USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 793 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 63 GLN : amide:sc= 1.03 K(o=2,f=-1.7) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.232 K(o=2,f=-2.4) USER MOD Set 1.3: A 70 GLN :FLIP amide:sc= -0.189 F(o=1.1,f=2) USER MOD Set 1.4: A 84 LYS NZ :NH3+ 179:sc= 0.918 (180deg=0) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0.472 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -170:sc= 0.51 (180deg=0.00102) USER MOD Set 3.1: A 35 THR OG1 : rot 116:sc= 0.124 USER MOD Set 3.2: A 59 ASN : amide:sc= 0.123 K(o=0.25,f=-0.89) USER MOD Set 4.1: A 26 TYR OH : rot 120:sc= -0.31 USER MOD Set 4.2: A 100 LYS NZ :NH3+ -171:sc= -0.253 (180deg=-0.121) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -74:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.246 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 68:sc= 0.266 USER MOD Single : A 19 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.063) USER MOD Single : A 25 ASN : amide:sc= 0.523 K(o=0.52,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.125 USER MOD Single : A 37 SER OG : rot -135:sc= 0.395 USER MOD Single : A 38 GLN : amide:sc= -0.415 K(o=-0.42,f=-2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 1:sc= 0.959 USER MOD Single : A 47 MET CE :methyl -155:sc= -0.0107 (180deg=-0.65) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.648 (180deg=0.466) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0898 K(o=-0.09,f=-2.4!) USER MOD Single : A 71 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 0.698 (180deg=0.365) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0134 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 43:sc= 0.193 USER MOD Single : A 92 THR OG1 : rot 95:sc= 0.946 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0571 F(o=-1,f=-0.057) USER MOD Single : A 101 THR OG1 : rot -77:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.175 2.007 12.354 1.00 60.43 N ATOM 21 CA GLY A 2 4.641 2.742 11.173 1.00 43.21 C ATOM 22 C GLY A 2 3.495 3.309 10.344 1.00 24.24 C ATOM 23 O GLY A 2 2.316 3.177 10.716 1.00 4.32 O ATOM 0 HA2 GLY A 2 5.292 3.556 11.490 1.00 43.21 H new ATOM 0 HA3 GLY A 2 5.241 2.078 10.550 1.00 43.21 H new ATOM 27 N LYS A 3 3.829 3.923 9.198 1.00 45.15 N ATOM 28 CA LYS A 3 2.834 4.569 8.327 1.00 31.34 C ATOM 29 C LYS A 3 2.844 3.907 6.946 1.00 22.41 C ATOM 30 O LYS A 3 3.899 3.705 6.372 1.00 52.43 O ATOM 31 CB LYS A 3 3.122 6.091 8.232 1.00 21.05 C ATOM 32 CG LYS A 3 1.969 6.901 7.608 1.00 51.11 C ATOM 33 CD LYS A 3 2.221 8.426 7.630 1.00 32.12 C ATOM 34 CE LYS A 3 0.976 9.219 7.225 1.00 54.15 C ATOM 35 NZ LYS A 3 1.239 10.676 7.064 1.00 3.11 N ATOM 0 H LYS A 3 4.786 3.986 8.851 1.00 45.15 H new ATOM 0 HA LYS A 3 1.838 4.443 8.753 1.00 31.34 H new ATOM 0 HB2 LYS A 3 3.326 6.476 9.231 1.00 21.05 H new ATOM 0 HB3 LYS A 3 4.024 6.245 7.640 1.00 21.05 H new ATOM 0 HG2 LYS A 3 1.821 6.578 6.578 1.00 51.11 H new ATOM 0 HG3 LYS A 3 1.046 6.683 8.146 1.00 51.11 H new ATOM 0 HD2 LYS A 3 2.533 8.727 8.630 1.00 32.12 H new ATOM 0 HD3 LYS A 3 3.041 8.668 6.953 1.00 32.12 H new ATOM 0 HE2 LYS A 3 0.587 8.820 6.288 1.00 54.15 H new ATOM 0 HE3 LYS A 3 0.201 9.077 7.978 1.00 54.15 H new ATOM 0 HZ1 LYS A 3 0.360 11.159 6.790 1.00 3.11 H new ATOM 0 HZ2 LYS A 3 1.583 11.068 7.964 1.00 3.11 H new ATOM 0 HZ3 LYS A 3 1.958 10.820 6.326 1.00 3.11 H new ATOM 49 N VAL A 4 1.660 3.555 6.430 1.00 1.24 N ATOM 50 CA VAL A 4 1.511 2.872 5.130 1.00 44.00 C ATOM 51 C VAL A 4 1.034 3.864 4.046 1.00 13.32 C ATOM 52 O VAL A 4 0.336 4.826 4.346 1.00 70.11 O ATOM 53 CB VAL A 4 0.478 1.684 5.244 1.00 4.33 C ATOM 54 CG1 VAL A 4 0.343 0.923 3.909 1.00 62.55 C ATOM 55 CG2 VAL A 4 0.844 0.717 6.398 1.00 43.33 C ATOM 0 H VAL A 4 0.773 3.734 6.900 1.00 1.24 H new ATOM 0 HA VAL A 4 2.485 2.474 4.846 1.00 44.00 H new ATOM 0 HB VAL A 4 -0.492 2.124 5.477 1.00 4.33 H new ATOM 0 HG11 VAL A 4 -0.376 0.112 4.024 1.00 62.55 H new ATOM 0 HG12 VAL A 4 -0.002 1.607 3.134 1.00 62.55 H new ATOM 0 HG13 VAL A 4 1.312 0.512 3.625 1.00 62.55 H new ATOM 0 HG21 VAL A 4 0.110 -0.088 6.445 1.00 43.33 H new ATOM 0 HG22 VAL A 4 1.833 0.296 6.220 1.00 43.33 H new ATOM 0 HG23 VAL A 4 0.846 1.262 7.342 1.00 43.33 H new ATOM 65 N LEU A 5 1.455 3.640 2.791 1.00 21.43 N ATOM 66 CA LEU A 5 0.853 4.276 1.614 1.00 74.32 C ATOM 67 C LEU A 5 0.016 3.221 0.875 1.00 14.52 C ATOM 68 O LEU A 5 0.559 2.290 0.274 1.00 52.34 O ATOM 69 CB LEU A 5 1.935 4.876 0.682 1.00 22.14 C ATOM 70 CG LEU A 5 1.398 5.568 -0.614 1.00 13.33 C ATOM 71 CD1 LEU A 5 0.401 6.699 -0.286 1.00 55.10 C ATOM 72 CD2 LEU A 5 2.557 6.075 -1.496 1.00 3.20 C ATOM 0 H LEU A 5 2.225 3.010 2.566 1.00 21.43 H new ATOM 0 HA LEU A 5 0.217 5.103 1.930 1.00 74.32 H new ATOM 0 HB2 LEU A 5 2.514 5.605 1.249 1.00 22.14 H new ATOM 0 HB3 LEU A 5 2.621 4.080 0.391 1.00 22.14 H new ATOM 0 HG LEU A 5 0.853 4.816 -1.184 1.00 13.33 H new ATOM 0 HD11 LEU A 5 0.051 7.155 -1.212 1.00 55.10 H new ATOM 0 HD12 LEU A 5 -0.448 6.288 0.260 1.00 55.10 H new ATOM 0 HD13 LEU A 5 0.895 7.454 0.326 1.00 55.10 H new ATOM 0 HD21 LEU A 5 2.153 6.551 -2.389 1.00 3.20 H new ATOM 0 HD22 LEU A 5 3.151 6.798 -0.936 1.00 3.20 H new ATOM 0 HD23 LEU A 5 3.188 5.235 -1.786 1.00 3.20 H new ATOM 84 N LEU A 6 -1.301 3.365 0.952 1.00 43.32 N ATOM 85 CA LEU A 6 -2.259 2.420 0.378 1.00 71.12 C ATOM 86 C LEU A 6 -2.521 2.810 -1.092 1.00 32.21 C ATOM 87 O LEU A 6 -3.322 3.709 -1.364 1.00 41.11 O ATOM 88 CB LEU A 6 -3.558 2.462 1.235 1.00 0.45 C ATOM 89 CG LEU A 6 -4.642 1.384 0.936 1.00 61.34 C ATOM 90 CD1 LEU A 6 -4.142 -0.034 1.280 1.00 40.25 C ATOM 91 CD2 LEU A 6 -5.955 1.717 1.677 1.00 34.03 C ATOM 0 H LEU A 6 -1.744 4.154 1.422 1.00 43.32 H new ATOM 0 HA LEU A 6 -1.874 1.400 0.389 1.00 71.12 H new ATOM 0 HB2 LEU A 6 -3.274 2.374 2.284 1.00 0.45 H new ATOM 0 HB3 LEU A 6 -4.014 3.444 1.110 1.00 0.45 H new ATOM 0 HG LEU A 6 -4.845 1.398 -0.135 1.00 61.34 H new ATOM 0 HD11 LEU A 6 -4.925 -0.760 1.058 1.00 40.25 H new ATOM 0 HD12 LEU A 6 -3.257 -0.262 0.686 1.00 40.25 H new ATOM 0 HD13 LEU A 6 -3.890 -0.084 2.339 1.00 40.25 H new ATOM 0 HD21 LEU A 6 -6.701 0.953 1.457 1.00 34.03 H new ATOM 0 HD22 LEU A 6 -5.770 1.744 2.751 1.00 34.03 H new ATOM 0 HD23 LEU A 6 -6.322 2.689 1.347 1.00 34.03 H new ATOM 103 N VAL A 7 -1.811 2.155 -2.029 1.00 31.05 N ATOM 104 CA VAL A 7 -1.854 2.498 -3.464 1.00 42.33 C ATOM 105 C VAL A 7 -2.998 1.728 -4.148 1.00 73.20 C ATOM 106 O VAL A 7 -2.938 0.501 -4.316 1.00 3.42 O ATOM 