USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 507 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 43 THR OG1 : rot 170:sc= -1.03 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.459 X(o=-1.5,f=-1.6) USER MOD Set 2.1: A 35 CYS SG : rot -74:sc= -21.1! USER MOD Set 2.2: A 59 CYS SG : rot -21:sc= -23.1! USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.57 K(o=-2.6,f=-1.2) USER MOD Single : A 26 THR OG1 : rot -78:sc= 1.07 USER MOD Single : A 27 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 30 SER OG : rot 151:sc= 0.969 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.46) USER MOD Single : A 37 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.027) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-1.26) USER MOD Single : A 51 HIS : no HE2:sc= -2.03 K(o=-2,f=-4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -132:sc= 0.109 (180deg=-2.72!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 19 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 19 2.390 1.402 -1.731 1.00 64.31 C ATOM 4 O GLY A 19 2.190 2.387 -1.021 1.00 52.42 O ATOM 0 HA2 GLY A 19 2.999 -0.555 -1.115 1.00 45.03 H new ATOM 0 HA3 GLY A 19 1.493 -0.521 -2.010 1.00 45.03 H new ATOM 8 N PRO A 20 2.901 1.503 -2.967 1.00 44.01 N ATOM 9 CA PRO A 20 3.261 2.789 -3.572 1.00 72.01 C ATOM 10 C PRO A 20 2.037 3.636 -3.903 1.00 11.44 C ATOM 11 O PRO A 20 0.916 3.299 -3.523 1.00 70.34 O ATOM 12 CB PRO A 20 3.994 2.385 -4.854 1.00 12.41 C ATOM 13 CG PRO A 20 3.460 1.035 -5.186 1.00 24.30 C ATOM 14 CD PRO A 20 3.167 0.370 -3.869 1.00 40.14 C ATOM 0 HA PRO A 20 3.859 3.403 -2.899 1.00 72.01 H new ATOM 0 HB2 PRO A 20 3.804 3.095 -5.659 1.00 12.41 H new ATOM 0 HB3 PRO A 20 5.073 2.357 -4.701 1.00 12.41 H new ATOM 0 HG2 PRO A 20 2.559 1.111 -5.794 1.00 24.30 H new ATOM 0 HG3 PRO A 20 4.185 0.459 -5.761 1.00 24.30 H new ATOM 0 HD2 PRO A 20 2.309 -0.298 -3.938 1.00 40.14 H new ATOM 0 HD3 PRO A 20 4.010 -0.229 -3.525 1.00 40.14 H new ATOM 22 N MET A 21 2.260 4.738 -4.612 1.00 33.01 N ATOM 23 CA MET A 21 1.173 5.633 -4.995 1.00 25.43 C ATOM 24 C MET A 21 0.677 5.314 -6.402 1.00 2.25 C ATOM 25 O MET A 21 -0.342 5.843 -6.844 1.00 11.04 O ATOM 26 CB MET A 21 1.634 7.090 -4.921 1.00 64.44 C ATOM 27 CG MET A 21 2.762 7.419 -5.885 1.00 45.34 C ATOM 28 SD MET A 21 3.817 8.755 -5.290 1.00 54.50 S ATOM 29 CE MET A 21 5.353 8.373 -6.127 1.00 23.12 C ATOM 0 H MET A 21 3.182 5.033 -4.933 1.00 33.01 H new ATOM 0 HA MET A 21 0.349 5.485 -4.297 1.00 25.43 H new ATOM 0 HB2 MET A 21 0.786 7.742 -5.130 1.00 64.44 H new ATOM 0 HB3 MET A 21 1.960 7.308 -3.904 1.00 64.44 H new ATOM 0 HG2 MET A 21 3.368 6.528 -6.047 1.00 45.34 H new ATOM 0 HG3 MET A 21 2.340 7.697 -6.851 1.00 45.34 H new ATOM 0 HE1 MET A 21 6.107 9.113 -5.859 1.00 23.12 H new ATOM 0 HE2 MET A 21 5.694 7.382 -5.827 1.00 23.12 H new ATOM 0 HE3 MET A 21 5.194 8.391 -7.205 1.00 23.12 H new ATOM 39 N GLU A 22 1.405 4.448 -7.099 1.00 72.41 N ATOM 40 CA GLU A 22 1.038 4.061 -8.456 1.00 75.13 C ATOM 41 C GLU A 22 -0.244 3.233 -8.458 1.00 74.00 C ATOM 42 O GLU A 22 -0.448 2.385 -7.590 1.00 70.44 O ATOM 43 CB GLU A 22 2.171 3.267 -9.109 1.00 3.03 C ATOM 44 CG GLU A 22 1.978 3.043 -10.599 1.00 43.01 C ATOM 45 CD GLU A 22 3.166 2.355 -11.244 1.00 75.12 C ATOM 46 OE1 GLU A 22 3.059 1.976 -12.430 1.00 11.44 O ATOM 47 OE2 GLU A 22 4.201 2.195 -10.564 1.00 75.44 O ATOM 0 H GLU A 22 2.252 4.001 -6.747 1.00 72.41 H new ATOM 0 HA GLU A 22 0.864 4.971 -9.030 1.00 75.13 H new ATOM 0 HB2 GLU A 22 3.112 3.794 -8.948 1.00 3.03 H new ATOM 0 HB3 GLU A 22 2.258 2.300 -8.613 1.00 3.03 H new ATOM 0 HG2 GLU A 22 1.083 2.441 -10.759 1.00 43.01 H new ATOM 0 HG3 GLU A 22 1.809 4.002 -11.088 1.00 43.01 H new ATOM 54 N GLU A 23 -1.105 3.487 -9.439 1.00 2.30 N ATOM 55 CA GLU A 23 -2.367 2.767 -9.553 1.00 34.44 C ATOM 56 C GLU A 23 -2.155 1.394 -10.184 1.00 72.30 C ATOM 57 O GLU A 23 -2.823 0.424 -9.826 1.00 11.22 O ATOM 58 CB GLU A 23 -3.368 3.573 -10.383 1.00 44.25 C ATOM 59 CG GLU A 23 -4.234 4.507 -9.555 1.00 71.20 C ATOM 60 CD GLU A 23 -5.475 3.824 -9.014 1.00 13.11 C ATOM 61 OE1 GLU A 23 -6.332 3.420 -9.828 1.00 62.11 O ATOM 62 OE2 GLU A 23 -5.590 3.694 -7.777 1.00 54.34 O ATOM 0 H GLU A 23 -0.951 4.186 -10.166 1.00 2.30 H new ATOM 0 HA GLU A 23 -2.768 2.629 -8.549 1.00 34.44 H new ATOM 0 HB2 GLU A 23 -2.824 4.158 -11.125 1.00 44.25 H new ATOM 0 HB3 GLU A 23 -4.012 2.884 -10.930 1.00 44.25 H new ATOM 0 HG2 GLU A 23 -3.648 4.899 -8.724 1.00 71.20 H new ATOM 0 HG3 GLU A 23 -4.530 5.360 -10.166 1.00 71.20 H new ATOM 69 N ALA A 24 -1.221 1.320 -11.126 1.00 41.33 N ATOM 70 CA ALA A 24 -0.919 0.067 -11.807 1.00 11.21 C ATOM 71 C ALA A 24 -0.168 -0.890 -10.887 1.00 53.05 C ATOM 72 O ALA A 24 -0.350 -2.105 -10.959 1.00 11.53 O ATOM 73 CB ALA A 24 -0.111 0.333 -13.068 1.00 51.15 C ATOM 0 H ALA A 24 -0.660 2.114 -11.435 1.00 41.33 H new ATOM 0 HA ALA A 24 -1.862 -0.403 -12.086 1.00 11.21 H new ATOM 0 HB1 ALA A 24 0.107 -0.612 -13.566 1.00 51.15 H new ATOM 0 HB2 ALA A 24 -0.684 0.973 -13.739 1.00 51.15 H new ATOM 0 HB3 ALA A 24 0.823 0.828 -12.804 1.00 51.15 H new ATOM 79 N ASN A 25 0.677 -0.334 -10.025 1.00 35.20 N ATOM 80 CA ASN A 25 1.456 -1.139 -9.092 1.00 23.50 C ATOM 81 C ASN A 25 0.550 -1.815 -8.067 1.00 50.21 C ATOM 82 O ASN A 25 0.855 -2.900 -7.571 1.00 12.11 O ATOM 83 CB ASN A 25 2.493 -0.270 -8.378 1.00 51.30 C ATOM 84 CG ASN A 25 3.543 -1.094 -7.658 1.00 74.54 C ATOM 85 OD1 ASN A 25 4.691 -1.175 -8.094 1.00 42.42 O ATOM 86 ND2 ASN A 25 3.152 -1.713 -6.550 1.00 55.22 N ATOM 0 H ASN A 25 0.840 0.670 -9.953 1.00 35.20 H new ATOM 0 HA ASN A 25 1.970 -1.913 -9.662 1.00 23.50 H new ATOM 0 HB2 ASN A 25 2.981 0.379 -9.105 1.00 51.30 H new ATOM 0 HB3 ASN A 25 1.988 0.377 -7.661 1.00 51.30 H new ATOM 0 HD21 ASN A 25 3.814 -2.284 -6.024 1.00 55.22 H new ATOM 0 HD22 ASN A 25 2.190 -1.618 -6.225 1.00 55.22 H new ATOM 93 N THR A 26 -0.567 -1.165 -7.754 1.00 72.52 N ATOM 94 CA THR A 26 -1.518 -1.702 -6.789 1.00 10.14 C ATOM 95 C THR A 26 -2.659 -2.431 -7.488 1.00 35.11 C ATOM 96 O THR A 26 -3.330 -3.274 -6.891 1.00 71.21 O ATOM 97 CB THR A 26 -2.104 -0.589 -5.899 1.00 45.00 C ATOM 98 OG1 THR A 26 -2.281 0.608 -6.665 1.00 32.21 O ATOM 99 CG2 THR A 26 -1.192 -0.308 -4.714 1.00 32.02 C ATOM 0 H THR A 26 -0.835 -0.266 -8.155 1.00 72.52 H new ATOM 0 HA THR A 26 -0.970 -2.407 -6.164 1.00 10.14 H new ATOM 0 HB THR A 26 -3.070 -0.925 -5.523 1.00 45.00 H new ATOM 0 HG1 THR A 26 -1.416 1.055 -6.779 1.00 32.21 H new ATOM 0 HG21 THR A 26 -1.626 0.481 -4.100 1.00 32.02 H new ATOM 0 HG22 THR A 26 -1.082 -1.213 -4.117 1.00 32.02 H new ATOM 0 HG23 THR A 26 -0.214 0.010 -5.075 1.00 32.02 H new ATOM 107 N THR A 27 -2.876 -2.102 -8.758 1.00 21.42 N ATOM 108 CA THR A 27 -3.937 -2.726 -9.539 1.00 1.14 C ATOM 109 C THR A 27 -3.368 -3.723 -10.542 1.00 11.04 C ATOM 110 O THR A 27 -2.836 -3.352 -11.588 1.00 71.42 O ATOM 111 CB THR A 27 -4.771 -1.674 -10.294 1.00 43.01 C ATOM 112 OG1 THR A 27 -5.174 -0.632 -9.398 1.00 21.51 O ATOM 113 CG2 THR A 27 -6.000 -2.310 -10.926 1.00 44.24 C ATOM 0 H THR A 27 -2.331 -1.407 -9.267 1.00 21.42 H new ATOM 0 HA THR A 27 -4.581 -3.252 -8.834 1.00 1.14 H new ATOM 0 HB THR A 27 -4.152 -1.252 -11.086 1.00 43.01 H new ATOM 0 HG1 THR A 27 -4.449 0.021 -9.308 1.00 21.51 H new ATOM 0 HG21 THR A 27 -6.573 -1.548 -11.454 1.00 44.24 H new ATOM 0 HG22 THR A 27 -5.689 -3.082 -11.630 1.00 44.24 H new ATOM 0 HG23 THR A 27 -6.619 -2.756 -10.148 1.00 44.24 H new ATOM 121 N PRO A 28 -3.482 -5.020 -10.218 1.00 1.44 N ATOM 122 CA PRO A 28 -2.985 -6.097 -11.079 