new ATOM 0 HB2 PHE A 68 -13.493 -7.729 -1.825 1.00 43.50 H new ATOM 0 HB3 PHE A 68 -14.928 -6.724 -1.764 1.00 43.50 H new ATOM 0 HD1 PHE A 68 -15.898 -6.465 -4.414 1.00 74.31 H new ATOM 0 HD2 PHE A 68 -13.964 -9.830 -2.657 1.00 64.25 H new ATOM 0 HE1 PHE A 68 -17.005 -7.945 -6.034 1.00 53.30 H new ATOM 0 HE2 PHE A 68 -15.065 -11.311 -4.278 1.00 33.40 H new ATOM 0 HZ PHE A 68 -16.593 -10.372 -5.966 1.00 11.24 H new ATOM 1090 N HIS A 69 -14.385 -4.398 -4.628 1.00 0.34 N ATOM 1091 CA HIS A 69 -15.242 -3.287 -5.028 1.00 63.34 C ATOM 1092 C HIS A 69 -16.618 -3.789 -5.454 1.00 72.30 C ATOM 1093 O HIS A 69 -16.743 -4.864 -6.040 1.00 73.20 O ATOM 1094 CB HIS A 69 -14.596 -2.504 -6.172 1.00 23.14 C ATOM 1095 CG HIS A 69 -13.418 -1.683 -5.745 1.00 12.23 C ATOM 1096 ND1 HIS A 69 -12.425 -2.164 -4.918 1.00 70.00 N ATOM 1097 CD2 HIS A 69 -13.077 -0.406 -6.036 1.00 51.21 C ATOM 1098 CE1 HIS A 69 -11.525 -1.218 -4.718 1.00 61.01 C ATOM 1099 NE2 HIS A 69 -11.897 -0.141 -5.386 1.00 41.00 N ATOM 0 H HIS A 69 -13.839 -4.805 -5.387 1.00 0.34 H new ATOM 0 HA HIS A 69 -15.365 -2.627 -4.169 1.00 63.34 H new ATOM 0 HB2 HIS A 69 -14.280 -3.203 -6.947 1.00 23.14 H new ATOM 0 HB3 HIS A 69 -15.343 -1.848 -6.620 1.00 23.14 H new ATOM 0 HD2 HIS A 69 -13.630 0.278 -6.663 1.00 51.21 H new ATOM 0 HE1 HIS A 69 -10.636 -1.310 -4.111 1.00 61.01 H new ATOM 0 HE2 HIS A 69 -11.390 0.744 -5.414 1.00 41.00 H new ATOM 1107 N MET A 70 -17.648 -3.004 -5.154 1.00 63.23 N ATOM 1108 CA MET A 70 -19.015 -3.370 -5.507 1.00 1.44 C ATOM 1109 C MET A 70 -19.704 -2.235 -6.258 1.00 73.20 C ATOM 1110 O MET A 70 -19.678 -1.083 -5.824 1.00 63.51 O ATOM 1111 CB MET A 70 -19.811 -3.722 -4.249 1.00 35.01 C ATOM 1112 CG MET A 70 -21.302 -3.887 -4.500 1.00 24.32 C ATOM 1113 SD MET A 70 -22.030 -5.209 -3.513 1.00 24.21 S ATOM 1114 CE MET A 70 -22.297 -4.362 -1.957 1.00 61.44 C ATOM 0 H MET A 70 -17.562 -2.111 -4.668 1.00 63.23 H new ATOM 0 HA MET A 70 -18.975 -4.242 -6.159 1.00 1.44 H new ATOM 0 HB2 MET A 70 -19.417 -4.647 -3.827 1.00 35.01 H new ATOM 0 HB3 MET A 70 -19.660 -2.941 -3.503 1.00 35.01 H new ATOM 0 HG2 MET A 70 -21.810 -2.949 -4.276 1.00 24.32 H new ATOM 0 HG3 MET A 70 -21.468 -4.095 -5.557 1.00 24.32 H new ATOM 0 HE1 MET A 70 -22.744 -5.051 -1.240 1.00 