107 CB VAL A 7 -0.476 2.188 -4.176 1.00 15.03 C ATOM 108 CG1 VAL A 7 -0.508 2.545 -5.688 1.00 4.51 C ATOM 109 CG2 VAL A 7 0.684 2.916 -3.462 1.00 41.44 C ATOM 0 H VAL A 7 -1.192 1.374 -1.814 1.00 31.05 H new ATOM 0 HA VAL A 7 -2.035 3.569 -3.554 1.00 42.33 H new ATOM 0 HB VAL A 7 -0.307 1.114 -4.103 1.00 15.03 H new ATOM 0 HG11 VAL A 7 0.459 2.316 -6.136 1.00 4.51 H new ATOM 0 HG12 VAL A 7 -1.285 1.962 -6.183 1.00 4.51 H new ATOM 0 HG13 VAL A 7 -0.720 3.608 -5.807 1.00 4.51 H new ATOM 0 HG21 VAL A 7 1.622 2.689 -3.968 1.00 41.44 H new ATOM 0 HG22 VAL A 7 0.509 3.992 -3.487 1.00 41.44 H new ATOM 0 HG23 VAL A 7 0.740 2.582 -2.426 1.00 41.44 H new ATOM 119 N ILE A 8 -4.056 2.476 -4.488 1.00 41.13 N ATOM 120 CA ILE A 8 -5.275 1.969 -5.137 1.00 54.22 C ATOM 121 C ILE A 8 -5.422 2.641 -6.519 1.00 51.32 C ATOM 122 O ILE A 8 -5.096 3.827 -6.687 1.00 24.02 O ATOM 123 CB ILE A 8 -6.556 2.283 -4.257 1.00 34.02 C ATOM 124 CG1 ILE A 8 -6.338 1.842 -2.774 1.00 63.15 C ATOM 125 CG2 ILE A 8 -7.840 1.633 -4.847 1.00 54.53 C ATOM 126 CD1 ILE A 8 -7.468 2.194 -1.822 1.00 32.41 C ATOM 0 H ILE A 8 -4.090 3.481 -4.314 1.00 41.13 H new ATOM 0 HA ILE A 8 -5.193 0.888 -5.249 1.00 54.22 H new ATOM 0 HB ILE A 8 -6.703 3.363 -4.275 1.00 34.02 H new ATOM 0 HG12 ILE A 8 -6.188 0.763 -2.751 1.00 63.15 H new ATOM 0 HG13 ILE A 8 -5.419 2.299 -2.407 1.00 63.15 H new ATOM 0 HG21 ILE A 8 -8.694 1.873 -4.213 1.00 54.53 H new ATOM 0 HG22 ILE A 8 -8.014 2.018 -5.852 1.00 54.53 H new ATOM 0 HG23 ILE A 8 -7.713 0.551 -4.890 1.00 54.53 H new ATOM 0 HD11 ILE A 8 -7.221 1.846 -0.819 1.00 32.41 H new ATOM 0 HD12 ILE A 8 -7.607 3.275 -1.807 1.00 32.41 H new ATOM 0 HD13 ILE A 8 -8.388 1.714 -2.156 1.00 32.41 H new ATOM 138 N SER A 9 -5.909 1.871 -7.494 1.00 51.45 N ATOM 139 CA SER A 9 -6.223 2.346 -8.847 1.00 4.53 C ATOM 140 C SER A 9 -7.389 1.505 -9.389 1.00 52.23 C ATOM 141 O SER A 9 -7.592 0.362 -8.949 1.00 71.11 O ATOM 142 CB SER A 9 -4.998 2.203 -9.793 1.00 23.15 C ATOM 143 OG SER A 9 -3.815 2.761 -9.245 1.00 20.10 O ATOM 0 H SER A 9 -6.101 0.878 -7.364 1.00 51.45 H new ATOM 0 HA SER A 9 -6.490 3.402 -8.803 1.00 4.53 H new ATOM 0 HB2 SER A 9 -4.831 1.147 -10.008 1.00 23.15 H new ATOM 0 HB3 SER A 9 -5.219 2.690 -10.743 1.00 23.15 H new ATOM 0 HG SER A 9 -3.867 3.739 -9.281 1.00 20.10 H new ATOM 149 N THR A 10 -8.146 2.066 -10.340 1.00 52.40 N ATOM 150 CA THR A 10 -9.201 1.328 -11.060 1.00 74.41 C ATOM 151 C THR A 10 -8.580 0.454 -12.179 1.00 54.14 C ATOM 152 O THR A 10 -9.268 -0.355 -12.808 1.00 72.05 O ATOM 153 CB THR A 10 -10.291 2.311 -11.621 1.00 15.23 C ATOM 154 OG1 THR A 10 -11.340 1.589 -12.294 1.00 23.20 O ATOM 155 CG2 THR A 10 -9.700 3.369 -12.572 1.00 32.45 C ATOM 0 H THR A 10 -8.049 3.038 -10.634 1.00 52.40 H new ATOM 0 HA THR A 10 -9.702 0.661 -10.359 1.00 74.41 H new ATOM 0 HB THR A 10 -10.705 2.833 -10.758 1.00 15.23 H new ATOM 0 HG1 THR A 10 -10.970 0.777 -12.699 1.00 23.20 H new ATOM 0 HG21 THR A 10 -10.496 4.022 -12.930 1.00 32.45 H new ATOM 0 HG22 THR A 10 -8.957 3.962 -12.039 1.00 32.45 H new ATOM 0 HG23 THR A 10 -9.228 2.873 -13.420 1.00 32.45 H new ATOM 163 N ASP A 11 -7.258 0.620 -12.395 1.00 41.01 N ATOM 164 CA ASP A 11 -6.462 -0.189 -13.327 1.00 65.30 C ATOM 165 C ASP A 11 -5.329 -0.887 -12.549 1.00 2.11 C ATOM 166 O ASP A 11 -4.272 -0.290 -12.292 1.00 24.51 O ATOM 167 CB ASP A 11 -5.883 0.689 -14.472 1.00 61.20 C ATOM 168 CG ASP A 11 -6.952 1.217 -15.448 1.00 20.55 C ATOM 169 OD1 ASP A 11 -7.596 2.246 -15.142 1.00 55.51 O ATOM 170 OD2 ASP A 11 -7.153 0.608 -16.531 1.00 10.22 O ATOM 0 H ASP A 11 -6.709 1.334 -11.916 1.00 41.01 H new ATOM 0 HA ASP A 11 -7.104 -0.942 -13.785 1.00 65.30 H new ATOM 0 HB2 ASP A 11 -5.352 1.535 -14.036 1.00 61.20 H new ATOM 0 HB3 ASP A 11 -5.150 0.106 -15.030 1.00 61.20 H new ATOM 175 N THR A 12 -5.564 -2.156 -12.173 1.00 55.53 N ATOM 176 CA THR A 12 -4.588 -2.981 -11.435 1.00 14.25 C ATOM 177 C THR A 12 -3.391 -3.380 -12.345 1.00 54.03 C ATOM 178 O THR A 12 -2.347 -3.821 -11.851 1.00 72.22 O ATOM 179 CB THR A 12 -5.297 -4.234 -10.805 1.00 4.13 C ATOM 180 OG1 THR A 12 -6.448 -3.797 -10.054 1.00 3.44 O ATOM 181 CG2 THR A 12 -4.381 -5.024 -9.853 1.00 34.12 C ATOM 0 H THR A 12 -6.439 -2.641 -12.372 1.00 55.53 H new ATOM 0 HA THR A 12 -4.178 -2.389 -10.617 1.00 14.25 H new ATOM 0 HB THR A 12 -5.574 -4.890 -11.630 1.00 4.13 H new ATOM 0 HG1 THR A 12 -6.896 -4.574 -9.660 1.00 3.44 H new ATOM 0 HG21 THR A 12 -4.926 -5.877 -9.449 1.00 34.12 H new ATOM 0 HG22 THR A 12 -3.506 -5.377 -10.399 1.00 34.12 H new ATOM 0 HG23 THR A 12 -4.062 -4.378 -9.036 1.00 34.12 H new ATOM 189 N ASN A 13 -3.550 -3.182 -13.674 1.00 72.14 N ATOM 190 CA ASN A 13 -2.444 -3.257 -14.663 1.00 43.05 C ATOM 191 C ASN A 13 -1.325 -2.265 -14.287 1.00 52.35 C ATOM 192 O ASN A 13 -0.134 -2.581 -14.350 1.00 45.35 O ATOM 193 CB ASN A 13 -2.957 -2.912 -16.095 1.00 5.30 C ATOM 194 CG ASN A 13 -4.013 -3.871 -16.650 1.00 63.12 C ATOM 195 OD1 ASN A 13 -4.006 -5.070 -16.364 1.00 64.25 O ATOM 196 ND2 ASN A 13 -4.936 -3.345 -17.449 1.00 31.12 N ATOM 0 H ASN A 13 -4.453 -2.964 -14.095 1.00 72.14 H new ATOM 0 HA ASN A 13 -2.057 -4.276 -14.654 1.00 43.05 H new ATOM 0 HB2 ASN A 13 -3.373 -1.904 -16.083 1.00 5.30 H new ATOM 0 HB3 ASN A 13 -2.106 -2.898 -16.776 1.00 5.30 H new ATOM 0 HD21 ASN A 13 -5.666 -3.938 -17.845 1.00 31.12 H new ATOM 0 HD22 ASN A 13 -4.914 -2.349 -17.667 1.00 31.12 H new ATOM 203 N ILE A 14 -1.750 -1.065 -13.857 1.00 42.21 N ATOM 204 CA ILE A 14 -0.850 0.039 -13.507 1.00 43.41 C ATOM 205 C ILE A 14 -0.231 -0.206 -12.118 1.00 3.23 C ATOM 206 O ILE A 14 0.963 0.001 -11.930 1.00 71.32 O ATOM 207 CB ILE A 14 -1.638 1.395 -13.555 1.00 53.12 C ATOM 208 CG1 ILE A 14 -2.246 1.617 -14.980 1.00 13.32 C ATOM 209 CG2 ILE A 14 -0.777 2.599 -13.125 1.00 30.51 C ATOM 210 CD1 ILE A 14 -1.236 1.676 -16.129 1.00 23.42 C ATOM 0 H ILE A 14 -2.737 -0.835 -13.743 1.00 42.21 H new ATOM 0 HA ILE A 14 -0.035 0.093 -14.229 1.00 43.41 H new ATOM 0 HB ILE A 14 -2.449 1.324 -12.830 1.00 53.12 H new ATOM 0 HG12 ILE A 14 -2.953 0.813 -15.183 1.00 13.32 H new ATOM 0 HG13 ILE A 14 -2.815 2.547 -14.972 1.00 13.32 H new ATOM 0 HG21 ILE A 14 -1.373 3.510 -13.178 1.00 30.51 H new ATOM 0 HG22 ILE A 14 -0.430 2.451 -12.102 1.00 30.51 H new ATOM 0 HG23 ILE A 14 0.082 2.688 -13.791 1.00 30.51 H new ATOM 0 HD11 ILE A 14 -1.764 1.833 -17.070 1.00 23.42 H new ATOM 0 HD12 ILE A 14 -0.542 2.499 -15.961 1.00 23.42 H new ATOM 0 HD13 ILE A 14 -0.682 0.738 -16.175 1.00 23.42 H new ATOM 222 N