1.00 35.13 C ATOM 123 C PRO A 28 -3.806 -6.243 -12.356 1.00 21.23 C ATOM 124 O PRO A 28 -3.253 -6.379 -13.447 1.00 62.45 O ATOM 125 CB PRO A 28 -3.130 -7.345 -10.204 1.00 75.13 C ATOM 126 CG PRO A 28 -4.219 -7.011 -9.244 1.00 52.51 C ATOM 127 CD PRO A 28 -4.104 -5.534 -8.986 1.00 54.41 C ATOM 0 HA PRO A 28 -1.965 -5.912 -11.416 1.00 35.13 H new ATOM 0 HB2 PRO A 28 -3.384 -8.220 -10.802 1.00 75.13 H new ATOM 0 HB3 PRO A 28 -2.200 -7.574 -9.684 1.00 75.13 H new ATOM 0 HG2 PRO A 28 -5.196 -7.260 -9.659 1.00 52.51 H new ATOM 0 HG3 PRO A 28 -4.112 -7.578 -8.319 1.00 52.51 H new ATOM 0 HD2 PRO A 28 -5.079 -5.080 -8.808 1.00 54.41 H new ATOM 0 HD3 PRO A 28 -3.491 -5.326 -8.109 1.00 54.41 H new ATOM 135 N ILE A 29 -5.126 -6.214 -12.212 1.00 14.52 N ATOM 136 CA ILE A 29 -6.022 -6.341 -13.355 1.00 20.13 C ATOM 137 C ILE A 29 -6.558 -4.981 -13.788 1.00 2.33 C ATOM 138 O ILE A 29 -6.963 -4.168 -12.956 1.00 73.44 O ATOM 139 CB ILE A 29 -7.209 -7.271 -13.039 1.00 45.21 C ATOM 140 CG1 ILE A 29 -8.040 -7.518 -14.299 1.00 72.14 C ATOM 141 CG2 ILE A 29 -8.071 -6.673 -11.937 1.00 71.44 C ATOM 142 CD1 ILE A 29 -7.318 -8.332 -15.350 1.00 44.31 C ATOM 0 H ILE A 29 -5.599 -6.104 -11.315 1.00 14.52 H new ATOM 0 HA ILE A 29 -5.438 -6.774 -14.167 1.00 20.13 H new ATOM 0 HB ILE A 29 -6.820 -8.228 -12.690 1.00 45.21 H new ATOM 0 HG12 ILE A 29 -8.961 -8.032 -14.022 1.00 72.14 H new ATOM 0 HG13 ILE A 29 -8.328 -6.558 -14.729 1.00 72.14 H new ATOM 0 HG21 ILE A 29 -8.906 -7.341 -11.725 1.00 71.44 H new ATOM 0 HG22 ILE A 29 -7.471 -6.544 -11.036 1.00 71.44 H new ATOM 0 HG23 ILE A 29 -8.454 -5.705 -12.260 1.00 71.44 H new ATOM 0 HD11 ILE A 29 -7.967 -8.468 -16.215 1.00 44.31 H new ATOM 0 HD12 ILE A 29 -6.411 -7.810 -15.655 1.00 44.31 H new ATOM 0 HD13 ILE A 29 -7.054 -9.306 -14.938 1.00 44.31 H new ATOM 154 N SER A 30 -6.558 -4.740 -15.095 1.00 11.41 N ATOM 155 CA SER A 30 -7.043 -3.477 -15.639 1.00 44.52 C ATOM 156 C SER A 30 -8.553 -3.521 -15.853 1.00 45.31 C ATOM 157 O SER A 30 -9.103 -4.542 -16.265 1.00 53.32 O ATOM 158 CB SER A 30 -6.338 -3.162 -16.960 1.00 62.43 C ATOM 159 OG SER A 30 -4.975 -3.546 -16.915 1.00 25.41 O ATOM 0 H SER A 30 -6.228 -5.402 -15.797 1.00 11.41 H new ATOM 0 HA SER A 30 -6.819 -2.690 -14.919 1.00 44.52 H new ATOM 0 HB2 SER A 30 -6.839 -3.683 -17.776 1.00 62.43 H new ATOM 0 HB3 SER A 30 -6.412 -2.095 -17.170 1.00 62.43 H new ATOM 0 HG SER A 30 -4.669 -3.772 -17.818 1.00 25.41 H new ATOM 165 N VAL A 31 -9.217 -2.405 -15.570 1.00 1.23 N ATOM 166 CA VAL A 31 -10.663 -2.314 -15.732 1.00 31.05 C ATOM 167 C VAL A 31 -11.057 -2.391 -17.202 1.00 54.01 C ATOM 168 O VAL A 31 -10.376 -1.842 -18.069 1.00 35.22 O ATOM 169 CB VAL A 31 -11.214 -1.007 -15.131 1.00 50.13 C ATOM 170 CG1 VAL A 31 -11.062 -1.008 -13.618 1.00 23.21 C ATOM 171 CG2 VAL A 31 -10.515 0.197 -15.745 1.00 22.22 C ATOM 0 H VAL A 31 -8.776 -1.551 -15.227 1.00 1.23 H new ATOM 0 HA VAL A 31 -11.095 -3.161 -15.199 1.00 31.05 H new ATOM 0 HB VAL A 31 -12.277 -0.940 -15.364 1.00 50.13 H new ATOM 0 HG11 VAL A 31 -11.457 -0.077 -13.212 1.00 23.21 H new ATOM 0 HG12 VAL A 31 -11.613 -1.849 -13.198 1.00 23.21 H new ATOM 0 HG13 VAL A 31 -10.007 -1.099 -13.358 1.00 23.21 H new ATOM 0 HG21 VAL A 31 -10.916 1.112 -15.309 1.00 22.22 H new ATOM 0 HG22 VAL A 31 -9.445 0.138 -15.544 1.00 22.22 H new ATOM 0 HG23 VAL A 31 -10.682 0.205 -16.822 1.00 22.22 H new ATOM 181 N LYS A 32 -12.162 -3.076 -17.478 1.00 14.54 N ATOM 182 CA LYS A 32 -12.651 -3.224 -18.843 1.00 65.05 C ATOM 183 C LYS A 32 -13.188 -1.900 -19.376 1.00 43.43 C ATOM 184 O LYS A 32 -13.801 -1.127 -18.640 1.00 52.41 O ATOM 185 CB LYS A 32 -13.746 -4.291 -18.902 1.00 64.44 C ATOM 186 CG LYS A 32 -14.065 -4.758 -20.312 1.00 53.42 C ATOM 187 CD LYS A 32 -14.973 -5.976 -20.304 1.00 61.22 C ATOM 188 CE LYS A 32 -16.349 -5.643 -19.749 1.00 10.33 C ATOM 189 NZ LYS A 32 -17.217 -6.849 -19.656 1.00 31.11 N1+ ATOM 0 H LYS A 32 -12.736 -3.538 -16.773 1.00 14.54 H new ATOM 0 HA LYS A 32 -11.815 -3.535 -19.469 1.00 65.05 H new ATOM 0 HB2 LYS A 32 -13.438 -5.149 -18.305 1.00 64.44 H new ATOM 0 HB3 LYS A 32 -14.653 -3.894 -18.446 1.00 64.44 H new ATOM 0 HG2 LYS A 32 -14.544 -3.950 -20.864 1.00 53.42 H new ATOM 0 HG3 LYS A 32 -13.139 -4.997 -20.835 1.00 53.42 H new ATOM 0 HD2 LYS A 32 -15.073 -6.363 -21.318 1.00 61.22 H new ATOM 0 HD3 LYS A 32 -14.519 -6.765 -19.705 1.00 61.22 H new ATOM 0 HE2 LYS A 32 -16.243 -5.195 -18.761 1.00 10.33 H new ATOM 0 HE3 LYS A 32 -16.827 -4.900 -20.387 1.00 10.33 H new ATOM 0 HZ1 LYS A 32 -18.146 -6.580 -19.273 1.00 31.11 H new ATOM 0 HZ2 LYS A 32 -17.339 -7.263 -20.602 1.00 31.11 H new ATOM 0 HZ3 LYS A 32 -16.773 -7.548 -19.027 1.00 31.11 H new ATOM 203 N ASP A 33 -12.955 -1.645 -20.659 1.00 64.00 N ATOM 204 CA ASP A 33 -13.418 -0.415 -21.291 1.00 4.11 C ATOM 205 C ASP A 33 -14.822 -0.592 -21.860 1.00 42.42 C ATOM 206 O ASP A 33 -15.169 -1.662 -22.359 1.00 2.13 O ATOM 207 CB ASP A 33 -12.453 0.008 -22.400 1.00 75.24 C ATOM 208 CG ASP A 33 -12.731 1.410 -22.905 1.00 42.22 C ATOM 209 OD1 ASP A 33 -12.328 1.721 -24.046 1.00 10.11 O ATOM 210 OD2 ASP A 33 -13.351 2.197 -22.160 1.00 35.41 O ATOM 0 H ASP A 33 -12.448 -2.274 -21.282 1.00 64.00 H new ATOM 0 HA ASP A 33 -13.450 0.366 -20.531 1.00 4.11 H new ATOM 0 HB2 ASP A 33 -11.430 -0.045 -22.027 1.00 75.24 H new ATOM 0 HB3 ASP A 33 -12.527 -0.695 -23.230 1.00 75.24 H new ATOM 215 N GLN A 34 -15.624 0.465 -21.781 1.00 33.12 N ATOM 216 CA GLN A 34 -16.991 0.425 -22.287 1.00 33.13 C ATOM 217 C GLN A 34 -17.008 0.428 -23.812 1.00 4.33 C ATOM 218 O GLN A 34 -16.138 1.021 -24.451 1.00 52.21 O ATOM 219 CB GLN A 34 -17.790 1.616 -21.754 1.00 22.24 C ATOM 220 CG GLN A 34 -18.726 1.258 -20.611 1.00 74.21 C ATOM 221 CD GLN A 34 -19.629 0.085 -20.942 1.00 5.14 C ATOM 222 OE1 GLN A 34 -19.824 -0.813 -20.122 1.00 15.41 O ATOM 223 NE2 GLN A 34 -20.184 0.087 -22.148 1.00 21.32 N ATOM 0 H GLN A 34 -15.351 1.359 -21.372 1.00 33.12 H new ATOM 0 HA GLN A 34 -17.453 -0.499 -21.939 1.00 33.13 H new ATOM 0 HB2 GLN A 34 -17.097 2.386 -21.417 1.00 22.24 H new ATOM 0 HB3 GLN A 34 -18.373 2.046 -22.569 1.00 22.24 H new ATOM 0 HG2 GLN A 34 -18.137 1.020 -19.725 1.00 74.21 H new ATOM 0 HG3 GLN A 34 -19.339 2.125 -20.363 1.00 74.21 H new ATOM 0 HE21 GLN A 34 -19.994 0.852 -22.795 1.00 21.32 H new ATOM 0 HE22 GLN A 34 -20.800 -0.676 -22.427 1.00 21.32 H new ATOM 232 N CYS A 35 -18.002 -0.238 -24.389 1.00 42.22 N ATOM 233 CA CYS A 35 -18.132 -0.313 -25.839 1.00 41.13 C ATOM 234 C CYS A 35 -19.138 0.715 -26.349 1.00 42.13 C ATOM 235 O CYS A 35 -19.959 1.225 -25.588 1.00 53.23 O ATOM 236 CB CYS A 35 -18.564 -1.719 -26.261 1.00 51.54 C ATOM 237 SG CYS A 35 -18.249 -2.098 -28.015 1.00 70.11 S ATOM 0 H CYS A 35 -18.730 -0.734 -23.874 1.00 42.22 H new ATOM 0 HA CYS A 35 -17.159 -0.092 -26.278 1.00 41.13 H new ATOM 0 HB2 CYS A 35 -18.041 -2.449 -25.643 1.00 51.54 H new ATOM 0 HB3 CYS A 35 -19.629 -1.836 -26.061 1.00 51.54 H new ATOM 0 HG CYS A 35 -19.112 -1.469 -28.757 1.00 70.11 H new ATOM 242 N ALA A 36 -19.066 1.014 -27.642 1.00 73.33 N ATOM 243 CA ALA A 36 -19.971 1.978 -28.255 1.00 13.33 C ATOM 244 C ALA A 36 -21.190 1.284 -28.854 1.00 45.24 C ATOM 245 O ALA A 36 -21.097 0.159 -29.342 1.00 23.53 O ATOM 246 CB ALA A 36 -19.242 2.783 -29.320 1.00 53.24 C ATOM 0 H ALA A 36 -18.390 0.602 -28.285 1.00 73.33 H new ATOM 0 HA ALA A 36 -20.319 2.657 -27.477 1.00 13.33 H new ATOM 0 HB1 ALA A 36 -19.930 3.499 -29.769 1.00 53.24 H new ATOM 0 HB2 ALA A 36 -18.408 3.318 -28.865 1.00 53.24 H new ATOM 0 HB3 ALA A 36 -18.865 2.110 -30.090 