61.44 H new ATOM 0 HE2 MET A 70 -21.343 -4.003 -1.570 1.00 61.44 H new ATOM 0 HE3 MET A 70 -22.966 -3.516 -2.113 1.00 61.44 H new ATOM 1124 N VAL A 71 -20.321 -2.568 -7.387 1.00 71.44 N ATOM 1125 CA VAL A 71 -21.018 -1.578 -8.199 1.00 13.43 C ATOM 1126 C VAL A 71 -22.470 -1.980 -8.430 1.00 73.33 C ATOM 1127 O VAL A 71 -22.753 -2.942 -9.146 1.00 1.52 O ATOM 1128 CB VAL A 71 -20.328 -1.382 -9.561 1.00 42.35 C ATOM 1129 CG1 VAL A 71 -20.111 -2.722 -10.248 1.00 51.41 C ATOM 1130 CG2 VAL A 71 -21.144 -0.448 -10.442 1.00 43.33 C ATOM 0 H VAL A 71 -20.352 -3.517 -7.760 1.00 71.44 H new ATOM 0 HA VAL A 71 -20.988 -0.639 -7.647 1.00 13.43 H new ATOM 0 HB VAL A 71 -19.353 -0.925 -9.392 1.00 42.35 H new ATOM 0 HG11 VAL A 71 -19.622 -2.563 -11.209 1.00 51.41 H new ATOM 0 HG12 VAL A 71 -19.482 -3.355 -9.621 1.00 51.41 H new ATOM 0 HG13 VAL A 71 -21.073 -3.210 -10.406 1.00 51.41 H new ATOM 0 HG21 VAL A 71 -20.641 -0.321 -11.401 1.00 43.33 H new ATOM 0 HG22 VAL A 71 -22.134 -0.874 -10.605 1.00 43.33 H new ATOM 0 HG23 VAL A 71 -21.242 0.521 -9.952 1.00 43.33 H new ATOM 1140 N VAL A 72 -23.389 -1.238 -7.820 1.00 71.14 N ATOM 1141 CA VAL A 72 -24.813 -1.516 -7.961 1.00 74.31 C ATOM 1142 C VAL A 72 -25.418 -0.721 -9.113 1.00 5.12 C ATOM 1143 O VAL A 72 -25.645 0.483 -8.997 1.00 35.11 O ATOM 1144 CB VAL A 72 -25.580 -1.187 -6.666 1.00 71.24 C ATOM 1145 CG1 VAL A 72 -26.855 -2.013 -6.576 1.00 4.51 C ATOM 1146 CG2 VAL A 72 -24.696 -1.421 -5.450 1.00 54.44 C ATOM 0 H VAL A 72 -23.172 -0.440 -7.223 1.00 71.14 H new ATOM 0 HA VAL A 72 -24.908 -2.582 -8.170 1.00 74.31 H new ATOM 0 HB VAL A 72 -25.859 -0.134 -6.687 1.00 71.24 H new ATOM 0 HG11 VAL A 72 -27.384 -1.767 -5.655 1.00 4.51 H new ATOM 0 HG12 VAL A 72 -27.493 -1.791 -7.431 1.00 4.51 H new ATOM 0 HG13 VAL A 72 -26.602 -3.073 -6.577 1.00 4.51 H new ATOM 0 HG21 VAL A 72 -25.253 -1.184 -4.544 1.00 54.44 H new ATOM 0 HG22 VAL A 72 -24.385 -2.465 -5.422 1.00 54.44 H new ATOM 0 HG23 VAL A 72 -23.815 -0.782 -5.512 1.00 54.44 H new ATOM 1156 N ALA A 73 -25.675 -1.402 -10.224 1.00 72.43 N ATOM 1157 CA ALA A 73 -26.256 -0.760 -11.397 1.00 24.01 C ATOM 1158 C ALA A 73 -27.515 -1.488 -11.855 1.00 63.20 C ATOM 1159 O ALA A 73 -27.498 -2.211 -12.853 1.00 13.35 O ATOM 1160 CB ALA A 73 -25.237 -0.702 -12.526 1.00 21.34 C ATOM 0 H ALA A 73 -25.490 -2.399 -10.337 1.00 72.43 H new ATOM 0 HA ALA A 73 -26.536 0.257 -11.122 1.00 24.01 H new ATOM 0 HB1 ALA A 73 -25.684 -0.220 -13.395 1.00 21.34 H new ATOM 0 HB2 ALA A 73 -24.367 -0.131 -12.202 1.00 21.34 H new ATOM 0 HB3 ALA A 73 -24.929 -1.714 -12.790 1.00 21.34 H new ATOM 1166 N LEU A 74 -28.605 -1.295 -11.121 1.00 4.44 N ATOM 1167 CA LEU A 74 -29.874 -1.934 -11.451 1.00 45.23 C ATOM 1168 C LEU A 74 -29.764 -3.451 -11.342 1.00 64.21 C ATOM 1169 O LEU A 74 -29.511 -4.138 -12.332 1.00 24.00 O ATOM 1170 CB LEU A 74 -30.311 -1.543 -12.864 1.00 70.21 C ATOM 1171 CG LEU A 74 -31.442 -0.518 -12.957 1.00 43.03 C ATOM 1172 CD1 LEU A 74 -32.754 -1.127 -12.489 1.00 73.05 C ATOM 1173 CD2 LEU A 74 -31.106 0.722 -12.141 1.00 70.22 C ATOM 0 H LEU A 74 -28.636 -0.701 -10.293 1.00 4.44 H new ATOM 0 HA LEU A 74 -30.623 -1.591 -10.737 1.00 45.23 H new ATOM 0 HB2 LEU A 74 -29.445 -1.148 -13.394 1.00 70.21 H new ATOM 0 HB3 LEU A 74 -30.622 -2.446 -13.390 1.00 70.21 H new ATOM 0 HG LEU A 74 -31.554 -0.223 -14.000 1.00 43.03 H new ATOM 0 HD11 LEU A 74 -33.547 -0.383 -12.562 1.00 73.05 H new ATOM 0 HD12 LEU A 74 -33.001 -1.984 -13.116 1.00 73.05 H new ATOM 0 HD13 LEU A 74 -32.655 -1.451 -11.453 1.00 73.05 H new ATOM 0 HD21 LEU A 74 -31.922 1.441 -12.219 1.00 70.22 H new ATOM 0 HD22 LEU A 74 -30.966 0.443 -11.097 1.00 70.22 H new ATOM 0 HD23 LEU A 74 -30.189 1.171 -12.523 1.00 70.22 H new ATOM 1185 N ARG A 75 -29.957 -3.968 -10.133 1.00 54.20 N ATOM 1186 CA ARG A 75 -29.881 -5.404 -9.895 1.00 31.13 C ATOM 1187 C ARG A 75 -30.720 -5.799 -8.683 1.00 23.42 C ATOM 1188 O ARG A 75 -31.416 -4.969 -8.100 1.00 32.00 O ATOM 1189 CB ARG A 75 -28.427 -5.831 -9.683 1.00 53.04 C ATOM 1190 CG ARG A 75 -27.656 -6.029 -10.978 1.00 75.43 C ATOM 1191 CD ARG A 75 -26.650 -4.912 -11.204 1.00 60.13 C ATOM 1192 NE ARG A 75 -26.266 -4.797 -12.609 1.00 31.04 N ATOM 1193 CZ ARG A 75 -25.149 -4.207 -13.019 1.00 62.42 C ATOM 1194 NH1 ARG A 75 -24.310 -3.683 -12.137 1.00 44.41 N ATOM 1195 NH2 ARG A 75 -24.869 -4.142 -14.315 1.00 21.34 N ATOM 0 H ARG A 75 -30.167 -3.414 -9.303 1.00 54.20 H new ATOM 0 HA ARG A 75 -30.278 -5.914 -10.773 1.00 31.13 H new ATOM 0 HB2 ARG A 75 -27.920 -5.078 -9.080 1.00 