ILE A 15 -1.064 -0.710 -11.181 1.00 33.33 N ATOM 223 CA ILE A 15 -0.619 -1.127 -9.827 1.00 34.31 C ATOM 224 C ILE A 15 0.482 -2.206 -9.940 1.00 43.12 C ATOM 225 O ILE A 15 1.446 -2.195 -9.183 1.00 23.40 O ATOM 226 CB ILE A 15 -1.837 -1.672 -8.977 1.00 41.34 C ATOM 227 CG1 ILE A 15 -2.883 -0.543 -8.742 1.00 0.12 C ATOM 228 CG2 ILE A 15 -1.394 -2.305 -7.631 1.00 35.03 C ATOM 229 CD1 ILE A 15 -4.122 -0.973 -7.975 1.00 43.21 C ATOM 0 H ILE A 15 -2.063 -0.840 -11.339 1.00 33.33 H new ATOM 0 HA ILE A 15 -0.210 -0.256 -9.315 1.00 34.31 H new ATOM 0 HB ILE A 15 -2.300 -2.470 -9.557 1.00 41.34 H new ATOM 0 HG12 ILE A 15 -2.402 0.272 -8.201 1.00 0.12 H new ATOM 0 HG13 ILE A 15 -3.191 -0.145 -9.709 1.00 0.12 H new ATOM 0 HG21 ILE A 15 -2.271 -2.661 -7.091 1.00 35.03 H new ATOM 0 HG22 ILE A 15 -0.723 -3.142 -7.826 1.00 35.03 H new ATOM 0 HG23 ILE A 15 -0.877 -1.557 -7.030 1.00 35.03 H new ATOM 0 HD11 ILE A 15 -4.792 -0.121 -7.860 1.00 43.21 H new ATOM 0 HD12 ILE A 15 -4.632 -1.765 -8.523 1.00 43.21 H new ATOM 0 HD13 ILE A 15 -3.831 -1.342 -6.991 1.00 43.21 H new ATOM 241 N SER A 16 0.327 -3.090 -10.944 1.00 71.42 N ATOM 242 CA SER A 16 1.272 -4.180 -11.227 1.00 30.22 C ATOM 243 C SER A 16 2.638 -3.627 -11.682 1.00 54.53 C ATOM 244 O SER A 16 3.672 -4.027 -11.152 1.00 22.45 O ATOM 245 CB SER A 16 0.662 -5.120 -12.297 1.00 74.21 C ATOM 246 OG SER A 16 1.474 -6.256 -12.533 1.00 11.25 O ATOM 0 H SER A 16 -0.466 -3.065 -11.585 1.00 71.42 H new ATOM 0 HA SER A 16 1.446 -4.748 -10.313 1.00 30.22 H new ATOM 0 HB2 SER A 16 -0.327 -5.443 -11.973 1.00 74.21 H new ATOM 0 HB3 SER A 16 0.529 -4.570 -13.229 1.00 74.21 H new ATOM 0 HG SER A 16 1.053 -6.823 -13.212 1.00 11.25 H new ATOM 252 N SER A 17 2.609 -2.670 -12.634 1.00 5.54 N ATOM 253 CA SER A 17 3.824 -2.048 -13.196 1.00 41.02 C ATOM 254 C SER A 17 4.620 -1.289 -12.102 1.00 70.34 C ATOM 255 O SER A 17 5.817 -1.519 -11.917 1.00 51.11 O ATOM 256 CB SER A 17 3.430 -1.084 -14.339 1.00 52.20 C ATOM 257 OG SER A 17 2.673 -1.738 -15.359 1.00 21.50 O ATOM 0 H SER A 17 1.743 -2.308 -13.033 1.00 5.54 H new ATOM 0 HA SER A 17 4.467 -2.835 -13.591 1.00 41.02 H new ATOM 0 HB2 SER A 17 2.848 -0.257 -13.931 1.00 52.20 H new ATOM 0 HB3 SER A 17 4.331 -0.654 -14.777 1.00 52.20 H new ATOM 0 HG SER A 17 1.795 -1.990 -15.004 1.00 21.50 H new ATOM 263 N VAL A 18 3.902 -0.424 -11.366 1.00 45.42 N ATOM 264 CA VAL A 18 4.459 0.434 -10.299 1.00 72.14 C ATOM 265 C VAL A 18 5.069 -0.408 -9.159 1.00 44.12 C ATOM 266 O VAL A 18 6.137 -0.073 -8.625 1.00 71.14 O ATOM 267 CB VAL A 18 3.327 1.373 -9.747 1.00 34.41 C ATOM 268 CG1 VAL A 18 3.778 2.191 -8.520 1.00 22.13 C ATOM 269 CG2 VAL A 18 2.805 2.300 -10.868 1.00 33.51 C ATOM 0 H VAL A 18 2.898 -0.297 -11.496 1.00 45.42 H new ATOM 0 HA VAL A 18 5.262 1.039 -10.720 1.00 72.14 H new ATOM 0 HB VAL A 18 2.513 0.731 -9.408 1.00 34.41 H new ATOM 0 HG11 VAL A 18 2.956 2.822 -8.181 1.00 22.13 H new ATOM 0 HG12 VAL A 18 4.070 1.513 -7.718 1.00 22.13 H new ATOM 0 HG13 VAL A 18 4.627 2.817 -8.792 1.00 22.13 H new ATOM 0 HG21 VAL A 18 2.021 2.945 -10.471 1.00 33.51 H new ATOM 0 HG22 VAL A 18 3.624 2.913 -11.244 1.00 33.51 H new ATOM 0 HG23 VAL A 18 2.401 1.696 -11.681 1.00 33.51 H new ATOM 279 N GLN A 19 4.367 -1.500 -8.823 1.00 74.33 N ATOM 280 CA GLN A 19 4.810 -2.494 -7.837 1.00 55.33 C ATOM 281 C GLN A 19 6.176 -3.077 -8.210 1.00 54.05 C ATOM 282 O GLN A 19 7.093 -3.077 -7.396 1.00 25.10 O ATOM 283 CB GLN A 19 3.764 -3.623 -7.748 1.00 41.04 C ATOM 284 CG GLN A 19 4.182 -4.843 -6.911 1.00 4.10 C ATOM 285 CD GLN A 19 3.228 -6.023 -7.039 1.00 64.31 C ATOM 286 OE1 GLN A 19 3.649 -7.176 -6.991 1.00 74.41 O ATOM 287 NE2 GLN A 19 1.929 -5.756 -7.157 1.00 14.50 N ATOM 0 H GLN A 19 3.461 -1.720 -9.236 1.00 74.33 H new ATOM 0 HA GLN A 19 4.909 -2.002 -6.870 1.00 55.33 H new ATOM 0 HB2 GLN A 19 2.846 -3.213 -7.328 1.00 41.04 H new ATOM 0 HB3 GLN A 19 3.530 -3.959 -8.758 1.00 41.04 H new ATOM 0 HG2 GLN A 19 5.180 -5.158 -7.216 1.00 4.10 H new ATOM 0 HG3 GLN A 19 4.246 -4.550 -5.863 1.00 4.10 H new ATOM 0 HE21 GLN A 19 1.609 -4.788 -7.194 1.00 14.50 H new ATOM 0 HE22 GLN A 19 1.254 -6.519 -7.210 1.00 14.50 H new ATOM 296 N GLU A 20 6.282 -3.552 -9.462 1.00 1.11 N ATOM 297 CA GLU A 20 7.498 -4.192 -9.984 1.00 72.45 C ATOM 298 C GLU A 20 8.676 -3.205 -10.016 1.00 63.12 C ATOM 299 O GLU A 20 9.802 -3.584 -9.706 1.00 34.35 O ATOM 300 CB GLU A 20 7.213 -4.785 -11.387 1.00 63.40 C ATOM 301 CG GLU A 20 6.198 -5.956 -11.367 1.00 73.15 C ATOM 302 CD GLU A 20 5.789 -6.443 -12.765 1.00 30.44 C ATOM 303 OE1 GLU A 20 6.550 -7.218 -13.381 1.00 53.10 O ATOM 304 OE2 GLU A 20 4.706 -6.049 -13.255 1.00 71.43 O ATOM 0 H GLU A 20 5.523 -3.502 -10.142 1.00 1.11 H new ATOM 0 HA GLU A 20 7.784 -5.004 -9.316 1.00 72.45 H new ATOM 0 HB2 GLU A 20 6.833 -3.996 -12.036 1.00 63.40 H new ATOM 0 HB3 GLU A 20 8.149 -5.133 -11.823 1.00 63.40 H new ATOM 0 HG2 GLU A 20 6.630 -6.790 -10.813 1.00 73.15 H new ATOM 0 HG3 GLU A 20 5.305 -5.642 -10.826 1.00 73.15 H new ATOM 311 N ARG A 21 8.381 -1.930 -10.340 1.00 34.34 N ATOM 312 CA ARG A 21 9.384 -0.844 -10.345 1.00 24.55 C ATOM 313 C ARG A 21 9.948 -0.634 -8.926 1.00 41.31 C ATOM 314 O ARG A 21 11.159 -0.487 -8.740 1.00 53.34 O ATOM 315 CB ARG A 21 8.760 0.480 -10.853 1.00 3.33 C ATOM 316 CG ARG A 21 8.300 0.465 -12.327 1.00 31.31 C ATOM 317 CD ARG A 21 7.661 1.794 -12.760 1.00 51.12 C ATOM 318 NE ARG A 21 7.305 1.797 -14.190 1.00 52.14 N ATOM 319 CZ ARG A 21 7.025 2.893 -14.917 1.00 24.44 C ATOM 320 NH1 ARG A 21 7.044 4.110 -14.360 1.00 22.34 N ATOM 321 NH2 ARG A 21 6.738 2.767 -16.210 1.00 1.24 N ATOM 0 H ARG A 21 7.445 -1.624 -10.605 1.00 34.34 H new ATOM 0 HA ARG A 21 10.191 -1.133 -11.018 1.00 24.55 H new ATOM 0 HB2 ARG A 21 7.904 0.725 -10.224 1.00 3.33 H new ATOM 0 HB3 ARG A 21 9.489 1.280 -10.724 1.00 3.33 H new ATOM 0 HG2 ARG A 21 9.155 0.251 -12.968 1.00 31.31 H new ATOM 0 HG3 ARG A 21 7.583 -0.343 -12.472 1.00 31.31 H new ATOM 0 HD2 ARG A 21 6.767 1.977 -12.164 1.00 51.12 H new ATOM 0 HD3 ARG A 21 8.353 2.612 -12.557 1.00 51.12 H new ATOM 0 HE ARG A 21 7.268 0.896 -14.666 1.00 52.14 H new ATOM 0 HH11 ARG A 21 7.273 4.215 -13.372 1.00 22.34 H new ATOM 0 HH12 ARG A 21 6.829 4.932 -14.924 1.00 22.34 H new ATOM 0 HH21 ARG A 21 6.731 1.844 -16.643 1.00 1.24 H new ATOM 0 HH22 ARG A 21 6.525 3.594 -16.768 1.00 1.24 H new ATOM 335 N ALA A 22 9.040 -0.659 -7.937 1.00 53.43 N ATOM 336 CA ALA A 22 9.386 -0.507 -6.520 1.00 14.32 C ATOM 337 C ALA A 22 10.203 -1.718 -6.027 1.00 