1.00 53.24 H new ATOM 252 N ASN A 37 -22.331 1.963 -28.814 1.00 53.41 N ATOM 253 CA ASN A 37 -23.569 1.411 -29.353 1.00 23.32 C ATOM 254 C ASN A 37 -23.773 1.844 -30.801 1.00 40.22 C ATOM 255 O ASN A 37 -24.873 1.738 -31.343 1.00 53.02 O ATOM 256 CB ASN A 37 -24.762 1.853 -28.503 1.00 43.31 C ATOM 257 CG ASN A 37 -25.602 0.682 -28.032 1.00 54.23 C ATOM 258 OD1 ASN A 37 -26.061 0.653 -26.890 1.00 70.52 O ATOM 259 ND2 ASN A 37 -25.808 -0.290 -28.913 1.00 20.21 N ATOM 0 H ASN A 37 -22.425 2.897 -28.414 1.00 53.41 H new ATOM 0 HA ASN A 37 -23.495 0.324 -29.325 1.00 23.32 H new ATOM 0 HB2 ASN A 37 -24.402 2.409 -27.638 1.00 43.31 H new ATOM 0 HB3 ASN A 37 -25.385 2.534 -29.083 1.00 43.31 H new ATOM 0 HD21 ASN A 37 -26.367 -1.103 -28.654 1.00 20.21 H new ATOM 0 HD22 ASN A 37 -25.408 -0.223 -29.849 1.00 20.21 H new ATOM 266 N VAL A 38 -22.705 2.333 -31.423 1.00 64.33 N ATOM 267 CA VAL A 38 -22.765 2.781 -32.809 1.00 74.24 C ATOM 268 C VAL A 38 -23.489 1.764 -33.685 1.00 30.54 C ATOM 269 O VAL A 38 -23.357 0.555 -33.491 1.00 22.44 O ATOM 270 CB VAL A 38 -21.357 3.025 -33.383 1.00 22.14 C ATOM 271 CG1 VAL A 38 -20.590 4.011 -32.514 1.00 54.15 C ATOM 272 CG2 VAL A 38 -20.599 1.712 -33.509 1.00 43.12 C ATOM 0 H VAL A 38 -21.787 2.429 -30.988 1.00 64.33 H new ATOM 0 HA VAL A 38 -23.318 3.720 -32.813 1.00 74.24 H new ATOM 0 HB VAL A 38 -21.459 3.457 -34.379 1.00 22.14 H new ATOM 0 HG11 VAL A 38 -19.597 4.171 -32.935 1.00 54.15 H new ATOM 0 HG12 VAL A 38 -21.127 4.959 -32.479 1.00 54.15 H new ATOM 0 HG13 VAL A 38 -20.496 3.610 -31.505 1.00 54.15 H new ATOM 0 HG21 VAL A 38 -19.606 1.903 -33.916 1.00 43.12 H new ATOM 0 HG22 VAL A 38 -20.506 1.250 -32.526 1.00 43.12 H new ATOM 0 HG23 VAL A 38 -21.142 1.041 -34.175 1.00 43.12 H new ATOM 282 N THR A 39 -24.255 2.261 -34.651 1.00 33.24 N ATOM 283 CA THR A 39 -25.001 1.396 -35.556 1.00 71.01 C ATOM 284 C THR A 39 -24.422 1.445 -36.965 1.00 43.22 C ATOM 285 O THR A 39 -23.808 2.437 -37.361 1.00 23.41 O ATOM 286 CB THR A 39 -26.489 1.790 -35.611 1.00 51.10 C ATOM 287 OG1 THR A 39 -26.616 3.181 -35.926 1.00 52.10 O ATOM 288 CG2 THR A 39 -27.175 1.501 -34.284 1.00 60.44 C ATOM 0 H THR A 39 -24.375 3.259 -34.827 1.00 33.24 H new ATOM 0 HA THR A 39 -24.916 0.382 -35.166 1.00 71.01 H new ATOM 0 HB THR A 39 -26.971 1.196 -36.388 1.00 51.10 H new ATOM 0 HG1 THR A 39 -27.565 3.423 -35.961 1.00 52.10 H new ATOM 0 HG21 THR A 39 -28.225 1.787 -34.347 1.00 60.44 H new ATOM 0 HG22 THR A 39 -27.102 0.437 -34.061 1.00 60.44 H new ATOM 0 HG23 THR A 39 -26.690 2.072 -33.492 1.00 60.44 H new ATOM 296 N CYS A 40 -24.621 0.370 -37.720 1.00 21.33 N ATOM 297 CA CYS A 40 -24.118 0.290 -39.086 1.00 35.31 C ATOM 298 C CYS A 40 -25.241 -0.061 -40.059 1.00 0.44 C ATOM 299 O CYS A 40 -26.352 -0.394 -39.646 1.00 51.32 O ATOM 300 CB CYS A 40 -23.003 -0.753 -39.181 1.00 44.30 C ATOM 301 SG CYS A 40 -23.253 -2.209 -38.116 1.00 71.31 S ATOM 0 H CYS A 40 -25.128 -0.459 -37.408 1.00 21.33 H new ATOM 0 HA CYS A 40 -23.717 1.267 -39.357 1.00 35.31 H new ATOM 0 HB2 CYS A 40 -22.917 -1.084 -40.216 1.00 44.30 H new ATOM 0 HB3 CYS A 40 -22.056 -0.282 -38.917 1.00 44.30 H new ATOM 306 N ARG A 41 -24.942 0.017 -41.351 1.00 40.12 N ATOM 307 CA ARG A 41 -25.925 -0.291 -42.383 1.00 13.44 C ATOM 308 C ARG A 41 -25.251 -0.883 -43.617 1.00 34.43 C ATOM 309 O ARG A 41 -24.314 -0.302 -44.164 1.00 20.34 O ATOM 310 CB ARG A 41 -26.702 0.969 -42.768 1.00 55.34 C ATOM 311 CG ARG A 41 -25.845 2.035 -43.430 1.00 4.52 C ATOM 312 CD ARG A 41 -26.609 3.339 -43.600 1.00 3.24 C ATOM 313 NE ARG A 41 -25.872 4.303 -44.413 1.00 14.33 N ATOM 314 CZ ARG A 41 -24.853 5.023 -43.956 1.00 54.15 C ATOM 315 NH1 ARG A 41 -24.452 4.888 -42.700 1.00 61.21 N1+ ATOM 316 NH2 ARG A 41 -24.233 5.880 -44.758 1.00 15.03 N ATOM 0 H ARG A 41 -24.027 0.291 -41.709 1.00 40.12 H new ATOM 0 HA ARG A 41 -26.619 -1.029 -41.980 1.00 13.44 H new ATOM 0 HB2 ARG A 41 -27.511 0.694 -43.444 1.00 55.34 H new ATOM 0 HB3 ARG A 41 -27.163 1.389 -41.874 1.00 55.34 H new ATOM 0 HG2 ARG A 41 -24.953 2.211 -42.829 1.00 4.52 H new ATOM 0 HG3 ARG A 41 -25.509 1.680 -44.404 1.00 4.52 H new ATOM 0 HD2 ARG A 41 -27.574 3.136 -44.064 1.00 3.24 H new ATOM 0 HD3 ARG A 41 -26.811 3.771 -42.620 1.00 3.24 H new ATOM 0 HE ARG A 41 -26.155 4.430 -45.385 1.00 14.33 H new ATOM 0 HH11 ARG A 41 -24.926 4.230 -42.081 1.00 61.21 H new ATOM 0 HH12 ARG A 41 -23.669 5.442 -42.352 1.00 61.21 H new ATOM 0 HH21 ARG A 41 -24.539 5.986 -45.725 1.00 15.03 H new ATOM 0 HH22 ARG A 41 -23.451 6.433 -44.407 1.00 15.03 H new ATOM 330 N ARG A 42 -25.735 -2.043 -44.049 1.00 73.21 N ATOM 331 CA ARG A 42 -25.179 -2.715 -45.217 1.00 62.31 C ATOM 332 C ARG A 42 -26.288 -3.297 -46.089 1.00 44.34 C ATOM 333 O ARG A 42 -27.147 -4.037 -45.610 1.00 12.33 O ATOM 334 CB ARG A 42 -24.220 -3.826 -44.784 1.00 74.31 C ATOM 335 CG ARG A 42 -22.949 -3.892 -45.615 1.00 11.24 C ATOM 336 CD ARG A 42 -21.964 -2.805 -45.212 1.00 54.04 C ATOM 337 NE ARG A 42 -22.270 -1.527 -45.849 1.00 11.40 N ATOM 338 CZ ARG A 42 -21.732 -0.372 -45.474 1.00 44.40 C ATOM 339 NH1 ARG A 42 -20.865 -0.335 -44.472 1.00 4.14 N1+ ATOM 340 NH2 ARG A 42 -22.060 0.750 -46.103 1.00 21.13 N ATOM 0 H ARG A 42 -26.511 -2.537 -43.608 1.00 73.21 H new ATOM 0 HA ARG A 42 -24.630 -1.977 -45.802 1.00 62.31 H new ATOM 0 HB2 ARG A 42 -23.953 -3.676 -43.738 1.00 74.31 H new ATOM 0 HB3 ARG A 42 -24.735 -4.784 -44.847 1.00 74.31 H new ATOM 0 HG2 ARG A 42 -22.483 -4.870 -45.493 1.00 11.24 H new ATOM 0 HG3 ARG A 42 -23.197 -3.786 -46.671 1.00 11.24 H new ATOM 0 HD2 ARG A 42 -21.981 -2.684 -44.129 1.00 54.04 H new ATOM 0 HD3 ARG A 42 -20.954 -3.112 -45.483 1.00 54.04 H new ATOM 0 HE ARG A 42 -22.933 -1.521 -46.624 1.00 11.40 H new ATOM 0 HH11 ARG A 42 -20.609 -1.195 -43.987 1.00 4.14 H new ATOM 0 HH12 ARG A 42 -20.453 0.553 -44.186 1.00 4.14 H new ATOM 0 HH21 ARG A 42 -22.726 0.726 -46.875 1.00 21.13 H new ATOM 0 HH22 ARG A 42 -21.646 1.636 -45.814 1.00 21.13 H new ATOM 354 N THR A 43 -26.263 -2.956 -47.374 1.00 64.34 N ATOM 355 CA THR A 43 -27.266 -3.442 -48.313 1.00 64.34 C ATOM 356 C THR A 43 -26.614 -4.013 -49.568 1.00 3.41 C ATOM 357 O THR A 43 -25.567 -3.536 -50.007 1.00 61.11 O ATOM 358 CB THR A 43 -28.243 -2.324 -48.720 1.00 13.30 C ATOM 359 OG1 THR A 43 -28.322 -1.341 -47.682 1.00 11.42 O ATOM 360 CG2 THR A 43 -29.628 -2.889 -48.996 1.00 33.42 C ATOM 0 H THR A 43 -25.559 -2.345 -47.788 1.00 64.34 H new ATOM 0 HA THR A 43 -27.820 -4.231 -47.803 1.00 64.34 H new ATOM 0 HB THR A 43 -27.869 -1.860 -49.632 1.00 13.30 H new ATOM 0 HG1 THR A 43 -28.814 -0.559 -48.009 1.00 11.42 H new ATOM 0 HG21 THR A 43 -30.301 -2.080 -49.282 1.00 33.42 H new ATOM 0 HG22 THR A 43 -29.570 -3.616 -49.806 1.00 33.42 H new ATOM 0 HG23 THR A 43 -30.008 -3.377 -48.098 1.00 33.42 H new ATOM 368 N VAL A 44 -27.239 -5.036 -50.142 1.00 13.54 N ATOM 369 CA VAL A 44 -26.721 -5.670 -51.348 1.00 4.24 C ATOM 370 C VAL A 44 -27.838 -6.336 -52.142 1.00 51.03 C ATOM 371 O VAL A 44 -28.481 -7.271 -51.665 1.00 63.41 O ATOM 372 CB VAL A 44 -25.647 -6.722 -51.011 1.00 73.00 C ATOM 373 CG1 VAL A 44 -26.186 -7.733 -50.010 1.00 4.21 C ATOM 374 CG2 VAL A 44 -25.167 -7.416 -52.277 1.00 33.55 C ATOM 0 H VAL A 44 -28.106 -5.444 -49.791 1.00 13.54 H new ATOM 0 HA VAL A 44 -26.271 -4.882 -51.952 1.00 4.24 H new ATOM 0 HB VAL A 44 -24.796 -6.215 -50.556 1.00 73.00 H new ATOM 0 HG11 VAL A 44 -25.414 -8.468 -49.784 1.00 4.21 H new ATOM 0 HG12 VAL A 44 -26.477 -7.219 -49.094 1.00 4.21 H new ATOM 0 HG13 VAL A 44 -27.054 -8.237 -50.434 1.00 4.21 H new ATOM 0 HG21 