53.04 H new ATOM 0 HB3 ARG A 75 -28.409 -6.760 -9.114 1.00 53.04 H new ATOM 0 HG2 ARG A 75 -27.137 -6.987 -10.951 1.00 75.43 H new ATOM 0 HG3 ARG A 75 -28.353 -6.067 -11.815 1.00 75.43 H new ATOM 0 HD2 ARG A 75 -27.075 -3.967 -10.866 1.00 60.13 H new ATOM 0 HD3 ARG A 75 -25.762 -5.096 -10.599 1.00 60.13 H new ATOM 0 HE ARG A 75 -26.890 -5.191 -13.313 1.00 31.04 H new ATOM 0 HH11 ARG A 75 -24.521 -3.732 -11.140 1.00 44.41 H new ATOM 0 HH12 ARG A 75 -23.453 -3.231 -12.455 1.00 44.41 H new ATOM 0 HH21 ARG A 75 -25.512 -4.545 -14.997 1.00 21.34 H new ATOM 0 HH22 ARG A 75 -24.011 -3.689 -14.629 1.00 21.34 H new ATOM 1209 N ALA A 76 -30.648 -7.073 -8.310 1.00 23.02 N ATOM 1210 CA ALA A 76 -31.399 -7.578 -7.167 1.00 65.01 C ATOM 1211 C ALA A 76 -30.625 -8.674 -6.443 1.00 25.14 C ATOM 1212 O ALA A 76 -29.650 -9.211 -6.968 1.00 54.14 O ATOM 1213 CB ALA A 76 -32.757 -8.097 -7.616 1.00 2.44 C ATOM 0 H ALA A 76 -30.077 -7.774 -8.783 1.00 23.02 H new ATOM 0 HA ALA A 76 -31.549 -6.754 -6.469 1.00 65.01 H new ATOM 0 HB1 ALA A 76 -33.307 -8.471 -6.753 1.00 2.44 H new ATOM 0 HB2 ALA A 76 -33.320 -7.288 -8.082 1.00 2.44 H new ATOM 0 HB3 ALA A 76 -32.618 -8.904 -8.335 1.00 2.44 H new ATOM 1219 N GLY A 77 -31.065 -9.001 -5.231 1.00 64.43 N ATOM 1220 CA GLY A 77 -30.401 -10.031 -4.454 1.00 64.51 C ATOM 1221 C GLY A 77 -31.373 -11.043 -3.881 1.00 13.22 C ATOM 1222 O GLY A 77 -31.299 -11.385 -2.700 1.00 14.11 O ATOM 0 H GLY A 77 -31.869 -8.571 -4.774 1.00 64.43 H new ATOM 0 HA2 GLY A 77 -29.675 -10.545 -5.084 1.00 64.51 H new ATOM 0 HA3 GLY A 77 -29.844 -9.566 -3.641 1.00 64.51 H new ATOM 1226 N CYS A 78 -32.288 -11.521 -4.717 1.00 11.02 N ATOM 1227 CA CYS A 78 -33.282 -12.498 -4.286 1.00 0.45 C ATOM 1228 C CYS A 78 -32.616 -13.808 -3.880 1.00 21.41 C ATOM 1229 O CYS A 78 -33.282 -14.742 -3.434 1.00 64.33 O ATOM 1230 CB CYS A 78 -34.296 -12.751 -5.402 1.00 13.02 C ATOM 1231 SG CYS A 78 -35.675 -11.581 -5.426 1.00 30.43 S ATOM 0 H CYS A 78 -32.362 -11.248 -5.697 1.00 11.02 H new ATOM 0 HA CYS A 78 -33.802 -12.092 -3.418 1.00 0.45 H new ATOM 0 HB2 CYS A 78 -33.781 -12.709 -6.362 1.00 13.02 H new ATOM 0 HB3 CYS A 78 -34.692 -13.761 -5.296 1.00 13.02 H new ATOM 0 HG CYS A 78 -36.477 -11.876 -6.406 1.00 30.43 H new TER 1237 CYS A 78