53.14 C ATOM 338 O ALA A 22 11.177 -1.555 -5.306 1.00 4.12 O ATOM 339 CB ALA A 22 8.113 -0.321 -5.686 1.00 2.41 C ATOM 0 H ALA A 22 8.041 -0.786 -8.102 1.00 53.43 H new ATOM 0 HA ALA A 22 10.006 0.381 -6.401 1.00 14.32 H new ATOM 0 HB1 ALA A 22 8.380 -0.209 -4.635 1.00 2.41 H new ATOM 0 HB2 ALA A 22 7.584 0.570 -6.023 1.00 2.41 H new ATOM 0 HB3 ALA A 22 7.469 -1.192 -5.806 1.00 2.41 H new ATOM 345 N LYS A 23 9.814 -2.927 -6.476 1.00 64.53 N ATOM 346 CA LYS A 23 10.465 -4.189 -6.072 1.00 54.10 C ATOM 347 C LYS A 23 11.850 -4.376 -6.733 1.00 31.31 C ATOM 348 O LYS A 23 12.653 -5.171 -6.244 1.00 54.22 O ATOM 349 CB LYS A 23 9.550 -5.408 -6.387 1.00 3.22 C ATOM 350 CG LYS A 23 8.255 -5.486 -5.539 1.00 4.44 C ATOM 351 CD LYS A 23 7.417 -6.760 -5.835 1.00 32.21 C ATOM 352 CE LYS A 23 8.132 -8.060 -5.414 1.00 1.42 C ATOM 353 NZ LYS A 23 7.395 -9.283 -5.844 1.00 54.24 N ATOM 0 H LYS A 23 9.041 -3.057 -7.128 1.00 64.53 H new ATOM 0 HA LYS A 23 10.623 -4.130 -4.995 1.00 54.10 H new ATOM 0 HB2 LYS A 23 9.275 -5.375 -7.441 1.00 3.22 H new ATOM 0 HB3 LYS A 23 10.123 -6.323 -6.235 1.00 3.22 H new ATOM 0 HG2 LYS A 23 8.517 -5.467 -4.481 1.00 4.44 H new ATOM 0 HG3 LYS A 23 7.646 -4.603 -5.732 1.00 4.44 H new ATOM 0 HD2 LYS A 23 6.463 -6.691 -5.313 1.00 32.21 H new ATOM 0 HD3 LYS A 23 7.194 -6.803 -6.901 1.00 32.21 H new ATOM 0 HE2 LYS A 23 9.134 -8.074 -5.842 1.00 1.42 H new ATOM 0 HE3 LYS A 23 8.248 -8.072 -4.330 1.00 1.42 H new ATOM 0 HZ1 LYS A 23 7.917 -10.129 -5.537 1.00 54.24 H new ATOM 0 HZ2 LYS A 23 6.448 -9.286 -5.415 1.00 54.24 H new ATOM 0 HZ3 LYS A 23 7.306 -9.288 -6.880 1.00 54.24 H new ATOM 367 N HIS A 24 12.121 -3.683 -7.860 1.00 71.43 N ATOM 368 CA HIS A 24 13.458 -3.708 -8.507 1.00 42.44 C ATOM 369 C HIS A 24 14.519 -2.959 -7.669 1.00 12.42 C ATOM 370 O HIS A 24 15.708 -3.284 -7.735 1.00 72.35 O ATOM 371 CB HIS A 24 13.395 -3.103 -9.938 1.00 2.32 C ATOM 372 CG HIS A 24 12.560 -3.888 -10.924 1.00 45.11 C ATOM 373 ND1 HIS A 24 11.871 -3.296 -11.964 1.00 51.30 N ATOM 374 CD2 HIS A 24 12.309 -5.222 -11.033 1.00 42.02 C ATOM 375 CE1 HIS A 24 11.235 -4.221 -12.662 1.00 72.53 C ATOM 376 NE2 HIS A 24 11.484 -5.394 -12.118 1.00 42.21 N ATOM 0 H HIS A 24 11.437 -3.100 -8.342 1.00 71.43 H new ATOM 0 HA HIS A 24 13.756 -4.754 -8.574 1.00 42.44 H new ATOM 0 HB2 HIS A 24 12.997 -2.091 -9.872 1.00 2.32 H new ATOM 0 HB3 HIS A 24 14.410 -3.021 -10.327 1.00 2.32 H new ATOM 0 HD2 HIS A 24 12.688 -6.000 -10.387 1.00 42.02 H new ATOM 0 HE1 HIS A 24 10.617 -4.045 -13.530 1.00 72.53 H new ATOM 0 HE2 HIS A 24 11.122 -6.288 -12.449 1.00 42.21 H new ATOM 385 N ASN A 25 14.087 -1.952 -6.890 1.00 14.31 N ATOM 386 CA ASN A 25 15.000 -1.104 -6.074 1.00 74.34 C ATOM 387 C ASN A 25 14.980 -1.528 -4.596 1.00 3.10 C ATOM 388 O ASN A 25 16.020 -1.551 -3.928 1.00 31.21 O ATOM 389 CB ASN A 25 14.599 0.390 -6.202 1.00 42.34 C ATOM 390 CG ASN A 25 14.720 0.917 -7.632 1.00 44.44 C ATOM 391 OD1 ASN A 25 15.773 1.399 -8.048 1.00 33.53 O ATOM 392 ND2 ASN A 25 13.642 0.834 -8.392 1.00 71.52 N ATOM 0 H ASN A 25 13.103 -1.697 -6.802 1.00 14.31 H new ATOM 0 HA ASN A 25 16.013 -1.239 -6.453 1.00 74.34 H new ATOM 0 HB2 ASN A 25 13.572 0.516 -5.859 1.00 42.34 H new ATOM 0 HB3 ASN A 25 15.230 0.988 -5.545 1.00 42.34 H new ATOM 0 HD21 ASN A 25 13.668 1.175 -9.353 1.00 71.52 H new ATOM 0 HD22 ASN A 25 12.784 0.429 -8.018 1.00 71.52 H new ATOM 399 N TYR A 26 13.784 -1.842 -4.098 1.00 33.03 N ATOM 400 CA TYR A 26 13.548 -2.212 -2.693 1.00 41.52 C ATOM 401 C TYR A 26 13.476 -3.750 -2.553 1.00 55.31 C ATOM 402 O TYR A 26 13.076 -4.429 -3.504 1.00 14.15 O ATOM 403 CB TYR A 26 12.238 -1.538 -2.194 1.00 41.01 C ATOM 404 CG TYR A 26 12.272 0.006 -2.227 1.00 30.52 C ATOM 405 CD1 TYR A 26 13.009 0.730 -1.284 1.00 70.20 C ATOM 406 CD2 TYR A 26 11.570 0.739 -3.194 1.00 25.33 C ATOM 407 CE1 TYR A 26 13.042 2.114 -1.307 1.00 72.52 C ATOM 408 CE2 TYR A 26 11.603 2.124 -3.218 1.00 51.24 C ATOM 409 CZ TYR A 26 12.341 2.808 -2.271 1.00 14.02 C ATOM 410 OH TYR A 26 12.374 4.189 -2.280 1.00 24.44 O ATOM 0 H TYR A 26 12.936 -1.848 -4.664 1.00 33.03 H new ATOM 0 HA TYR A 26 14.375 -1.860 -2.076 1.00 41.52 H new ATOM 0 HB2 TYR A 26 11.407 -1.886 -2.807 1.00 41.01 H new ATOM 0 HB3 TYR A 26 12.040 -1.865 -1.173 1.00 41.01 H new ATOM 0 HD1 TYR A 26 13.563 0.199 -0.524 1.00 70.20 H new ATOM 0 HD2 TYR A 26 10.990 0.212 -3.937 1.00 25.33 H new ATOM 0 HE1 TYR A 26 13.618 2.651 -0.568 1.00 72.52 H new ATOM 0 HE2 TYR A 26 11.054 2.667 -3.974 1.00 51.24 H new ATOM 0 HH TYR A 26 12.746 4.502 -3.131 1.00 24.44 H new ATOM 420 N PRO A 27 13.846 -4.327 -1.362 1.00 70.32 N ATOM 421 CA PRO A 27 13.843 -5.804 -1.128 1.00 10.51 C ATOM 422 C PRO A 27 12.430 -6.398 -0.887 1.00 33.23 C ATOM 423 O PRO A 27 12.293 -7.402 -0.171 1.00 43.53 O ATOM 424 CB PRO A 27 14.714 -5.928 0.152 1.00 32.01 C ATOM 425 CG PRO A 27 14.458 -4.660 0.907 1.00 15.34 C ATOM 426 CD PRO A 27 14.324 -3.585 -0.148 1.00 12.41 C ATOM 0 HA PRO A 27 14.209 -6.356 -1.994 1.00 10.51 H new ATOM 0 HB2 PRO A 27 14.434 -6.803 0.739 1.00 32.01 H new ATOM 0 HB3 PRO A 27 15.770 -6.036 -0.096 1.00 32.01 H new ATOM 0 HG2 PRO A 27 13.552 -4.736 1.507 1.00 15.34 H new ATOM 0 HG3 PRO A 27 15.276 -4.438 1.592 1.00 15.34 H new ATOM 0 HD2 PRO A 27 13.614 -2.815 0.154 1.00 12.41 H new ATOM 0 HD3 PRO A 27 15.275 -3.087 -0.333 1.00 12.41 H new ATOM 434 N GLY A 28 11.400 -5.833 -1.547 1.00 63.25 N ATOM 435 CA GLY A 28 10.012 -6.057 -1.151 1.00 11.00 C ATOM 436 C GLY A 28 9.787 -5.484 0.245 1.00 72.44 C ATOM 437 O GLY A 28 10.137 -4.318 0.455 1.00 74.12 O ATOM 0 H GLY A 28 11.512 -5.220 -2.355 1.00 63.25 H new ATOM 0 HA2 GLY A 28 9.337 -5.583 -1.864 1.00 11.00 H new ATOM 0 HA3 GLY A 28 9.787 -7.123 -1.159 1.00 11.00 H new ATOM 441 N ARG A 29 9.227 -6.297 1.179 1.00 64.40 N ATOM 442 CA ARG A 29 9.178 -6.018 2.645 1.00 60.31 C ATOM 443 C ARG A 29 8.350 -4.749 2.985 1.00 24.02 C ATOM 444 O ARG A 29 7.252 -4.835 3.557 1.00 63.20 O ATOM 445 CB ARG A 29 10.631 -5.941 3.230 1.00 23.22 C ATOM 446 CG ARG A 29 10.752 -5.675 4.755 1.00 70.52 C ATOM 447 CD ARG A 29 10.196 -6.799 5.647 1.00 34.35 C ATOM 448 NE ARG A 29 8.726 -6.888 5.609 1.00 1.41 N ATOM 449 CZ ARG A 29 7.996 -8.013 5.645 1.00 61.42 C ATOM 450 NH1 ARG A 29 8.569 -9.216 5.721 1.00 54.24 N ATOM 451 NH2 ARG A 29 6.676 -7.923 5.603 1.00 23.03 N ATOM 0 H ARG A 29 8.787 -7.184 0.932 1.00 64.40 H new ATOM 0 HA ARG A 29 8.657 -6.848 3.122 1.00 60.31 H new ATOM 0 HB2 ARG A 29 11.139 -6.879 3.006 1.00 23.22 H new ATOM 0 HB3 