VAL A 44 -24.409 -8.156 -52.021 1.00 33.55 H new ATOM 0 HG22 VAL A 44 -26.008 -7.911 -52.762 1.00 33.55 H new ATOM 0 HG23 VAL A 44 -24.740 -6.679 -52.956 1.00 33.55 H new ATOM 384 N ASP A 45 -28.064 -5.848 -53.357 1.00 73.31 N ATOM 385 CA ASP A 45 -29.104 -6.397 -54.220 1.00 62.30 C ATOM 386 C ASP A 45 -28.532 -6.785 -55.580 1.00 52.23 C ATOM 387 O ASP A 45 -27.532 -6.225 -56.026 1.00 63.02 O ATOM 388 CB ASP A 45 -30.236 -5.385 -54.398 1.00 41.55 C ATOM 389 CG ASP A 45 -31.597 -6.047 -54.481 1.00 53.50 C ATOM 390 OD1 ASP A 45 -31.695 -7.128 -55.098 1.00 52.14 O ATOM 391 OD2 ASP A 45 -32.565 -5.484 -53.928 1.00 3.35 O ATOM 0 H ASP A 45 -27.541 -5.074 -53.766 1.00 73.31 H new ATOM 0 HA ASP A 45 -29.501 -7.293 -53.744 1.00 62.30 H new ATOM 0 HB2 ASP A 45 -30.227 -4.684 -53.564 1.00 41.55 H new ATOM 0 HB3 ASP A 45 -30.062 -4.805 -55.304 1.00 41.55 H new ATOM 396 N ASN A 46 -29.175 -7.747 -56.234 1.00 24.40 N ATOM 397 CA ASN A 46 -28.729 -8.211 -57.543 1.00 30.21 C ATOM 398 C ASN A 46 -27.231 -8.501 -57.536 1.00 72.23 C ATOM 399 O ASN A 46 -26.571 -8.433 -58.573 1.00 42.11 O ATOM 400 CB ASN A 46 -29.053 -7.168 -58.614 1.00 72.12 C ATOM 401 CG ASN A 46 -29.209 -7.783 -59.992 1.00 20.14 C ATOM 402 OD1 ASN A 46 -29.611 -8.939 -60.126 1.00 11.13 O ATOM 403 ND2 ASN A 46 -28.890 -7.011 -61.024 1.00 10.22 N ATOM 0 H ASN A 46 -30.006 -8.220 -55.879 1.00 24.40 H new ATOM 0 HA ASN A 46 -29.259 -9.135 -57.773 1.00 30.21 H new ATOM 0 HB2 ASN A 46 -29.973 -6.648 -58.345 1.00 72.12 H new ATOM 0 HB3 ASN A 46 -28.260 -6.420 -58.641 1.00 72.12 H new ATOM 0 HD21 ASN A 46 -28.974 -7.370 -61.975 1.00 10.22 H new ATOM 0 HD22 ASN A 46 -28.561 -6.059 -60.866 1.00 10.22 H new ATOM 410 N ARG A 47 -26.702 -8.825 -56.361 1.00 60.42 N ATOM 411 CA ARG A 47 -25.282 -9.125 -56.219 1.00 73.32 C ATOM 412 C ARG A 47 -25.070 -10.592 -55.854 1.00 13.54 C ATOM 413 O ARG A 47 -24.073 -11.200 -56.238 1.00 44.23 O ATOM 414 CB ARG A 47 -24.654 -8.227 -55.153 1.00 4.42 C ATOM 415 CG ARG A 47 -23.380 -7.536 -55.612 1.00 50.22 C ATOM 416 CD ARG A 47 -22.997 -6.397 -54.680 1.00 42.23 C ATOM 417 NE ARG A 47 -22.355 -6.880 -53.460 1.00 53.15 N ATOM 418 CZ ARG A 47 -21.685 -6.097 -52.623 1.00 10.41 C ATOM 419 NH1 ARG A 47 -21.570 -4.799 -52.872 1.00 24.41 N1+ ATOM 420 NH2 ARG A 47 -21.129 -6.610 -51.533 1.00 70.42 N ATOM 0 H ARG A 47 -27.235 -8.887 -55.494 1.00 60.42 H new ATOM 0 HA ARG A 47 -24.798 -8.933 -57.177 1.00 73.32 H new ATOM 0 HB2 ARG A 47 -25.380 -7.471 -54.854 1.00 4.42 H new ATOM 0 HB3 ARG A 47 -24.434 -8.826 -54.269 1.00 4.42 H new ATOM 0 HG2 ARG A 47 -22.567 -8.261 -55.656 1.00 50.22 H new ATOM 0 HG3 ARG A 47 -23.518 -7.150 -56.622 1.00 50.22 H new ATOM 0 HD2 ARG A 47 -22.323 -5.715 -55.199 1.00 42.23 H new ATOM 0 HD3 ARG A 47 -23.889 -5.827 -54.419 1.00 42.23 H new ATOM 0 HE ARG A 47 -22.425 -7.873 -53.239 1.00 53.15 H new ATOM 0 HH11 ARG A 47 -21.997 -4.400 -53.708 1.00 24.41 H new ATOM 0 HH12 ARG A 47 -21.055 -4.200 -52.227 1.00 24.41 H new ATOM 0 HH21 ARG A 47 -21.216 -7.607 -51.337 1.00 70.42 H new ATOM 0 HH22 ARG A 47 -20.615 -6.007 -50.891 1.00 70.42 H new ATOM 434 N GLY A 48 -26.017 -11.153 -55.107 1.00 44.00 N ATOM 435 CA GLY A 48 -25.914 -12.543 -54.701 1.00 54.43 C ATOM 436 C GLY A 48 -24.902 -12.750 -53.593 1.00 2.14 C ATOM 437 O GLY A 48 -24.731 -13.864 -53.097 1.00 70.14 O ATOM 0 H GLY A 48 -26.852 -10.670 -54.776 1.00 44.00 H new ATOM 0 HA2 GLY A 48 -26.890 -12.894 -54.367 1.00 54.43 H new ATOM 0 HA3 GLY A 48 -25.634 -13.150 -55.562 1.00 54.43 H new ATOM 441 N LYS A 49 -24.226 -11.675 -53.202 1.00 51.41 N ATOM 442 CA LYS A 49 -23.224 -11.742 -52.145 1.00 61.21 C ATOM 443 C LYS A 49 -23.676 -10.960 -50.916 1.00 42.00 C ATOM 444 O LYS A 49 -24.145 -9.827 -51.028 1.00 34.54 O ATOM 445 CB LYS A 49 -21.886 -11.195 -52.647 1.00 63.42 C ATOM 446 CG LYS A 49 -20.680 -11.930 -52.087 1.00 1.43 C ATOM 447 CD LYS A 49 -19.378 -11.301 -52.553 1.00 43.41 C ATOM 448 CE LYS A 49 -18.887 -11.930 -53.848 1.00 22.34 C ATOM 449 NZ LYS A 49 -19.614 -11.399 -55.034 1.00 31.05 N1+ ATOM 0 H LYS A 49 -24.354 -10.746 -53.602 1.00 51.41 H new ATOM 0 HA LYS A 49 -23.099 -12.787 -51.863 1.00 61.21 H new ATOM 0 HB2 LYS A 49 -21.864 -11.254 -53.735 1.00 63.42 H new ATOM 0 HB3 LYS A 49 -21.813 -10.140 -52.384 1.00 63.42 H new ATOM 0 HG2 LYS A 49 -20.720 -11.920 -50.998 1.00 1.43 H new ATOM 0 HG3 LYS A 49 -20.712 -12.974 -52.398 1.00 1.43 H new ATOM 0 HD2 LYS A 49 -19.522 -10.230 -52.699 1.00 43.41 H new ATOM 0 HD3 LYS A 49 -18.619 -11.418 -51.780 1.00 43.41 H new ATOM 0 HE2 LYS A 49 -17.820 -11.740 -53.962 1.00 22.34 H new ATOM 0 HE3 LYS A 49 -19.015 -13.011 -53.798 1.00 22.34 H new ATOM 0 HZ1 LYS A 49 -18.987 -11.420 -55.864 1.00 31.05 H new ATOM 0 HZ2 LYS A 49 -20.452 -11.986 -55.219 1.00 31.05 H new ATOM 0 HZ3 LYS A 49 -19.911 -10.420 -54.849 1.00 31.05 H new ATOM 463 N ARG A 50 -23.529 -11.571 -49.745 1.00 14.32 N ATOM 464 CA ARG A 50 -23.922 -10.931 -48.495 1.00 54.21 C ATOM 465 C ARG A 50 -23.009 -9.751 -48.178 1.00 3.32 C ATOM 466 O ARG A 50 -21.786 -9.851 -48.287 1.00 72.43 O ATOM 467 CB ARG A 50 -23.886 -11.941 -47.347 1.00 11.12 C ATOM 468 CG ARG A 50 -25.122 -11.902 -46.462 1.00 64.02 C ATOM 469 CD ARG A 50 -25.355 -10.512 -45.893 1.00 14.53 C ATOM 470 NE ARG A 50 -26.373 -9.778 -46.640 1.00 35.10 N ATOM 471 CZ ARG A 50 -26.828 -8.582 -46.283 1.00 70.00 C ATOM 472 NH1 ARG A 50 -26.357 -7.988 -45.196 1.00 0.44 N1+ ATOM 473 NH2 ARG A 50 -27.755 -7.978 -47.015 1.00 15.11 N ATOM 0 H ARG A 50 -23.141 -12.508 -49.636 1.00 14.32 H new ATOM 0 HA ARG A 50 -24.940 -10.559 -48.611 1.00 54.21 H new ATOM 0 HB2 ARG A 50 -23.777 -12.944 -47.760 1.00 11.12 H new ATOM 0 HB3 ARG A 50 -23.005 -11.751 -46.734 1.00 11.12 H new ATOM 0 HG2 ARG A 50 -25.994 -12.211 -47.039 1.00 64.02 H new ATOM 0 HG3 ARG A 50 -25.010 -12.616 -45.646 1.00 64.02 H new ATOM 0 HD2 ARG A 50 -25.660 -10.594 -44.850 1.00 14.53 H new ATOM 0 HD3 ARG A 50 -24.420 -9.952 -45.909 1.00 14.53 H new ATOM 0 HE ARG A 50 -26.756 -10.207 -47.482 1.00 35.10 H new ATOM 0 HH11 ARG A 50 -25.644 -8.449 -44.631 1.00 0.44 H new ATOM 0 HH12 ARG A 50 -26.708 -7.070 -44.924 1.00 0.44 H new ATOM 0 HH21 ARG A 50 -28.119 -8.432 -47.853 1.00 15.11 H new ATOM 0 HH22 ARG A 50 -28.104 -7.060 -46.740 1.00 15.11 H new ATOM 487 N HIS A 51 -23.610 -8.632 -47.785 1.00 21.24 N ATOM 488 CA HIS A 51 -22.850 -7.432 -47.451 1.00 74.53 C ATOM 489 C HIS A 51 -22.663 -7.310 -45.942 1.00 53.31 C ATOM 490 O HIS A 51 -23.626 -7.395 -45.179 1.00 21.21 O ATOM 491 CB HIS A 51 -23.557 -6.189 -47.992 1.00 71.21 C ATOM 492 CG HIS A 51 -22.639 -5.235 -48.692 1.00 1.02 C ATOM 493 ND1 HIS A 51 -21.409 -4.867 -48.187 1.00 54.04 N ATOM 494 CD2 HIS A 51 -22.776 -4.574 -49.865 1.00 10.53 C ATOM 495 CE1 HIS A 51 -20.831 -4.019 -49.019 1.00 22.11 C ATOM 496 NE2 HIS A 51 -21.639 -3.825 -50.045 1.00 52.32 N ATOM 0 H HIS A 51 -24.621 -8.531 -47.690 1.00 21.24 H new ATOM 0 HA HIS A 51 -21.867 -7.513 -47.915 1.00 74.53 H new ATOM 0 HB2 HIS A 51 -24.341 -6.499 -48.683 1.00 71.21 H new ATOM 0 HB3 HIS A 51 -24.046 -5.671 -47.167 1.00 71.21 H new ATOM 0 HD1 HIS A 51 -21.009 -5.198 -47.309 1.00 54.04 H new ATOM 0 HD2 HIS A 51 -23.622 -4.626 -50.535 1.00 10.53 H new ATOM 0 HE1 HIS A 51 -19.862 -3.562 -48.883 1.00 22.11 H new ATOM 504 N ILE A 52 -21.420 -7.110 -45.519 1.00 43.12 N ATOM 505 CA ILE A 52 -21.108 -6.975 -44.102 1.00 24.32 C ATOM 506 C ILE A 52 -20.656 -5.557 -43.770 1.00 53.15 C ATOM 507 O ILE A 52 -19.988 -4.904 -44.572 1.00 63.10 O ATOM 508 CB ILE A 52 -20.009 -7.965 -43.671 1.00 34.33 C ATOM 509 CG1 ILE A 52 -20.483 -9.406 -43.873 1.00 60.11 C ATOM 510 CG2 ILE A 52 -19.623 -7.728 -42.219 1.00 22.15 C ATOM 511 CD1 ILE A 52 -19.850 -10.390 -42.915 1.00 21.52 C ATOM 0 H ILE A 52 -20.612 -7.038 -46.138 1.00 43.12 H new ATOM 0 HA ILE A 52 -22.024 -7.199 -43.555 1.00 24.32 H new ATOM 0 HB ILE A 52 -19.129 -7.801 -44.292 1.00 34.33 H new ATOM 0 HG12 ILE A 52 -21.566 -9.443 -43.756 1.00 60.11 H new ATOM 0 HG13 ILE A 52 -20.262 -9.713 -44.895 1.00 60.11 H new ATOM 0 HG21 ILE A 52 -18.846 -8.435 -41.929 1.00 22.15 H new ATOM 0 HG22 ILE A 52 -19.250 -6.711 -42.103 1.00 22.15 H new ATOM 0 HG23 ILE A 52 -20.497 -7.868 -41.583 1.00 22.15 H new ATOM 0 HD11 ILE A 52 -20.232 -11.391 -43.116 1.00 21.52 H new ATOM 0 HD12 ILE A 52 -18.768 -10.382 -43.047 1.00 21.52 H new ATOM 0 HD13 ILE A 52 -20.093 -10.108 -41.891 1.00 21.52 H new ATOM 523 N ASP A 53 -21.025 -5.087 -42.584 1.00 2.20 N ATOM 524 CA ASP A 53 -20.656 -3.746 -42.144 1.00 64.34 C ATOM 525 C ASP A 53 -19.470 -3.796 -41.186 1.00 64.02 C ATOM 526 O ASP A 53 -19.133 -4.853 -40.654 1.00 4.42 O ATOM 527 CB ASP A 53 -21.845 -3.062 -41.468 1.00 60.53 C ATOM 528 CG ASP A 53 -22.744 -4.046 -40.745 1.00 60.03 C ATOM 529 OD1 ASP A 53 -22.212 -4.983 -40.113 1.00 40.22 O ATOM 530 OD2 ASP A 53 -23.980 -3.879 -40.811 1.00 4.53 O ATOM 0 H ASP A 53 -21.579 -5.614 -41.910 1.00 2.20 H new ATOM 0 HA ASP A 53 -20.367 -3.169 -43.022 1.00 64.34 H new ATOM 0 HB2 ASP A 53 -21.479 -2.320 -40.759 1.00 60.53 H new ATOM 0 HB3 ASP A 53 -22.427 -2.526 -42.218 1.00 60.53 H new ATOM 535 N GLY A 54 -18.839 -2.645 -40.972 1.00 51.03 N ATOM 536 CA GLY A 54 -17.697 -2.580 -40.080 1.00 2.44 C ATOM 537 C GLY A 54 -18.041 -1.955 -38.742 1.00 73.20 C ATOM 538 O GLY A 54 -18.998 -1.187 -38.635 1.00 5.31 O ATOM 0 H GLY A 54 -19.099 -1.757 -41.401 1.00 51.03 H new ATOM 0 HA2 GLY A 54 -17.308 -3.585 -39.919 1.00 2.44 H new ATOM 0 HA3 GLY A 54 -16.902 -2.003 -40.553 1.00 2.44 H new ATOM 542 N CYS A 55 -17.262 -2.286 -37.718 1.00 61.30 N ATOM 543 CA CYS A 55 -17.490 -1.755 -36.380 1.00 1.13 C ATOM 544 C CYS A 55 -16.167 -1.444 -35.685 1.00 51.34 C ATOM 545 O CYS A 55 -15.117 -1.990 -36.023 1.00 23.23 O ATOM 546 CB CYS A 55 -18.296 -2.751 -35.543 1.00 44.13 C ATOM 547 SG CYS A 55 -19.980 -2.189 -35.137 1.00 11.23 S ATOM 0 H CYS A 55 -16.466 -2.920 -37.790 1.00 61.30 H new ATOM 0 HA CYS A 55 -18.057 -0.829 -36.476 1.00 1.13 H new ATOM 0 HB2 CYS A 55 -18.360 -3.695 -36.084 1.00 44.13 H new ATOM 0 HB3 CYS A 55 -17.758 -2.950 -34.616 1.00 44.13 H new ATOM 552 N PRO A 56 -16.218 -0.545 -34.691 1.00 41.55 N ATOM 553 CA PRO A 56 -15.033 -0.141 -33.928 1.00 55.41 C ATOM 554 C PRO A 56 -14.518 -1.256 -33.025 1.00 0.43 C ATOM 555 O PRO A 56 -15.118 -2.325 -32.915 1.00 24.35 O ATOM 556 CB PRO A 56 -15.536 1.037 -33.090 1.00 14.32 C ATOM 557 CG PRO A 56 -17.003 0.809 -32.957 1.00 43.34 C ATOM 558 CD PRO A 56 -17.436 0.147 -34.236 1.00 22.31 C ATOM 0 HA PRO A 56 -14.194 0.108 -34.578 1.00 55.41 H new ATOM 0 HB2 PRO A 56 -15.050 1.065 -32.115 1.00 14.32 H new ATOM 0 HB3 PRO A 56 -15.326 1.989 -33.579 1.00 14.32 H new ATOM 0 HG2 PRO A 56 -17.223 0.177 -32.096 1.00 43.34 H new ATOM 0 HG3 PRO A 56 -17.532 1.750 -32.806 1.00 43.34 H new ATOM 0 HD2 PRO A 56 -18.256 -0.551 -34.069 1.00 22.31 H new ATOM 0 HD3 PRO A 56 -17.782 0.876 -34.969 1.00 22.31 H new ATOM 566 N PRO A 57 -13.380 -1.003 -32.362 1.00 1.55 N ATOM 567 CA PRO A 57 -12.759 -1.973 -31.455 1.00 34.11 C ATOM 568 C PRO A 57 -13.572 -2.178 -30.181 1.00 4.43 C ATOM 569 O PRO A 57 -14.096 -1.224 -29.607 1.00 42.32 O ATOM 570 CB PRO A 57 -11.405 -1.339 -31.130 1.00 3.13 C ATOM 571 CG PRO A 57 -11.613 0.123 -31.328 1.00 34.22 C ATOM 572 CD PRO A 57 -12.612 0.251 -32.445 1.00 65.12 C ATOM 0 HA PRO A 57 -12.684 -2.963 -31.906 1.00 34.11 H new ATOM 0 HB2 PRO A 57 -11.100 -1.560 -30.107 1.00 3.13 H new ATOM 0 HB3 PRO A 57 -10.622 -1.720 -31.786 1.00 3.13 H new ATOM 0 HG2 PRO A 57 -11.984 0.591 -30.417 1.00 34.22 H new ATOM 0 HG3 PRO A 57 -10.677 0.620 -31.583 1.00 34.22 H new ATOM 0 HD2 PRO A 57 -13.252 1.123 -32.314 1.00 65.12 H new ATOM 0 HD3 PRO A 57 -12.121 0.358 -33.412 1.00 65.12 H new ATOM 580 N GLY A 58 -13.671 -3.429 -29.742 1.00 53.11 N ATOM 581 CA GLY A 58 -14.421 -3.735 -28.538 1.00 31.41 C ATOM 582 C GLY A 58 -15.844 -4.167 -28.835 1.00 4.33 C ATOM 583 O GLY A 58 -16.528 -4.712 -27.969 1.00 34.32 O ATOM 0 H GLY A 58 -13.245 -4.236 -30.199 1.00 53.11 H new ATOM 0 HA2 GLY A 58 -13.912 -4.526 -27.988 1.00 31.41 H new ATOM 0 HA3 GLY A 58 -14.438 -2.857 -27.892 1.00 31.41 H new ATOM 587 N CYS A 59 -16.291 -3.921 -30.062 1.00 0.14 N ATOM 588 CA CYS A 59 -17.642 -4.285 -30.471 1.00 21.33 C ATOM 589 C CYS A 59 -17.685 -4.633 -31.956 1.00 54.40 C ATOM 590 O CYS A 59 -16.973 -4.037 -32.765 1.00 64.53 O ATOM 591 CB CYS A 59 -18.613 -3.141 -30.175 1.00 11.32 C ATOM 592 SG CYS A 59 -18.345 -2.336 -28.563 1.00 22.04 S ATOM 0 H CYS A 59 -15.737 -3.471 -30.791 1.00 0.14 H new ATOM 0 HA CYS A 59 -17.943 -5.164 -29.901 1.00 21.33 H new ATOM 0 HB2 CYS A 59 -18.526 -2.392 -30.962 1.00 11.32 H new ATOM 0 HB3 CYS A 59 -19.632 -3.525 -30.212 1.00 11.32 H new ATOM 0 HG CYS A 59 -17.682 -3.137 -27.783 1.00 22.04 H new ATOM 597 N LEU A 60 -18.526 -5.599 -32.307 1.00 74.04 N ATOM 598 CA LEU A 60 -18.664 -6.026 -33.695 1.00 70.34 C ATOM 599 C LEU A 60 -20.129 -6.039 -34.119 1.00 14.34 C ATOM 600 O LEU A 60 -21.014 -6.359 -33.324 1.00 24.33 O ATOM 601 CB LEU A 60 -18.055 -7.417 -33.884 1.00 40.35 C ATOM 602 CG LEU A 60 -18.961 -8.599 -33.539 1.00 21.03 C ATOM 603 CD1 LEU A 60 -19.754 -9.039 -34.760 1.00 3.14 C ATOM 604 CD2 LEU A 60 -18.141 -9.756 -32.988 1.00 24.32 C ATOM 0 H LEU A 60 -19.123 -6.102 -31.650 1.00 74.04 H new ATOM 0 HA LEU A 60 -18.130 -5.313 -34.323 1.00 70.34 H new ATOM 0 HB2 LEU A 60 -17.742 -7.516 -34.923 1.00 40.35 H new ATOM 0 HB3 LEU A 60 -17.155 -7.484 -33.272 1.00 40.35 H new ATOM 0 HG LEU A 60 -19.665 -8.280 -32.770 1.00 21.03 H new ATOM 0 HD11 LEU A 60 -20.393 -9.881 -34.495 1.00 3.14 H new ATOM 0 HD12 LEU A 60 -20.371 -8.212 -35.111 1.00 3.14 H new ATOM 0 HD13 LEU A 60 -19.067 -9.340 -35.551 1.00 3.14 H new ATOM 0 HD21 LEU A 60 -18.802 -10.589 -32.748 1.00 24.32 H new ATOM 0 HD22 LEU A 60 -17.413 -10.074 -33.734 1.00 24.32 H new ATOM 0 HD23 LEU A 60 -17.619 -9.435 -32.086 1.00 24.32 H new ATOM 616 N CYS A 61 -20.380 -5.690 -35.376 1.00 43.30 N ATOM 617 CA CYS A 61 -21.737 -5.662 -35.907 1.00 33.13 C ATOM 618 C CYS A 61 -21.878 -6.615 -37.090 1.00 34.52 C ATOM 619 O CYS A 61 -21.257 -6.422 -38.135 1.00 24.24 O ATOM 620 CB CYS A 61 -22.111 -4.242 -36.335 1.00 10.41 C ATOM 621 SG CYS A 61 -23.574 -4.152 -37.417 1.00 2.21 S ATOM 0 H CYS A 61 -19.660 -5.422 -36.047 1.00 43.30 H new ATOM 0 HA CYS A 61 -22.415 -5.987 -35.118 1.00 33.13 H new ATOM 0 HB2 CYS A 61 -22.294 -3.642 -35.444 1.00 10.41 H new ATOM 0 HB3 CYS A 61 -21.262 -3.794 -36.852 1.00 10.41 H new ATOM 626 N VAL A 62 -22.701 -7.646 -36.918 1.00 1.51 N ATOM 627 CA VAL A 62 -22.925 -8.629 -37.971 1.00 14.41 C ATOM 628 C VAL A 62 -24.378 -8.618 -38.432 1.00 54.43 C ATOM 629 O VAL A 62 -25.291 -8.899 -37.654 1.00 63.10 O ATOM 630 CB VAL A 62 -22.558 -10.049 -37.501 1.00 14.35 C ATOM 631 CG1 VAL A 62 -23.286 -10.388 -36.208 1.00 42.04 C ATOM 632 CG2 VAL A 62 -22.877 -11.067 -38.585 1.00 24.45 C ATOM 0 H VAL A 62 -23.223 -7.821 -36.059 1.00 1.51 H new ATOM 0 HA VAL A 62 -22.280 -8.352 -38.805 1.00 14.41 H new ATOM 0 HB VAL A 62 -21.486 -10.084 -37.306 1.00 14.35 H new ATOM 0 HG11 VAL A 62 -23.015 -11.395 -35.891 1.00 42.04 H new ATOM 