ARG A 29 11.170 -5.154 2.703 1.00 23.22 H new ATOM 0 HG2 ARG A 29 11.802 -5.520 5.001 1.00 70.52 H new ATOM 0 HG3 ARG A 29 10.229 -4.749 4.992 1.00 70.52 H new ATOM 0 HD2 ARG A 29 10.621 -7.751 5.330 1.00 34.35 H new ATOM 0 HD3 ARG A 29 10.518 -6.633 6.675 1.00 34.35 H new ATOM 0 HE ARG A 29 8.213 -6.008 5.550 1.00 1.41 H new ATOM 0 HH11 ARG A 29 9.585 -9.296 5.753 1.00 54.24 H new ATOM 0 HH12 ARG A 29 7.991 -10.056 5.747 1.00 54.24 H new ATOM 0 HH21 ARG A 29 6.229 -7.008 5.544 1.00 23.03 H new ATOM 0 HH22 ARG A 29 6.106 -8.769 5.629 1.00 23.03 H new ATOM 465 N TYR A 30 8.913 -3.586 2.638 1.00 71.21 N ATOM 466 CA TYR A 30 8.234 -2.280 2.660 1.00 65.42 C ATOM 467 C TYR A 30 7.093 -2.268 1.619 1.00 55.23 C ATOM 468 O TYR A 30 6.117 -1.554 1.760 1.00 45.21 O ATOM 469 CB TYR A 30 9.265 -1.155 2.341 1.00 52.50 C ATOM 470 CG TYR A 30 10.421 -1.023 3.351 1.00 12.20 C ATOM 471 CD1 TYR A 30 11.378 -2.041 3.503 1.00 43.21 C ATOM 472 CD2 TYR A 30 10.558 0.113 4.156 1.00 24.40 C ATOM 473 CE1 TYR A 30 12.407 -1.933 4.415 1.00 41.34 C ATOM 474 CE2 TYR A 30 11.591 0.227 5.071 1.00 72.02 C ATOM 475 CZ TYR A 30 12.514 -0.801 5.198 1.00 44.24 C ATOM 476 OH TYR A 30 13.537 -0.703 6.120 1.00 44.13 O ATOM 0 H TYR A 30 9.882 -3.523 2.325 1.00 71.21 H new ATOM 0 HA TYR A 30 7.809 -2.105 3.649 1.00 65.42 H new ATOM 0 HB2 TYR A 30 9.686 -1.339 1.352 1.00 52.50 H new ATOM 0 HB3 TYR A 30 8.737 -0.203 2.290 1.00 52.50 H new ATOM 0 HD1 TYR A 30 11.306 -2.928 2.892 1.00 43.21 H new ATOM 0 HD2 TYR A 30 9.844 0.917 4.062 1.00 24.40 H new ATOM 0 HE1 TYR A 30 13.127 -2.732 4.516 1.00 41.34 H new ATOM 0 HE2 TYR A 30 11.678 1.112 5.683 1.00 72.02 H new ATOM 0 HH TYR A 30 13.473 0.155 6.590 1.00 44.13 H new ATOM 486 N ILE A 31 7.259 -3.076 0.566 1.00 70.53 N ATOM 487 CA ILE A 31 6.259 -3.280 -0.488 1.00 51.12 C ATOM 488 C ILE A 31 5.546 -4.619 -0.217 1.00 35.13 C ATOM 489 O ILE A 31 6.202 -5.669 -0.115 1.00 21.44 O ATOM 490 CB ILE A 31 6.921 -3.284 -1.936 1.00 53.34 C ATOM 491 CG1 ILE A 31 7.383 -1.848 -2.374 1.00 60.22 C ATOM 492 CG2 ILE A 31 5.973 -3.894 -3.006 1.00 52.04 C ATOM 493 CD1 ILE A 31 8.547 -1.257 -1.596 1.00 42.31 C ATOM 0 H ILE A 31 8.111 -3.618 0.420 1.00 70.53 H new ATOM 0 HA ILE A 31 5.545 -2.456 -0.471 1.00 51.12 H new ATOM 0 HB ILE A 31 7.805 -3.918 -1.866 1.00 53.34 H new ATOM 0 HG12 ILE A 31 7.656 -1.882 -3.429 1.00 60.22 H new ATOM 0 HG13 ILE A 31 6.533 -1.172 -2.287 1.00 60.22 H new ATOM 0 HG21 ILE A 31 6.464 -3.877 -3.979 1.00 52.04 H new ATOM 0 HG22 ILE A 31 5.735 -4.923 -2.737 1.00 52.04 H new ATOM 0 HG23 ILE A 31 5.054 -3.310 -3.053 1.00 52.04 H new ATOM 0 HD11 ILE A 31 8.778 -0.265 -1.985 1.00 42.31 H new ATOM 0 HD12 ILE A 31 8.279 -1.180 -0.542 1.00 42.31 H new ATOM 0 HD13 ILE A 31 9.420 -1.901 -1.702 1.00 42.31 H new ATOM 505 N ARG A 32 4.217 -4.560 -0.074 1.00 40.21 N ATOM 506 CA ARG A 32 3.349 -5.733 0.122 1.00 33.42 C ATOM 507 C ARG A 32 2.081 -5.549 -0.720 1.00 45.41 C ATOM 508 O ARG A 32 1.623 -4.425 -0.907 1.00 72.40 O ATOM 509 CB ARG A 32 2.994 -5.890 1.630 1.00 52.44 C ATOM 510 CG ARG A 32 1.991 -7.025 1.969 1.00 24.21 C ATOM 511 CD ARG A 32 2.495 -8.434 1.623 1.00 42.44 C ATOM 512 NE ARG A 32 1.488 -9.474 1.926 1.00 14.42 N ATOM 513 CZ ARG A 32 1.478 -10.253 3.022 1.00 42.53 C ATOM 514 NH1 ARG A 32 2.408 -10.126 3.961 1.00 72.20 N ATOM 515 NH2 ARG A 32 0.545 -11.182 3.158 1.00 64.24 N ATOM 0 H ARG A 32 3.702 -3.680 -0.091 1.00 40.21 H new ATOM 0 HA ARG A 32 3.866 -6.639 -0.196 1.00 33.42 H new ATOM 0 HB2 ARG A 32 3.915 -6.066 2.185 1.00 52.44 H new ATOM 0 HB3 ARG A 32 2.582 -4.947 1.988 1.00 52.44 H new ATOM 0 HG2 ARG A 32 1.760 -6.985 3.034 1.00 24.21 H new ATOM 0 HG3 ARG A 32 1.059 -6.843 1.434 1.00 24.21 H new ATOM 0 HD2 ARG A 32 2.753 -8.477 0.565 1.00 42.44 H new ATOM 0 HD3 ARG A 32 3.408 -8.640 2.182 1.00 42.44 H new ATOM 0 HE ARG A 32 0.739 -9.612 1.247 1.00 14.42 H new ATOM 0 HH11 ARG A 32 3.145 -9.429 3.857 1.00 72.20 H new ATOM 0 HH12 ARG A 32 2.385 -10.725 4.786 1.00 72.20 H new ATOM 0 HH21 ARG A 32 -0.162 -11.305 2.433 1.00 64.24 H new ATOM 0 HH22 ARG A 32 0.533 -11.775 3.988 1.00 64.24 H new ATOM 529 N THR A 33 1.520 -6.653 -1.233 1.00 30.43 N ATOM 530 CA THR A 33 0.286 -6.625 -2.027 1.00 51.11 C ATOM 531 C THR A 33 -0.901 -7.083 -1.170 1.00 4.31 C ATOM 532 O THR A 33 -0.814 -8.110 -0.481 1.00 44.44 O ATOM 533 CB THR A 33 0.401 -7.541 -3.289 1.00 71.01 C ATOM 534 OG1 THR A 33 0.554 -8.914 -2.900 1.00 61.31 O ATOM 535 CG2 THR A 33 1.591 -7.138 -4.171 1.00 23.44 C ATOM 0 H THR A 33 1.909 -7.588 -1.109 1.00 30.43 H new ATOM 0 HA THR A 33 0.126 -5.599 -2.359 1.00 51.11 H new ATOM 0 HB THR A 33 -0.518 -7.418 -3.862 1.00 71.01 H new ATOM 0 HG1 THR A 33 0.623 -9.475 -3.701 1.00 61.31 H new ATOM 0 HG21 THR A 33 1.640 -7.796 -5.039 1.00 23.44 H new ATOM 0 HG22 THR A 33 1.465 -6.108 -4.504 1.00 23.44 H new ATOM 0 HG23 THR A 33 2.514 -7.224 -3.598 1.00 23.44 H new ATOM 543 N ALA A 34 -1.993 -6.312 -1.198 1.00 34.50 N ATOM 544 CA ALA A 34 -3.277 -6.738 -0.647 1.00 11.33 C ATOM 545 C ALA A 34 -4.136 -7.248 -1.805 1.00 2.53 C ATOM 546 O ALA A 34 -4.709 -6.459 -2.568 1.00 11.10 O ATOM 547 CB ALA A 34 -3.966 -5.587 0.096 1.00 31.00 C ATOM 0 H ALA A 34 -2.008 -5.376 -1.604 1.00 34.50 H new ATOM 0 HA ALA A 34 -3.129 -7.534 0.083 1.00 11.33 H new ATOM 0 HB1 ALA A 34 -4.920 -5.931 0.496 1.00 31.00 H new ATOM 0 HB2 ALA A 34 -3.330 -5.250 0.914 1.00 31.00 H new ATOM 0 HB3 ALA A 34 -4.139 -4.761 -0.594 1.00 31.00 H new ATOM 553 N THR A 35 -4.172 -8.572 -1.963 1.00 64.21 N ATOM 554 CA THR A 35 -5.054 -9.247 -2.930 1.00 63.11 C ATOM 555 C THR A 35 -6.141 -10.020 -2.172 1.00 32.14 C ATOM 556 O THR A 35 -7.163 -10.411 -2.741 1.00 25.52 O ATOM 557 CB THR A 35 -4.241 -10.163 -3.913 1.00 0.12 C ATOM 558 OG1 THR A 35 -5.105 -10.719 -4.917 1.00 51.30 O ATOM 559 CG2 THR A 35 -3.488 -11.301 -3.197 1.00 61.13 C ATOM 0 H THR A 35 -3.590 -9.213 -1.424 1.00 64.21 H new ATOM 0 HA THR A 35 -5.540 -8.498 -3.555 1.00 63.11 H new ATOM 0 HB THR A 35 -3.493 -9.520 -4.377 1.00 0.12 H new ATOM 0 HG1 THR A 35 -4.841 -10.382 -5.799 1.00 51.30 H new ATOM 0 HG21 THR A 35 -2.946 -11.897 -3.931 1.00 61.13 H new ATOM 0 HG22 THR A 35 -2.783 -10.877 -2.482 1.00 61.13 H new ATOM 0 HG23 THR A 35 -4.202 -11.935 -2.670 1.00 61.13 H new ATOM 567 N SER A 36 -5.923 -10.182 -0.860 1.00 22.34 N ATOM 568 CA SER A 36 -6.878 -10.782 0.064 1.00 32.31 C ATOM 569 C SER A 36 -6.875 -9.984 1.379 1.00 0.14 C ATOM 570 O SER A 36 -5.883 -9.312 1.721 1.00 11.51 O ATOM 571 CB SER