0 HG12 VAL A 62 -23.003 -9.675 -35.434 1.00 42.04 H new ATOM 0 HG13 VAL A 62 -24.362 -10.337 -36.372 1.00 42.04 H new ATOM 0 HG21 VAL A 62 -22.612 -12.065 -38.236 1.00 24.45 H new ATOM 0 HG22 VAL A 62 -23.942 -11.034 -38.813 1.00 24.45 H new ATOM 0 HG23 VAL A 62 -22.306 -10.833 -39.483 1.00 24.45 H new ATOM 642 N LEU A 63 -24.587 -8.291 -39.703 1.00 32.21 N ATOM 643 CA LEU A 63 -25.931 -8.244 -40.270 1.00 5.21 C ATOM 644 C LEU A 63 -26.070 -9.232 -41.424 1.00 2.24 C ATOM 645 O LEU A 63 -25.368 -9.131 -42.430 1.00 54.44 O ATOM 646 CB LEU A 63 -26.252 -6.829 -40.754 1.00 5.42 C ATOM 647 CG LEU A 63 -25.712 -6.453 -42.134 1.00 44.41 C ATOM 648 CD1 LEU A 63 -26.226 -5.084 -42.554 1.00 25.23 C ATOM 649 CD2 LEU A 63 -24.190 -6.477 -42.136 1.00 51.34 C ATOM 0 H LEU A 63 -23.844 -8.055 -40.360 1.00 32.21 H new ATOM 0 HA LEU A 63 -26.638 -8.524 -39.489 1.00 5.21 H new ATOM 0 HB2 LEU A 63 -27.335 -6.707 -40.764 1.00 5.42 H new ATOM 0 HB3 LEU A 63 -25.858 -6.120 -40.026 1.00 5.42 H new ATOM 0 HG LEU A 63 -26.068 -7.189 -42.855 1.00 44.41 H new ATOM 0 HD11 LEU A 63 -25.831 -4.833 -43.539 1.00 25.23 H new ATOM 0 HD12 LEU A 63 -27.315 -5.101 -42.593 1.00 25.23 H new ATOM 0 HD13 LEU A 63 -25.900 -4.336 -41.831 1.00 25.23 H new ATOM 0 HD21 LEU A 63 -23.823 -6.207 -43.126 1.00 51.34 H new ATOM 0 HD22 LEU A 63 -23.814 -5.764 -41.403 1.00 51.34 H new ATOM 0 HD23 LEU A 63 -23.842 -7.478 -41.881 1.00 51.34 H new ATOM 661 N LYS A 64 -26.981 -10.186 -41.271 1.00 74.53 N ATOM 662 CA LYS A 64 -27.217 -11.192 -42.301 1.00 4.40 C ATOM 663 C LYS A 64 -28.526 -10.923 -43.035 1.00 15.42 C ATOM 664 O LYS A 64 -29.582 -10.799 -42.415 1.00 73.34 O ATOM 665 CB LYS A 64 -27.245 -12.590 -41.680 1.00 74.23 C ATOM 666 CG LYS A 64 -28.173 -12.705 -40.483 1.00 72.42 C ATOM 667 CD LYS A 64 -27.406 -13.028 -39.212 1.00 61.31 C ATOM 668 CE LYS A 64 -28.138 -12.527 -37.977 1.00 2.14 C ATOM 669 NZ LYS A 64 -28.681 -13.648 -37.161 1.00 0.04 N1+ ATOM 0 H LYS A 64 -27.569 -10.284 -40.443 1.00 74.53 H new ATOM 0 HA LYS A 64 -26.400 -11.137 -43.021 1.00 4.40 H new ATOM 0 HB2 LYS A 64 -27.553 -13.309 -42.439 1.00 74.23 H new ATOM 0 HB3 LYS A 64 -26.235 -12.863 -41.374 1.00 74.23 H new ATOM 0 HG2 LYS A 64 -28.718 -11.770 -40.353 1.00 72.42 H new ATOM 0 HG3 LYS A 64 -28.914 -13.482 -40.669 1.00 72.42 H new ATOM 0 HD2 LYS A 64 -27.260 -14.106 -39.138 1.00 61.31 H new ATOM 0 HD3 LYS A 64 -26.416 -12.575 -39.258 1.00 61.31 H new ATOM 0 HE2 LYS A 64 -27.458 -11.931 -37.368 1.00 2.14 H new ATOM 0 HE3 LYS A 64 -28.953 -11.870 -38.280 1.00 2.14 H new ATOM 0 HZ1 LYS A 64 -29.173 -13.265 -36.328 1.00 0.04 H new ATOM 0 HZ2 LYS A 64 -29.350 -14.202 -37.733 1.00 0.04 H new ATOM 0 HZ3 LYS A 64 -27.900 -14.261 -36.850 1.00 0.04 H new ATOM 683 N GLY A 65 -28.450 -10.834 -44.359 1.00 54.14 N ATOM 684 CA GLY A 65 -29.637 -10.582 -45.155 1.00 53.44 C ATOM 685 C GLY A 65 -29.685 -11.430 -46.411 1.00 4.32 C ATOM 686 O GLY A 65 -28.871 -11.274 -47.322 1.00 20.33 O ATOM 0 H GLY A 65 -27.588 -10.932 -44.895 1.00 54.14 H new ATOM 0 HA2 GLY A 65 -30.523 -10.780 -44.552 1.00 53.44 H new ATOM 0 HA3 GLY A 65 -29.669 -9.528 -45.431 1.00 53.44 H new ATOM 690 N PRO A 66 -30.656 -12.353 -46.470 1.00 1.23 N ATOM 691 CA PRO A 66 -30.829 -13.248 -47.618 1.00 25.14 C ATOM 692 C PRO A 66 -31.319 -12.511 -48.859 1.00 51.10 C ATOM 693 O PRO A 66 -31.190 -11.291 -48.960 1.00 3.33 O ATOM 694 CB PRO A 66 -31.886 -14.244 -47.135 1.00 24.33 C ATOM 695 CG PRO A 66 -32.649 -13.509 -46.088 1.00 54.43 C ATOM 696 CD PRO A 66 -31.661 -12.593 -45.421 1.00 23.45 C ATOM 0 HA PRO A 66 -29.890 -13.714 -47.917 1.00 25.14 H new ATOM 0 HB2 PRO A 66 -32.536 -14.558 -47.951 1.00 24.33 H new ATOM 0 HB3 PRO A 66 -31.425 -15.145 -46.730 1.00 24.33 H new ATOM 0 HG2 PRO A 66 -33.470 -12.943 -46.529 1.00 54.43 H new ATOM 0 HG3 PRO A 66 -33.088 -14.200 -45.368 1.00 54.43 H new ATOM 0 HD2 PRO A 66 -32.130 -11.665 -45.094 1.00 23.45 H new ATOM 0 HD3 PRO A 66 -31.218 -13.054 -44.538 1.00 23.45 H new ATOM 704 N ASP A 67 -31.883 -13.259 -49.801 1.00 44.33 N ATOM 705 CA ASP A 67 -32.394 -12.675 -51.036 1.00 73.51 C ATOM 706 C ASP A 67 -33.363 -11.535 -50.738 1.00 24.10 C ATOM 707 O ASP A 67 -33.567 -10.648 -51.567 1.00 23.13 O ATOM 708 CB ASP A 67 -33.090 -13.744 -51.880 1.00 71.51 C ATOM 709 CG ASP A 67 -34.452 -14.120 -51.331 1.00 15.41 C ATOM 710 OD1 ASP A 67 -35.454 -13.942 -52.056 1.00 32.34 O ATOM 711 OD2 ASP A 67 -34.517 -14.591 -50.177 1.00 20.34 O ATOM 0 H ASP A 67 -31.998 -14.270 -49.733 1.00 44.33 H new ATOM 0 HA ASP A 67 -31.549 -12.273 -51.596 1.00 73.51 H new ATOM 0 HB2 ASP A 67 -33.201 -13.381 -52.902 1.00 71.51 H new ATOM 0 HB3 ASP A 67 -32.461 -14.633 -51.925 1.00 71.51 H new ATOM 716 N SER A 68 -33.957 -11.566 -49.550 1.00 12.24 N ATOM 717 CA SER A 68 -34.908 -10.537 -49.144 1.00 32.52 C ATOM 718 C SER A 68 -34.206 -9.418 -48.381 1.00 64.40 C ATOM 719 O SER A 68 -34.836 -8.666 -47.638 1.00 31.10 O ATOM 720 CB SER A 68 -36.011 -11.147 -48.276 1.00 53.24 C ATOM 721 OG SER A 68 -36.661 -12.211 -48.950 1.00 44.02 O ATOM 0 H SER A 68 -33.797 -12.292 -48.852 1.00 12.24 H new ATOM 0 HA SER A 68 -35.354 -10.114 -50.044 1.00 32.52 H new ATOM 0 HB2 SER A 68 -35.583 -11.511 -47.342 1.00 53.24 H new ATOM 0 HB3 SER A 68 -36.739 -10.379 -48.015 1.00 53.24 H new ATOM 0 HG SER A 68 -37.360 -12.585 -48.374 1.00 44.02 H new ATOM 727 N LYS A 69 -32.895 -9.315 -48.570 1.00 45.33 N ATOM 728 CA LYS A 69 -32.103 -8.288 -47.903 1.00 15.24 C ATOM 729 C LYS A 69 -32.751 -6.916 -48.058 1.00 11.53 C ATOM 730 O LYS A 69 -33.620 -6.721 -48.908 1.00 62.21 O ATOM 731 CB LYS A 69 -30.683 -8.260 -48.470 1.00 65.12 C ATOM 732 CG LYS A 69 -30.623 -8.474 -49.973 1.00 35.12 C ATOM 733 CD LYS A 69 -31.323 -7.354 -50.724 1.00 14.35 C ATOM 734 CE LYS A 69 -30.774 -5.991 -50.330 1.00 51.01 C ATOM 735 NZ LYS A 69 -31.375 -4.896 -51.141 1.00 2.33 N1+ ATOM 0 H LYS A 69 -32.358 -9.931 -49.180 1.00 45.33 H new ATOM 0 HA LYS A 69 -32.058 -8.532 -46.842 1.00 15.24 H new ATOM 0 HB2 LYS A 69 -30.224 -7.301 -48.229 1.00 65.12 H new ATOM 0 HB3 LYS A 69 -30.089 -9.030 -47.978 1.00 65.12 H new ATOM 0 HG2 LYS A 69 -29.582 -8.532 -50.292 1.00 35.12 H new ATOM 0 HG3 LYS A 69 -31.087 -9.428 -50.224 1.00 35.12 H new ATOM 0 HD2 LYS A 69 -31.199 -7.501 -51.797 1.00 14.35 H new ATOM 0 HD3 LYS A 69 -32.393 -7.390 -50.519 1.00 14.35 H new ATOM 0 HE2 LYS A 69 -30.972 -5.811 -49.273 1.00 51.01 H new ATOM 0 HE3 LYS A 69 -29.691 -5.985 -50.457 1.00 51.01 H new ATOM 0 HZ1 LYS A 69 -30.622 -4.273 -51.496 1.00 2.33 H new ATOM 0 HZ2 LYS A 69 -31.894 -5.304 -51.945 1.00 2.33 H new ATOM 0 HZ3 LYS A 69 -32.030 -4.345 -50.550 1.00 2.33 H new ATOM 749 N ASP A 70 -32.322 -5.967 -47.232 1.00 62.33 N ATOM 750 CA ASP A 70 -32.858 -4.612 -47.280 1.00 32.02 C ATOM 751 C ASP A 70 -31.815 -3.598 -46.819 1.00 34.40 C ATOM 752 O ASP A 70 -30.676 -3.956 -46.525 1.00 22.13 O ATOM 753 CB ASP A 70 -34.111 -4.506 -46.409 1.00 2.44 C ATOM 754 CG ASP A 70 -35.310 -5.191 -47.033 1.00 32.20 C ATOM 755 OD1 ASP A 70 -35.777 -4.723 -48.093 1.00 2.23 O ATOM 756 OD2 ASP A 70 -35.782 -6.197 -46.462 1.00 42.34 O ATOM 0 H ASP A 70 -31.605 -6.112 -46.521 1.00 62.33 H new ATOM 0 HA ASP A 70 -33.123 -4.389 -48.313 1.00 32.02 H new ATOM 0 HB2 ASP A 70 -33.910 -4.949 -45.434 1.00 2.44 H new ATOM 0 HB3 ASP A 70 -34.344 -3.455 -46.240 1.00 2.44 H new ATOM 761 N ASN A 71 -32.214 -2.332 -46.760 1.00 12.10 N ATOM 762 CA ASN A 71 -31.313 -1.266 -46.337 1.00 15.14 C ATOM 763 C ASN A 71 -31.274 -1.159 -44.815 1.00 62.52 C ATOM 764 O ASN A 71 -30.752 -0.190 -44.263 1.00 63.00 O ATOM 765 CB ASN A 71 -31.751 0.070 -46.941 1.00 62.23 C ATOM 766 CG ASN A 71 -31.577 0.107 -48.447 1.00 54.04 C ATOM 767 OD1 ASN A 71 -30.612 0.675 -48.958 1.00 62.44 O ATOM 768 ND2 ASN A 71 -32.515 -0.499 -49.166 1.00 33.41 N ATOM 0 H ASN A 71 -33.155 -2.019 -47.000 1.00 12.10 H new ATOM 0 HA ASN A 71 -30.312 -1.508 -46.693 1.00 15.14 H new ATOM 0 HB2 ASN A 71 -32.797 0.252 -46.694 1.00 62.23 H new ATOM 0 HB3 ASN A 71 -31.172 0.877 -46.491 1.00 62.23 H new ATOM 0 HD21 ASN A 71 -32.452 -0.506 -50.184 1.00 33.41 H new ATOM 0 HD22 ASN A 71 -33.298 -0.958 -48.700 1.00 33.41 H new ATOM 775 N LEU A 72 -31.828 -2.162 -44.143 1.00 31.20 N ATOM 776 CA LEU A 72 -31.856 -2.183 -42.685 1.00 1.35 C ATOM 777 C LEU A 72 -30.466 -1.928 -42.110 1.00 12.22 C ATOM 778 O LEU A 72 -29.461 -2.059 -42.808 1.00 70.04 O ATOM 779 CB LEU A 72 -32.389 -3.526 -42.184 1.00 21.22 C ATOM 780 CG LEU A 72 -33.908 -3.695 -42.204 1.00 35.13 C ATOM 781 CD1 LEU A 72 -34.293 -5.113 -41.811 1.00 72.14 C ATOM 782 CD2 LEU A 72 -34.569 -2.685 -41.277 1.00 35.43 C ATOM 0 H LEU A 72 -32.264 -2.971 -44.585 1.00 31.20 H new ATOM 0 HA LEU A 72 -32.520 -1.387 -42.348 1.00 1.35 H new ATOM 0 HB2 LEU A 72 -31.947 -4.318 -42.789 1.00 21.22 H new ATOM 0 HB3 LEU A 72 -32.041 -3.674 -41.162 1.00 21.22 H new ATOM 0 HG LEU A 72 -34.261 -3.513 -43.219 1.00 35.13 H new ATOM 0 HD11 LEU A 72 -35.378 -5.214 -41.831 1.00 72.14 H new ATOM 0 HD12 LEU A 72 -33.850 -5.818 -42.514 1.00 72.14 H new ATOM 0 HD13 LEU A 72 -33.927 -5.324 -40.806 1.00 72.14 H new ATOM 0 HD21 LEU A 72 -35.650 -2.820 -41.304 1.00 35.43 H new ATOM 0 HD22 LEU A 72 -34.210 -2.836 -40.259 1.00 35.43 H new ATOM 0 HD23 LEU A 72 -34.321 -1.675 -41.603 1.00 35.43 H new ATOM 794 N ASP A 73 -30.417 -1.565 -40.833 1.00 33.12 N ATOM 795 CA ASP A 73 -29.151 -1.295 -40.163 1.00 24.14 C ATOM 796 C ASP A 73 -28.811 -2.407 -39.174 1.00 40.44 C ATOM 797 O ASP A 73 -29.700 -3.023 -38.588 1.00 62.14 O ATOM 798 CB ASP A 73 -29.210 0.050 -39.436 1.00 61.51 C ATOM 799 CG ASP A 73 -29.131 1.226 -40.389 1.00 12.22 C ATOM 800 OD1 ASP A 73 -28.493 2.239 -40.030 1.00 74.44 O ATOM 801 OD2 ASP A 73 -29.707 1.134 -41.493 1.00 45.41 O ATOM 0 H ASP A 73 -31.240 -1.451 -40.241 1.00 33.12 H new ATOM 0 HA ASP A 73 -28.369 -1.255 -40.921 1.00 24.14 H new ATOM 0 HB2 ASP A 73 -30.136 0.111 -38.864 1.00 61.51 H new ATOM 0 HB3 ASP A 73 -28.390 0.110 -38.721 1.00 61.51 H new ATOM 806 N GLY A 74 -27.518 -2.658 -38.995 1.00 45.24 N ATOM 807 CA GLY A 74 -27.083 -3.696 -38.079 1.00 14.33 C ATOM 808 C GLY A 74 -26.886 -3.178 -36.668 1.00 0.31 C ATOM 809 O GLY A 74 -26.878 -1.968 -36.437 1.00 52.03 O ATOM 0 H GLY A 74 -26.764 -2.161 -39.468 1.00 45.24 H new ATOM 0 HA2 GLY A 74 -27.820 -4.499 -38.068 1.00 14.33 H new ATOM 0 HA3 GLY A 74 -26.148 -4.126 -38.439 1.00 14.33 H new ATOM 813 N THR A 75 -26.727 -4.095 -35.719 1.00 33.21 N ATOM 814 CA THR A 75 -26.532 -3.725 -34.323 1.00 31.01 C ATOM 815 C THR A 75 -25.105 -4.015 -33.872 1.00 12.04 C ATOM 816 O THR A 75 -24.373 -4.755 -34.529 1.00 74.43 O ATOM 817 CB THR A 75 -27.512 -4.474 -33.401 1.00 34.13 C ATOM 818 OG1 THR A 75 -28.686 -4.845 -34.132 1.00 34.22 O ATOM 819 CG2 THR A 75 -27.902 -3.611 -32.210 1.00 21.20 C ATOM 0 H THR A 75 -26.729 -5.100 -35.892 1.00 33.21 H new ATOM 0 HA THR A 75 -26.723 -2.654 -34.250 1.00 31.01 H new ATOM 0 HB THR A 75 -27.015 -5.371 -33.032 1.00 34.13 H new ATOM 0 HG1 THR A 75 -29.303 -5.322 -33.539 1.00 34.22 H new ATOM 0 HG21 THR A 75 -28.595 -4.161 -31.573 1.00 21.20 H new ATOM 0 HG22 THR A 75 -27.010 -3.354 -31.639 1.00 21.20 H new ATOM 0 HG23 THR A 75 -28.381 -2.698 -32.564 1.00 21.20 H new ATOM 827 N CYS A 76 -24.715 -3.428 -32.745 1.00 40.33 N ATOM 828 CA CYS A 76 -23.375 -3.623 -32.205 1.00 11.01 C ATOM 829 C CYS A 76 -23.437 -4.171 -30.782 1.00 41.10 C ATOM 830 O CYS A 76 -24.308 -3.794 -29.998 1.00 2.34 O ATOM 831 CB CYS A 76 -22.598 -2.305 -32.222 1.00 55.13 C ATOM 832 SG CYS A 76 -21.159 -2.305 -33.339 1.00 11.31 S ATOM 0 H CYS A 76 -25.309 -2.813 -32.188 1.00 40.33 H new ATOM 0 HA CYS A 76 -22.859 -4.349 -32.834 1.00 11.01 H new ATOM 0 HB2 CYS A 76 -23.273 -1.501 -32.516 1.00 55.13 H new ATOM 0 HB3 CYS A 76 -22.259 -2.082 -31.210 1.00 55.13 H new ATOM 837 N TYR A 77 -22.507 -5.062 -30.457 1.00 12.05 N ATOM 838 CA TYR A 77 -22.457 -5.664 -29.129 1.00 43.34 C ATOM 839 C TYR A 77 -21.058 -5.548 -28.532 1.00 23.42 C ATOM 840 O TYR A 77 -20.057 -5.623 -29.245 1.00 65.25 O ATOM 841 CB TYR A 77 -22.875 -7.133 -29.197 1.00 30.54 C ATOM 842 CG TYR A 77 -24.054 -7.386 -30.109 1.00 30.41 C ATOM 843 CD1 TYR A 77 -23.875 -7.558 -31.476 1.00 70.21 C ATOM 844 CD2 TYR A 77 -25.347 -7.452 -29.604 1.00 63.52 C ATOM 845 CE1 TYR A 77 -24.949 -7.789 -32.314 1.00 12.23 C ATOM 846 CE2 TYR A 77 -26.427 -7.684 -30.434 1.00 25.10 C ATOM 847 CZ TYR A 77 -26.223 -7.851 -31.788 1.00 22.42 C ATOM 848 OH TYR A 77 -27.296 -8.081 -32.618 1.00 10.10 O ATOM 0 H TYR A 77 -21.778 -5.383 -31.094 1.00 12.05 H new ATOM 0 HA TYR A 77 -23.153 -5.125 -28.486 1.00 43.34 H new ATOM 0 HB2 TYR A 77 -22.028 -7.728 -29.539 1.00 30.54 H new ATOM 0 HB3 TYR A 77 -23.122 -7.478 -28.193 1.00 30.54 H new ATOM 0 HD1 TYR A 77 -22.879 -7.510 -31.891 1.00 70.21 H new ATOM 0 HD2 TYR A 77 -25.510 -7.320 -28.545 1.00 63.52 H new ATOM 0 HE1 TYR A 77 -24.792 -7.920 -33.374 1.00 12.23 H new ATOM 0 HE2 TYR A 77 -27.425 -7.734 -30.025 1.00 25.10 H new ATOM 0 HH TYR A 77 -28.121 -8.096 -32.089 1.00 10.10 H new ATOM 858 N LEU A 78 -20.996 -5.366 -27.217 1.00 74.34 N ATOM 859 CA LEU A 78 -19.721 -5.241 -26.521 1.00 24.00 C ATOM 860 C LEU A 78 -19.059 -6.604 -26.347 1.00 32.41 C ATOM 861 O LEU A 78 -19.729 -7.601 -26.074 1.00 74.33 O ATOM 862 CB LEU A 78 -19.925 -4.582 -25.156 1.00 20.55 C ATOM 863 CG LEU A 78 -18.713 -4.581 -24.223 1.00 34.52 C ATOM 864 CD1 LEU A 78 -18.715 -3.338 -23.347 1.00 20.21 C ATOM 865 CD2 LEU A 78 -18.699 -5.839 -23.366 1.00 65.34 C ATOM 0 H LEU A 78 -21.815 -5.302 -26.612 1.00 74.34 H new ATOM 0 HA LEU A 78 -19.065 -4.614 -27.126 1.00 24.00 H new ATOM 0 HB2 LEU A 78 -20.236 -3.550 -25.316 1.00 20.55 H new ATOM 0 HB3 LEU A 78 -20.747 -5.088 -24.650 1.00 20.55 H new ATOM 0 HG LEU A 78 -17.809 -4.570 -24.832 1.00 34.52 H new ATOM 0 HD11 LEU A 78 -17.846 -3.355 -22.690 1.00 20.21 H new ATOM 0 HD12 LEU A 78 -18.677 -2.449 -23.977 1.00 20.21 H new ATOM 0 HD13 LEU A 78 -19.624 -3.318 -22.746 1.00 20.21 H new ATOM 0 HD21 LEU A 78 -17.830 -5.822 -22.708 1.00 65.34 H new ATOM 0 HD22 LEU A 78 -19.608 -5.880 -22.766 1.00 65.34 H new ATOM 0 HD23 LEU A 78 -18.649 -6.717 -24.010 1.00 65.34 H new ATOM 877 N LEU A 79 -17.741 -6.641 -26.504 1.00 4.32 N ATOM 878 CA LEU A 79 -16.987 -7.882 -26.362 1.00 11.34 C ATOM 879 C LEU A 79 -16.538 -8.084 -24.918 1.00 1.20 C ATOM 880 O LEU A 79 -16.012 -7.167 -24.287 1.00 74.20 O ATOM 881 CB LEU A 79 -15.771 -7.872 -27.289 1.00 60.25 C ATOM 882 CG LEU A 79 -15.888 -8.719 -28.558 1.00 5.35 C ATOM 883 CD1 LEU A 79 -16.029 -10.191 -28.205 1.00 72.31 C ATOM 884 CD2 LEU A 79 -17.065 -8.255 -29.402 1.00 54.20 C ATOM 0 H LEU A 79 -17.171 -5.826 -26.730 1.00 4.32 H new ATOM 0 HA LEU A 79 -17.641 -8.709 -26.639 1.00 11.34 H new ATOM 0 HB2 LEU A 79 -15.570 -6.841 -27.581 1.00 60.25 H new ATOM 0 HB3 LEU A 79 -14.905 -8.218 -26.724 1.00 60.25 H new ATOM 0 HG LEU A 79 -14.977 -8.593 -29.142 1.00 5.35 H new ATOM 0 HD11 LEU A 79 -16.111 -10.778 -29.120 1.00 72.31 H new ATOM 0 HD12 LEU A 79 -15.154 -10.516 -27.642 1.00 72.31 H new ATOM 0 HD13 LEU A 79 -16.924 -10.336 -27.599 1.00 72.31 H new ATOM 0 HD21 