A 36 -6.508 -12.265 0.315 1.00 53.33 C ATOM 572 OG SER A 36 -7.402 -12.886 1.225 1.00 23.45 O ATOM 0 H SER A 36 -5.056 -9.891 -0.408 1.00 22.34 H new ATOM 0 HA SER A 36 -7.880 -10.752 -0.365 1.00 32.31 H new ATOM 0 HB2 SER A 36 -6.518 -12.807 -0.631 1.00 53.33 H new ATOM 0 HB3 SER A 36 -5.492 -12.325 0.706 1.00 53.33 H new ATOM 0 HG SER A 36 -7.138 -13.820 1.357 1.00 23.45 H new ATOM 578 N SER A 37 -7.991 -10.064 2.103 1.00 31.12 N ATOM 579 CA SER A 37 -8.104 -9.530 3.461 1.00 71.24 C ATOM 580 C SER A 37 -7.156 -10.282 4.423 1.00 20.24 C ATOM 581 O SER A 37 -6.742 -9.749 5.460 1.00 0.02 O ATOM 582 CB SER A 37 -9.567 -9.648 3.911 1.00 43.44 C ATOM 583 OG SER A 37 -10.433 -9.077 2.948 1.00 75.13 O ATOM 0 H SER A 37 -8.847 -10.503 1.763 1.00 31.12 H new ATOM 0 HA SER A 37 -7.807 -8.481 3.475 1.00 71.24 H new ATOM 0 HB2 SER A 37 -9.823 -10.697 4.062 1.00 43.44 H new ATOM 0 HB3 SER A 37 -9.700 -9.147 4.870 1.00 43.44 H new ATOM 0 HG SER A 37 -11.100 -8.518 3.399 1.00 75.13 H new ATOM 589 N GLN A 38 -6.801 -11.521 4.036 1.00 3.01 N ATOM 590 CA GLN A 38 -5.828 -12.357 4.746 1.00 50.14 C ATOM 591 C GLN A 38 -4.409 -11.753 4.638 1.00 11.12 C ATOM 592 O GLN A 38 -3.621 -11.857 5.590 1.00 22.22 O ATOM 593 CB GLN A 38 -5.882 -13.819 4.216 1.00 55.42 C ATOM 594 CG GLN A 38 -7.098 -14.661 4.694 1.00 2.45 C ATOM 595 CD GLN A 38 -8.471 -14.043 4.388 1.00 13.34 C ATOM 596 OE1 GLN A 38 -9.039 -13.312 5.205 1.00 62.41 O ATOM 597 NE2 GLN A 38 -9.001 -14.309 3.210 1.00 23.22 N ATOM 0 H GLN A 38 -7.191 -11.972 3.208 1.00 3.01 H new ATOM 0 HA GLN A 38 -6.088 -12.382 5.804 1.00 50.14 H new ATOM 0 HB2 GLN A 38 -5.887 -13.792 3.126 1.00 55.42 H new ATOM 0 HB3 GLN A 38 -4.968 -14.330 4.518 1.00 55.42 H new ATOM 0 HG2 GLN A 38 -7.046 -15.645 4.228 1.00 2.45 H new ATOM 0 HG3 GLN A 38 -7.016 -14.813 5.770 1.00 2.45 H new ATOM 0 HE21 GLN A 38 -8.509 -14.917 2.555 1.00 23.22 H new ATOM 0 HE22 GLN A 38 -9.903 -13.907 2.954 1.00 23.22 H new ATOM 606 N ASP A 39 -4.085 -11.112 3.478 1.00 73.41 N ATOM 607 CA ASP A 39 -2.868 -10.269 3.349 1.00 71.12 C ATOM 608 C ASP A 39 -2.968 -9.073 4.303 1.00 13.20 C ATOM 609 O ASP A 39 -2.069 -8.837 5.099 1.00 75.11 O ATOM 610 CB ASP A 39 -2.665 -9.723 1.901 1.00 14.23 C ATOM 611 CG ASP A 39 -2.371 -10.807 0.857 1.00 64.23 C ATOM 612 OD1 ASP A 39 -1.193 -11.209 0.720 1.00 1.42 O ATOM 613 OD2 ASP A 39 -3.311 -11.257 0.178 1.00 31.14 O ATOM 0 H ASP A 39 -4.647 -11.165 2.628 1.00 73.41 H new ATOM 0 HA ASP A 39 -2.017 -10.904 3.596 1.00 71.12 H new ATOM 0 HB2 ASP A 39 -3.560 -9.179 1.601 1.00 14.23 H new ATOM 0 HB3 ASP A 39 -1.843 -9.007 1.906 1.00 14.23 H new ATOM 618 N ILE A 40 -4.114 -8.372 4.217 1.00 70.44 N ATOM 619 CA ILE A 40 -4.356 -7.082 4.889 1.00 63.53 C ATOM 620 C ILE A 40 -4.064 -7.126 6.405 1.00 44.34 C ATOM 621 O ILE A 40 -3.145 -6.428 6.861 1.00 25.43 O ATOM 622 CB ILE A 40 -5.815 -6.589 4.575 1.00 51.04 C ATOM 623 CG1 ILE A 40 -5.902 -6.145 3.077 1.00 51.31 C ATOM 624 CG2 ILE A 40 -6.289 -5.479 5.536 1.00 53.32 C ATOM 625 CD1 ILE A 40 -7.254 -5.650 2.617 1.00 11.12 C ATOM 0 H ILE A 40 -4.912 -8.692 3.668 1.00 70.44 H new ATOM 0 HA ILE A 40 -3.648 -6.356 4.488 1.00 63.53 H new ATOM 0 HB ILE A 40 -6.498 -7.422 4.738 1.00 51.04 H new ATOM 0 HG12 ILE A 40 -5.170 -5.355 2.908 1.00 51.31 H new ATOM 0 HG13 ILE A 40 -5.612 -6.988 2.450 1.00 51.31 H new ATOM 0 HG21 ILE A 40 -7.303 -5.177 5.272 1.00 53.32 H new ATOM 0 HG22 ILE A 40 -6.277 -5.854 6.559 1.00 53.32 H new ATOM 0 HG23 ILE A 40 -5.623 -4.620 5.457 1.00 53.32 H new ATOM 0 HD11 ILE A 40 -7.200 -5.369 1.565 1.00 11.12 H new ATOM 0 HD12 ILE A 40 -7.993 -6.441 2.744 1.00 11.12 H new ATOM 0 HD13 ILE A 40 -7.545 -4.783 3.210 1.00 11.12 H new ATOM 637 N ARG A 41 -4.797 -7.970 7.170 1.00 30.54 N ATOM 638 CA ARG A 41 -4.585 -8.065 8.635 1.00 31.35 C ATOM 639 C ARG A 41 -3.125 -8.446 8.962 1.00 14.21 C ATOM 640 O ARG A 41 -2.554 -7.904 9.901 1.00 1.02 O ATOM 641 CB ARG A 41 -5.578 -9.050 9.329 1.00 54.31 C ATOM 642 CG ARG A 41 -6.971 -8.450 9.661 1.00 44.41 C ATOM 643 CD ARG A 41 -7.873 -8.244 8.432 1.00 61.34 C ATOM 644 NE ARG A 41 -8.270 -9.536 7.832 1.00 52.11 N ATOM 645 CZ ARG A 41 -9.502 -9.862 7.405 1.00 50.44 C ATOM 646 NH1 ARG A 41 -10.518 -9.001 7.487 1.00 32.11 N ATOM 647 NH2 ARG A 41 -9.707 -11.065 6.883 1.00 72.23 N ATOM 0 H ARG A 41 -5.526 -8.584 6.807 1.00 30.54 H new ATOM 0 HA ARG A 41 -4.788 -7.073 9.039 1.00 31.35 H new ATOM 0 HB2 ARG A 41 -5.717 -9.917 8.684 1.00 54.31 H new ATOM 0 HB3 ARG A 41 -5.124 -9.409 10.253 1.00 54.31 H new ATOM 0 HG2 ARG A 41 -7.480 -9.108 10.366 1.00 44.41 H new ATOM 0 HG3 ARG A 41 -6.832 -7.492 10.162 1.00 44.41 H new ATOM 0 HD2 ARG A 41 -8.764 -7.687 8.722 1.00 61.34 H new ATOM 0 HD3 ARG A 41 -7.348 -7.642 7.690 1.00 61.34 H new ATOM 0 HE ARG A 41 -7.543 -10.244 7.733 1.00 52.11 H new ATOM 0 HH11 ARG A 41 -10.369 -8.072 7.881 1.00 32.11 H new ATOM 0 HH12 ARG A 41 -11.444 -9.272 7.156 1.00 32.11 H new ATOM 0 HH21 ARG A 41 -8.935 -11.728 6.810 1.00 72.23 H new ATOM 0 HH22 ARG A 41 -10.637 -11.327 6.555 1.00 72.23 H new ATOM 661 N ASP A 42 -2.527 -9.319 8.126 1.00 35.52 N ATOM 662 CA ASP A 42 -1.129 -9.777 8.287 1.00 2.12 C ATOM 663 C ASP A 42 -0.128 -8.603 8.168 1.00 21.22 C ATOM 664 O ASP A 42 0.888 -8.578 8.872 1.00 41.42 O ATOM 665 CB ASP A 42 -0.809 -10.877 7.240 1.00 74.40 C ATOM 666 CG ASP A 42 0.615 -11.445 7.363 1.00 3.31 C ATOM 667 OD1 ASP A 42 0.864 -12.248 8.285 1.00 72.01 O ATOM 668 OD2 ASP A 42 1.489 -11.102 6.538 1.00 13.45 O ATOM 0 H ASP A 42 -2.999 -9.727 7.319 1.00 35.52 H new ATOM 0 HA ASP A 42 -1.022 -10.195 9.288 1.00 2.12 H new ATOM 0 HB2 ASP A 42 -1.527 -11.690 7.348 1.00 74.40 H new ATOM 0 HB3 ASP A 42 -0.942 -10.465 6.240 1.00 74.40 H new ATOM 673 N ILE A 43 -0.439 -7.625 7.290 1.00 72.43 N ATOM 674 CA ILE A 43 0.376 -6.400 7.123 1.00 71.35 C ATOM 675 C ILE A 43 0.367 -5.600 8.439 1.00 54.43 C ATOM 676 O ILE A 43 1.409 -5.269 8.997 1.00 13.30 O ATOM 677 CB ILE A 43 -0.184 -5.496 5.954 1.00 34.13 C ATOM 678 CG1 ILE A 43 -0.281 -6.305 4.623 1.00 41.21 C ATOM 679 CG2 ILE A 43 0.670 -4.218 5.765 1.00 34.41 C ATOM 680 CD1 ILE A 43 -1.121 -5.656 3.535 1.00 14.12 C ATOM 0 H ILE A 43 -1.256 -7.661 6.680 1.00 72.43 H new ATOM 0 HA ILE A 43 1.394 -6.695 6.869 1.00 71.35 H new ATOM 0 HB ILE A 43 -1.189 -5.180 6.234 1.00 34.13 H new ATOM 0 HG12 ILE A 43 0.726 -6.463 4.237 1.00 41.21 H new ATOM 0 HG13 ILE A 43 -0.696 -7.289 4.843 1.00 41.21 H new ATOM 0 HG21 ILE A 43 0.256 -3.620 4.953 1.00 34.41 H new ATOM 0 