LEU A 79 -17.133 -8.869 -30.300 1.00 54.20 H new ATOM 0 HD22 LEU A 79 -17.986 -8.351 -28.827 1.00 54.20 H new ATOM 0 HD23 LEU A 79 -16.921 -7.212 -29.685 1.00 54.20 H new ATOM 896 N ALA A 80 -16.747 -9.291 -24.402 1.00 41.41 N ATOM 897 CA ALA A 80 -16.360 -9.614 -23.035 1.00 23.34 C ATOM 898 C ALA A 80 -14.851 -9.808 -22.922 1.00 53.24 C ATOM 899 O ALA A 80 -14.246 -9.479 -21.901 1.00 54.23 O ATOM 900 CB ALA A 80 -17.091 -10.862 -22.560 1.00 44.35 C ATOM 0 H ALA A 80 -17.182 -10.061 -24.910 1.00 41.41 H new ATOM 0 HA ALA A 80 -16.641 -8.776 -22.397 1.00 23.34 H new ATOM 0 HB1 ALA A 80 -16.792 -11.092 -21.537 1.00 44.35 H new ATOM 0 HB2 ALA A 80 -18.167 -10.689 -22.594 1.00 44.35 H new ATOM 0 HB3 ALA A 80 -16.838 -11.701 -23.209 1.00 44.35 H new ATOM 906 N THR A 81 -14.248 -10.345 -23.978 1.00 41.33 N ATOM 907 CA THR A 81 -12.810 -10.584 -23.997 1.00 54.15 C ATOM 908 C THR A 81 -12.039 -9.328 -23.610 1.00 3.31 C ATOM 909 O THR A 81 -12.181 -8.279 -24.240 1.00 63.33 O ATOM 910 CB THR A 81 -12.338 -11.055 -25.386 1.00 23.13 C ATOM 911 OG1 THR A 81 -13.260 -12.012 -25.919 1.00 14.42 O ATOM 912 CG2 THR A 81 -10.950 -11.673 -25.304 1.00 1.20 C ATOM 0 H THR A 81 -14.733 -10.623 -24.831 1.00 41.33 H new ATOM 0 HA THR A 81 -12.610 -11.369 -23.267 1.00 54.15 H new ATOM 0 HB THR A 81 -12.295 -10.187 -26.044 1.00 23.13 H new ATOM 0 HG1 THR A 81 -12.953 -12.305 -26.803 1.00 14.42 H new ATOM 0 HG21 THR A 81 -10.637 -11.998 -26.296 1.00 1.20 H new ATOM 0 HG22 THR A 81 -10.244 -10.934 -24.925 1.00 1.20 H new ATOM 0 HG23 THR A 81 -10.973 -12.530 -24.631 1.00 1.20 H new ATOM 920 N THR A 82 -11.220 -9.439 -22.568 1.00 61.34 N ATOM 921 CA THR A 82 -10.426 -8.312 -22.096 1.00 63.24 C ATOM 922 C THR A 82 -9.150 -8.157 -22.916 1.00 24.33 C ATOM 923 O THR A 82 -8.530 -9.135 -23.335 1.00 22.11 O ATOM 924 CB THR A 82 -10.052 -8.471 -20.611 1.00 31.35 C ATOM 925 OG1 THR A 82 -9.923 -9.859 -20.284 1.00 23.41 O ATOM 926 CG2 THR A 82 -11.103 -7.831 -19.717 1.00 11.43 C ATOM 0 H THR A 82 -11.090 -10.299 -22.035 1.00 61.34 H new ATOM 0 HA THR A 82 -11.042 -7.420 -22.214 1.00 63.24 H new ATOM 0 HB THR A 82 -9.099 -7.968 -20.444 1.00 31.35 H new ATOM 0 HG1 THR A 82 -9.683 -9.951 -19.338 1.00 23.41 H new ATOM 0 HG21 THR A 82 -10.817 -7.956 -18.673 1.00 11.43 H new ATOM 0 HG22 THR A 82 -11.179 -6.768 -19.948 1.00 11.43 H new ATOM 0 HG23 THR A 82 -12.067 -8.309 -19.889 1.00 11.43 H new ATOM 934 N PRO A 83 -8.745 -6.900 -23.150 1.00 60.24 N ATOM 935 CA PRO A 83 -7.537 -6.588 -23.921 1.00 15.04 C ATOM 936 C PRO A 83 -6.261 -6.964 -23.176 1.00 12.24 C ATOM 937 O PRO A 83 -6.309 -7.601 -22.123 1.00 61.22 O ATOM 938 CB PRO A 83 -7.619 -5.071 -24.109 1.00 75.24 C ATOM 939 CG PRO A 83 -8.445 -4.591 -22.966 1.00 30.20 C ATOM 940 CD PRO A 83 -9.435 -5.687 -22.681 1.00 41.22 C ATOM 0 HA PRO A 83 -7.495 -7.146 -24.856 1.00 15.04 H new ATOM 0 HB2 PRO A 83 -6.628 -4.617 -24.099 1.00 75.24 H new ATOM 0 HB3 PRO A 83 -8.078 -4.815 -25.064 1.00 75.24 H new ATOM 0 HG2 PRO A 83 -7.824 -4.390 -22.093 1.00 30.20 H new ATOM 0 HG3 PRO A 83 -8.954 -3.660 -23.216 1.00 30.20 H new ATOM 0 HD2 PRO A 83 -9.675 -5.746 -21.619 1.00 41.22 H new ATOM 0 HD3 PRO A 83 -10.374 -5.528 -23.211 1.00 41.22 H new ATOM 948 N LYS A 84 -5.120 -6.565 -23.727 1.00 53.13 N ATOM 949 CA LYS A 84 -3.830 -6.858 -23.115 1.00 0.13 C ATOM 950 C LYS A 84 -3.209 -5.596 -22.525 1.00 3.13 C ATOM 951 O LYS A 84 -2.013 -5.559 -22.233 1.00 34.10 O ATOM 952 CB LYS A 84 -2.881 -7.473 -24.146 1.00 4.54 C ATOM 953 CG LYS A 84 -3.100 -8.960 -24.364 1.00 10.50 C ATOM 954 CD LYS A 84 -1.927 -9.595 -25.092 1.00 34.33 C ATOM 955 CE LYS A 84 -1.760 -9.018 -26.489 1.00 64.40 C ATOM 956 NZ LYS A 84 -0.611 -9.635 -27.209 1.00 52.33 N1+ ATOM 0 H LYS A 84 -5.063 -6.037 -24.598 1.00 53.13 H new ATOM 0 HA LYS A 84 -3.992 -7.573 -22.308 1.00 0.13 H new ATOM 0 HB2 LYS A 84 -3.004 -6.953 -25.096 1.00 4.54 H new ATOM 0 HB3 LYS A 84 -1.853 -7.309 -23.824 1.00 4.54 H new ATOM 0 HG2 LYS A 84 -3.242 -9.453 -23.402 1.00 10.50 H new ATOM 0 HG3 LYS A 84 -4.013 -9.114 -24.939 1.00 10.50 H new ATOM 0 HD2 LYS A 84 -1.013 -9.436 -24.520 1.00 34.33 H new ATOM 0 HD3 LYS A 84 -2.078 -10.672 -25.158 1.00 34.33 H new ATOM 0 HE2 LYS A 84 -2.675 -9.178 -27.060 1.00 64.40 H new ATOM 0 HE3 LYS A 84 -1.610 -7.940 -26.422 1.00 64.40 H new ATOM 0 HZ1 LYS A 84 -0.530 -9.216 -28.157 1.00 52.33 H new ATOM 0 HZ2 LYS A 84 0.266 -9.461 -26.677 1.00 52.33 H new ATOM 0 HZ3 LYS A 84 -0.766 -10.660 -27.296 1.00 52.33 H new ATOM 970 N SER A 85 -4.028 -4.564 -22.350 1.00 53.05 N ATOM 971 CA SER A 85 -3.558 -3.299 -21.797 1.00 71.42 C ATOM 972 C SER A 85 -3.418 -3.389 -20.281 1.00 0.44 C ATOM 973 O SER A 85 -4.329 -3.840 -19.586 1.00 20.41 O ATOM 974 CB SER A 85 -4.520 -2.168 -22.166 1.00 63.12 C ATOM 975 OG SER A 85 -4.515 -1.152 -21.178 1.00 75.40 O ATOM 0 H SER A 85 -5.021 -4.579 -22.583 1.00 53.05 H new ATOM 0 HA SER A 85 -2.578 -3.085 -22.223 1.00 71.42 H new ATOM 0 HB2 SER A 85 -4.236 -1.744 -23.129 1.00 63.12 H new ATOM 0 HB3 SER A 85 -5.529 -2.566 -22.278 1.00 63.12 H new ATOM 0 HG SER A 85 -5.137 -0.440 -21.438 1.00 75.40 H new ATOM 981 N THR A 86 -2.269 -2.954 -19.772 1.00 61.12 N ATOM 982 CA THR A 86 -2.007 -2.985 -18.339 1.00 31.32 C ATOM 983 C THR A 86 -2.332 -1.644 -17.691 1.00 43.03 C ATOM 984 O THR A 86 -2.674 -1.579 -16.510 1.00 72.11 O ATOM 985 CB THR A 86 -0.538 -3.343 -18.044 1.00 11.22 C ATOM 986 OG1 THR A 86 -0.030 -4.208 -19.065 1.00 61.31 O ATOM 987 CG2 THR A 86 -0.408 -4.019 -16.687 1.00 62.45 C ATOM 0 H THR A 86 -1.505 -2.576 -20.332 1.00 61.12 H new ATOM 0 HA THR A 86 -2.653 -3.755 -17.916 1.00 31.32 H new ATOM 0 HB THR A 86 0.042 -2.420 -18.029 1.00 11.22 H new ATOM 0 HG1 THR A 86 0.905 -4.429 -18.871 1.00 61.31 H new ATOM 0 HG21 THR A 86 0.638 -4.263 -16.501 1.00 62.45 H new ATOM 0 HG22 THR A 86 -0.768 -3.346 -15.909 1.00 62.45 H new ATOM 0 HG23 THR A 86 -1.001 -4.934 -16.678 1.00 62.45 H new ATOM 995 N THR A 87 -2.223 -0.573 -18.472 1.00 23.31 N ATOM 996 CA THR A 87 -2.504 0.767 -17.974 1.00 52.22 C ATOM 997 C THR A 87 -4.005 1.010 -17.866 1.00 33.51 C ATOM 998 O THR A 87 -4.746 0.826 -18.832 1.00 73.23 O ATOM 999 CB THR A 87 -1.886 1.846 -18.884 1.00 70.40 C ATOM 1000 OG1 THR A 87 -0.566 1.456 -19.279 1.00 21.43 O ATOM 1001 CG2 THR A 87 -1.832 3.189 -18.172 1.00 21.44 C ATOM 0 H THR A 87 -1.942 -0.608 -19.452 1.00 23.31 H new ATOM 0 HA THR A 87 -2.055 0.836 -16.983 1.00 52.22 H new ATOM 0 HB THR A 87 -2.515 1.947 -19.769 1.00 70.40 H new ATOM 0 HG1 THR A 87 -0.181 2.146 -19.858 1.00 21.43 H new ATOM 0 HG21 THR A 87 -1.392 3.935 -18.834 1.00 21.44 H new ATOM 0 HG22 THR A 87 -2.841 3.497 -17.899 1.00 21.44 H new ATOM 0 HG23 THR A 87 -1.224 3.099 -17.272 1.00 21.44 H new ATOM 1009 N THR A 88 -4.450 1.424 -16.683 1.00 45.13 N ATOM 1010 CA THR A 88 -5.863 1.691 -16.449 1.00 2.34 C ATOM 1011 C THR A 88 -6.396 2.730 -17.429 1.00 33.51 C ATOM 1012 O THR A 88 -6.696 3.862 -17.048 1.00 71.52 O ATOM 1013 CB THR A 88 -6.110 2.185 -15.011 1.00 21.04 C ATOM 1014 OG1 THR A 88 -5.501 1.290 -14.074 1.00 21.43 O ATOM 1015 CG2 THR A 88 -7.600 2.291 -14.723 1.00 70.14 C ATOM 0 H THR A 88 -3.851 1.581 -15.872 1.00 45.13 H new ATOM 0 HA THR A 88 -6.392 0.750 -16.598 1.00 2.34 H new ATOM 0 HB THR A 88 -5.665 3.175 -14.910 1.00 21.04 H new ATOM 0 HG1 THR A 88 -5.661 1.612 -13.162 1.00 21.43 H new ATOM 0 HG21 THR A 88 -7.749 2.642 -13.702 1.00 70.14 H new ATOM 0 HG22 THR A 88 -8.056 2.995 -15.419 1.00 70.14 H new ATOM 0 HG23 THR A 88 -8.064 1.312 -14.842 1.00 70.14 H new TER 1023 THR A 88