HG22 ILE A 43 0.661 -3.635 6.686 1.00 34.41 H new ATOM 0 HG23 ILE A 43 1.695 -4.498 5.523 1.00 34.41 H new ATOM 0 HD11 ILE A 43 -1.127 -6.294 2.651 1.00 14.12 H new ATOM 0 HD12 ILE A 43 -2.142 -5.523 3.894 1.00 14.12 H new ATOM 0 HD13 ILE A 43 -0.697 -4.685 3.279 1.00 14.12 H new ATOM 692 N ILE A 44 -0.850 -5.399 8.952 1.00 74.43 N ATOM 693 CA ILE A 44 -1.139 -4.525 10.096 1.00 62.31 C ATOM 694 C ILE A 44 -0.611 -5.119 11.427 1.00 35.33 C ATOM 695 O ILE A 44 -0.226 -4.367 12.333 1.00 35.10 O ATOM 696 CB ILE A 44 -2.688 -4.255 10.124 1.00 41.12 C ATOM 697 CG1 ILE A 44 -3.124 -3.594 8.765 1.00 63.34 C ATOM 698 CG2 ILE A 44 -3.113 -3.393 11.335 1.00 62.35 C ATOM 699 CD1 ILE A 44 -4.617 -3.471 8.547 1.00 13.41 C ATOM 0 H ILE A 44 -1.683 -5.850 8.575 1.00 74.43 H new ATOM 0 HA ILE A 44 -0.613 -3.577 9.982 1.00 62.31 H new ATOM 0 HB ILE A 44 -3.201 -5.210 10.241 1.00 41.12 H new ATOM 0 HG12 ILE A 44 -2.683 -2.599 8.708 1.00 63.34 H new ATOM 0 HG13 ILE A 44 -2.702 -4.177 7.946 1.00 63.34 H new ATOM 0 HG21 ILE A 44 -4.191 -3.235 11.309 1.00 62.35 H new ATOM 0 HG22 ILE A 44 -2.844 -3.905 12.259 1.00 62.35 H new ATOM 0 HG23 ILE A 44 -2.604 -2.430 11.293 1.00 62.35 H new ATOM 0 HD11 ILE A 44 -4.806 -3.003 7.581 1.00 13.41 H new ATOM 0 HD12 ILE A 44 -5.070 -4.462 8.565 1.00 13.41 H new ATOM 0 HD13 ILE A 44 -5.051 -2.859 9.338 1.00 13.41 H new ATOM 711 N LYS A 45 -0.538 -6.469 11.509 1.00 62.42 N ATOM 712 CA LYS A 45 0.032 -7.181 12.682 1.00 41.25 C ATOM 713 C LYS A 45 1.520 -6.816 12.863 1.00 54.10 C ATOM 714 O LYS A 45 1.965 -6.510 13.973 1.00 11.45 O ATOM 715 CB LYS A 45 -0.114 -8.722 12.527 1.00 21.03 C ATOM 716 CG LYS A 45 -1.567 -9.248 12.516 1.00 2.33 C ATOM 717 CD LYS A 45 -1.658 -10.740 12.099 1.00 33.22 C ATOM 718 CE LYS A 45 -3.105 -11.217 11.890 1.00 61.52 C ATOM 719 NZ LYS A 45 -3.169 -12.654 11.496 1.00 34.01 N ATOM 0 H LYS A 45 -0.869 -7.092 10.772 1.00 62.42 H new ATOM 0 HA LYS A 45 -0.525 -6.867 13.565 1.00 41.25 H new ATOM 0 HB2 LYS A 45 0.372 -9.025 11.600 1.00 21.03 H new ATOM 0 HB3 LYS A 45 0.424 -9.206 13.342 1.00 21.03 H new ATOM 0 HG2 LYS A 45 -2.002 -9.125 13.508 1.00 2.33 H new ATOM 0 HG3 LYS A 45 -2.162 -8.646 11.830 1.00 2.33 H new ATOM 0 HD2 LYS A 45 -1.095 -10.889 11.178 1.00 33.22 H new ATOM 0 HD3 LYS A 45 -1.185 -11.355 12.865 1.00 33.22 H new ATOM 0 HE2 LYS A 45 -3.672 -11.068 12.809 1.00 61.52 H new ATOM 0 HE3 LYS A 45 -3.579 -10.609 11.120 1.00 61.52 H new ATOM 0 HZ1 LYS A 45 -4.162 -12.934 11.365 1.00 34.01 H new ATOM 0 HZ2 LYS A 45 -2.650 -12.793 10.606 1.00 34.01 H new ATOM 0 HZ3 LYS A 45 -2.740 -13.238 12.242 1.00 34.01 H new ATOM 733 N SER A 46 2.260 -6.825 11.736 1.00 62.41 N ATOM 734 CA SER A 46 3.702 -6.530 11.708 1.00 4.54 C ATOM 735 C SER A 46 3.959 -5.018 11.762 1.00 64.04 C ATOM 736 O SER A 46 4.998 -4.591 12.256 1.00 13.24 O ATOM 737 CB SER A 46 4.352 -7.158 10.450 1.00 31.41 C ATOM 738 OG SER A 46 3.704 -6.741 9.259 1.00 41.24 O ATOM 0 H SER A 46 1.870 -7.038 10.818 1.00 62.41 H new ATOM 0 HA SER A 46 4.160 -6.973 12.592 1.00 4.54 H new ATOM 0 HB2 SER A 46 5.405 -6.880 10.408 1.00 31.41 H new ATOM 0 HB3 SER A 46 4.312 -8.245 10.524 1.00 31.41 H new ATOM 0 HG SER A 46 2.976 -6.123 9.482 1.00 41.24 H new ATOM 744 N MET A 47 2.992 -4.212 11.272 1.00 31.12 N ATOM 745 CA MET A 47 3.111 -2.734 11.240 1.00 25.34 C ATOM 746 C MET A 47 3.089 -2.109 12.646 1.00 54.42 C ATOM 747 O MET A 47 3.498 -0.954 12.815 1.00 71.53 O ATOM 748 CB MET A 47 2.012 -2.099 10.351 1.00 1.42 C ATOM 749 CG MET A 47 2.248 -2.245 8.847 1.00 55.14 C ATOM 750 SD MET A 47 3.866 -1.629 8.345 1.00 40.51 S ATOM 751 CE MET A 47 3.751 0.119 8.698 1.00 13.45 C ATOM 0 H MET A 47 2.113 -4.562 10.890 1.00 31.12 H new ATOM 0 HA MET A 47 4.085 -2.515 10.802 1.00 25.34 H new ATOM 0 HB2 MET A 47 1.053 -2.553 10.601 1.00 1.42 H new ATOM 0 HB3 MET A 47 1.935 -1.039 10.592 1.00 1.42 H new ATOM 0 HG2 MET A 47 2.159 -3.295 8.568 1.00 55.14 H new ATOM 0 HG3 MET A 47 1.472 -1.704 8.306 1.00 55.14 H new ATOM 0 HE1 MET A 47 4.447 0.665 8.061 1.00 13.45 H new ATOM 0 HE2 MET A 47 2.735 0.463 8.504 1.00 13.45 H new ATOM 0 HE3 MET A 47 4.001 0.296 9.744 1.00 13.45 H new ATOM 761 N LYS A 48 2.603 -2.871 13.633 1.00 72.12 N ATOM 762 CA LYS A 48 2.636 -2.468 15.047 1.00 35.02 C ATOM 763 C LYS A 48 4.083 -2.507 15.572 1.00 73.30 C ATOM 764 O LYS A 48 4.517 -1.620 16.315 1.00 3.21 O ATOM 765 CB LYS A 48 1.728 -3.401 15.881 1.00 34.23 C ATOM 766 CG LYS A 48 0.242 -3.363 15.470 1.00 0.12 C ATOM 767 CD LYS A 48 -0.655 -4.215 16.398 1.00 45.53 C ATOM 768 CE LYS A 48 -0.419 -5.724 16.262 1.00 53.04 C ATOM 769 NZ LYS A 48 -1.291 -6.505 17.182 1.00 14.31 N ATOM 0 H LYS A 48 2.176 -3.784 13.476 1.00 72.12 H new ATOM 0 HA LYS A 48 2.263 -1.448 15.139 1.00 35.02 H new ATOM 0 HB2 LYS A 48 2.094 -4.424 15.789 1.00 34.23 H new ATOM 0 HB3 LYS A 48 1.811 -3.126 16.933 1.00 34.23 H new ATOM 0 HG2 LYS A 48 -0.108 -2.331 15.481 1.00 0.12 H new ATOM 0 HG3 LYS A 48 0.143 -3.722 14.446 1.00 0.12 H new ATOM 0 HD2 LYS A 48 -0.478 -3.920 17.432 1.00 45.53 H new ATOM 0 HD3 LYS A 48 -1.700 -3.998 16.179 1.00 45.53 H new ATOM 0 HE2 LYS A 48 -0.609 -6.030 15.233 1.00 53.04 H new ATOM 0 HE3 LYS A 48 0.626 -5.949 16.474 1.00 53.04 H new ATOM 0 HZ1 LYS A 48 -1.321 -7.497 16.872 1.00 14.31 H new ATOM 0 HZ2 LYS A 48 -0.909 -6.455 18.148 1.00 14.31 H new ATOM 0 HZ3 LYS A 48 -2.252 -6.109 17.169 1.00 14.31 H new ATOM 816 N LYS A 52 8.538 1.943 10.756 1.00 40.24 N ATOM 817 CA LYS A 52 9.039 2.213 9.399 1.00 63.24 C ATOM 818 C LYS A 52 7.850 2.334 8.413 1.00 54.43 C ATOM 819 O LYS A 52 6.756 1.820 8.700 1.00 21.10 O ATOM 820 CB LYS A 52 10.019 1.085 8.957 1.00 63.55 C ATOM 821 CG LYS A 52 9.396 -0.326 8.859 1.00 22.02 C ATOM 822 CD LYS A 52 10.368 -1.371 8.263 1.00 53.24 C ATOM 823 CE LYS A 52 11.648 -1.552 9.096 1.00 1.55 C ATOM 824 NZ LYS A 52 12.633 -2.445 8.426 1.00 55.41 N ATOM 0 HA LYS A 52 9.584 3.157 9.397 1.00 63.24 H new ATOM 0 HB2 LYS A 52 10.437 1.349 7.985 1.00 63.55 H new ATOM 0 HB3 LYS A 52 10.849 1.050 9.662 1.00 63.55 H new ATOM 0 HG2 LYS A 52 9.085 -0.651 9.852 1.00 22.02 H new ATOM 0 HG3 LYS A 52 8.498 -0.279 8.243 1.00 22.02 H new ATOM 0 HD2 LYS A 52 9.856 -2.330 8.183 1.00 53.24 H new ATOM 0 HD3 LYS A 52 10.640 -1.069 7.252 1.00 53.24 H new ATOM 0 HE2 LYS A 52 12.105 -0.578 9.273 1.00 1.55 H new ATOM 0 HE3 LYS A 52 11.390 -1.965 10.071 1.00 1.55 H new ATOM 0 HZ1 LYS A 52 13.401 -2.675 9.089 1.00 55.41 H new ATOM 0 HZ2 LYS A 52 12.160 -3.322 8.127 1.00 55.41 H new ATOM 0 HZ3 LYS A 52 13.028 -1.963 7.593 1.00 55.41 H new ATOM 838 N PRO A 53 8.038 3.021 7.238 1.00 51.11 N ATOM 839 CA PRO A 53 6.970 3.169 6.226 1.00 2.13 C ATOM 840 C PRO A 53 6.770 1.893 5.394 1.00 64.21 C ATOM 841 O PRO A 53 7.729 1.163 5.104 1.00 25.31 O ATOM 842 CB PRO A 53 7.484 4.327 5.347 1.00 72.22 C ATOM 843 CG PRO A 53 8.968 4.175 5.390 1.00 61.44 C ATOM 844 CD PRO A 53 9.284 3.725 6.804 1.00 22.12 C ATOM 0 HA PRO A 53 5.995 3.358 6.676 1.00 2.13 H new ATOM 0 HB2 PRO A 53 7.104 4.255 4.328 1.00 72.22 H new ATOM 0 HB3 PRO A 53 7.170 5.295 5.737 1.00 72.22 H new ATOM 0 HG2 PRO A 53 9.310 3.443 4.659 1.00 61.44 H new ATOM 0 HG3 PRO A 53 9.467 5.116 5.156 1.00 61.44 H new ATOM 0 HD2 PRO A 53 10.148 3.062 6.829 1.00 22.12 H new ATOM 0 HD3 PRO A 53 9.512 4.571 7.452 1.00 22.12 H new ATOM 852 N LEU A 54 5.516 1.622 5.038 1.00 51.23 N ATOM 853 CA LEU A 54 5.160 0.582 4.066 1.00 70.34 C ATOM 854 C LEU A 54 4.378 1.193 2.909 1.00 15.11 C ATOM 855 O LEU A 54 4.038 2.374 2.921 1.00 20.23 O ATOM 856 CB LEU A 54 4.356 -0.582 4.740 1.00 50.21 C ATOM 857 CG LEU A 54 5.187 -1.867 5.037 1.00 51.00 C ATOM 858 CD1 LEU A 54 6.261 -1.631 6.120 1.00 33.13 C ATOM 859 CD2 LEU A 54 4.265 -3.055 5.367 1.00 21.20 C ATOM 0 H LEU A 54 4.710 2.120 5.417 1.00 51.23 H new ATOM 0 HA LEU A 54 6.081 0.151 3.674 1.00 70.34 H new ATOM 0 HB2 LEU A 54 3.932 -0.217 5.675 1.00 50.21 H new ATOM 0 HB3 LEU A 54 3.520 -0.849 4.093 1.00 50.21 H new ATOM 0 HG LEU A 54 5.733 -2.124 4.129 1.00 51.00 H new ATOM 0 HD11 LEU A 54 6.813 -2.555 6.292 1.00 33.13 H new ATOM 0 HD12 LEU A 54 6.949 -0.853 5.787 1.00 33.13 H new ATOM 0 HD13 LEU A 54 5.780 -1.318 7.047 1.00 33.13 H new ATOM 0 HD21 LEU A 54 4.869 -3.939 5.570 1.00 21.20 H new ATOM 0 HD22 LEU A 54 3.664 -2.816 6.245 1.00 21.20 H new ATOM 0 HD23 LEU A 54 3.608 -3.252 4.520 1.00 21.20 H new ATOM 871 N VAL A 55 4.110 0.349 1.909 1.00 62.14 N ATOM 872 CA VAL A 55 3.366 0.686 0.698 1.00 40.21 C ATOM 873 C VAL A 55 2.577 -0.570 0.291 1.00 40.10 C ATOM 874 O VAL A 55 3.169 -1.571 -0.144 1.00 14.24 O ATOM 875 CB VAL A 55 4.293 1.143 -0.497 1.00 61.43 C ATOM 876 CG1 VAL A 55 3.457 1.384 -1.769 1.00 43.21 C ATOM 877 CG2 VAL A 55 5.115 2.407 -0.146 1.00 43.51 C ATOM 0 H VAL A 55 4.418 -0.623 1.924 1.00 62.14 H new ATOM 0 HA VAL A 55 2.714 1.533 0.912 1.00 40.21 H new ATOM 0 HB VAL A 55 5.000 0.335 -0.683 1.00 61.43 H new ATOM 0 HG11 VAL A 55 4.113 1.698 -2.581 1.00 43.21 H new ATOM 0 HG12 VAL A 55 2.948 0.462 -2.050 1.00 43.21 H new ATOM 0 HG13 VAL A 55 2.719 2.163 -1.577 1.00 43.21 H new ATOM 0 HG21 VAL A 55 5.737 2.684 -0.997 1.00 43.51 H new ATOM 0 HG22 VAL A 55 4.438 3.227 0.091 1.00 43.51 H new ATOM 0 HG23 VAL A 55 5.750 2.201 0.716 1.00 43.51 H new ATOM 887 N VAL A 56 1.254 -0.537 0.485 1.00 34.11 N ATOM 888 CA VAL A 56 0.375 -1.671 0.173 1.00 62.24 C ATOM 889 C VAL A 56 -0.308 -1.466 -1.190 1.00 63.12 C ATOM 890 O VAL A 56 -1.179 -0.602 -1.340 1.00 23.34 O ATOM 891 CB VAL A 56 -0.677 -1.906 1.321 1.00 23.33 C ATOM 892 CG1 VAL A 56 -1.730 -2.970 0.934 1.00 64.22 C ATOM 893 CG2 VAL A 56 0.044 -2.305 2.629 1.00 62.31 C ATOM 0 H VAL A 56 0.763 0.274 0.862 1.00 34.11 H new ATOM 0 HA VAL A 56 0.986 -2.571 0.107 1.00 62.24 H new ATOM 0 HB VAL A 56 -1.210 -0.968 1.478 1.00 23.33 H new ATOM 0 HG11 VAL A 56 -2.435 -3.100 1.755 1.00 64.22 H new ATOM 0 HG12 VAL A 56 -2.267 -2.644 0.043 1.00 64.22 H new ATOM 0 HG13 VAL A 56 -1.232 -3.918 0.731 1.00 64.22 H new ATOM 0 HG21 VAL A 56 -0.693 -2.465 3.416 1.00 62.31 H new ATOM 0 HG22 VAL A 56 0.608 -3.224 2.468 1.00 62.31 H new ATOM 0 HG23 VAL A 56 0.726 -1.508 2.926 1.00 62.31 H new ATOM 903 N PHE A 57 0.121 -2.268 -2.173 1.00 2.25 N ATOM 904 CA PHE A 57 -0.461 -2.300 -3.517 1.00 52.12 C ATOM 905 C PHE A 57 -1.727 -3.168 -3.509 1.00 4.42 C ATOM 906 O PHE A 57 -1.648 -4.397 -3.386 1.00 64.31 O ATOM 907 CB PHE A 57 0.580 -2.848 -4.529 1.00 61.12 C ATOM 908 CG PHE A 57 1.739 -1.889 -4.779 1.00 61.03 C ATOM 909 CD1 PHE A 57 1.596 -0.840 -5.687 1.00 5.25 C ATOM 910 CD2 PHE A 57 2.955 -2.014 -4.103 1.00 20.12 C ATOM 911 CE1 PHE A 57 2.624 0.046 -5.910 1.00 4.14 C ATOM 912 CE2 PHE A 57 3.989 -1.123 -4.335 1.00 3.22 C ATOM 913 CZ PHE A 57 3.821 -0.093 -5.237 1.00 42.41 C ATOM 0 H PHE A 57 0.894 -2.922 -2.053 1.00 2.25 H new ATOM 0 HA PHE A 57 -0.735 -1.290 -3.822 1.00 52.12 H new ATOM 0 HB2 PHE A 57 0.974 -3.794 -4.158 1.00 61.12 H new ATOM 0 HB3 PHE A 57 0.081 -3.059 -5.475 1.00 61.12 H new ATOM 0 HD1 PHE A 57 0.665 -0.722 -6.222 1.00 5.25 H new ATOM 0 HD2 PHE A 57 3.090 -2.815 -3.391 1.00 20.12 H new ATOM 0 HE1 PHE A 57 2.494 0.854 -6.615 1.00 4.14 H new ATOM 0 HE2 PHE A 57 4.926 -1.234 -3.810 1.00 3.22 H new ATOM 0 HZ PHE A 57 4.626 0.604 -5.417 1.00 42.41 H new ATOM 923 N VAL A 58 -2.886 -2.517 -3.619 1.00 13.30 N ATOM 924 CA VAL A 58 -4.188 -3.188 -3.609 1.00 71.13 C ATOM 925 C VAL A 58 -4.418 -3.878 -4.969 1.00 72.12 C ATOM 926 O VAL A 58 -4.890 -3.266 -5.925 1.00 64.21 O ATOM 927 CB VAL A 58 -5.340 -2.170 -3.261 1.00 72.23 C ATOM 928 CG1 VAL A 58 -6.736 -2.831 -3.305 1.00 22.22 C ATOM 929 CG2 VAL A 58 -5.084 -1.523 -1.880 1.00 73.13 C ATOM 0 H VAL A 58 -2.949 -1.504 -3.718 1.00 13.30 H new ATOM 0 HA VAL A 58 -4.198 -3.952 -2.832 1.00 71.13 H new ATOM 0 HB VAL A 58 -5.332 -1.393 -4.025 1.00 72.23 H new ATOM 0 HG11 VAL A 58 -7.497 -2.091 -3.058 1.00 22.22 H new ATOM 0 HG12 VAL A 58 -6.922 -3.223 -4.305 1.00 22.22 H new ATOM 0 HG13 VAL A 58 -6.775 -3.646 -2.583 1.00 22.22 H new ATOM 0 HG21 VAL A 58 -5.887 -0.822 -1.652 1.00 73.13 H new ATOM 0 HG22 VAL A 58 -5.052 -2.299 -1.115 1.00 73.13 H new ATOM 0 HG23 VAL A 58 -4.133 -0.991 -1.898 1.00 73.13 H new ATOM 939 N ASN A 59 -3.993 -5.143 -5.055 1.00 12.54 N ATOM 940 CA ASN A 59 -4.136 -5.974 -6.261 1.00 55.31 C ATOM 941 C ASN A 59 -5.500 -6.683 -6.252 1.00 61.33 C ATOM 942 O ASN A 59 -5.661 -7.730 -5.625 1.00 35.41 O ATOM 943 CB ASN A 59 -2.952 -6.986 -6.349 1.00 3.02 C ATOM 944 CG ASN A 59 -3.115 -8.073 -7.432 1.00 35.11 C ATOM 945 OD1 ASN A 59 -3.577 -9.180 -7.153 1.00 2.44 O ATOM 946 ND2 ASN A 59 -2.761 -7.759 -8.668 1.00 32.20 N ATOM 0 H ASN A 59 -3.535 -5.626 -4.282 1.00 12.54 H new ATOM 0 HA ASN A 59 -4.100 -5.344 -7.150 1.00 55.31 H new ATOM 0 HB2 ASN A 59 -2.033 -6.433 -6.543 1.00 3.02 H new ATOM 0 HB3 ASN A 59 -2.834 -7.472 -5.380 1.00 3.02 H new ATOM 0 HD21 ASN A 59 -2.868 -8.442 -9.418 1.00 32.20 H new ATOM 0 HD22 ASN A 59 -2.381 -6.834 -8.870 1.00 32.20 H new ATOM 953 N GLY A 60 -6.506 -6.067 -6.889 1.00 51.35 N ATOM 954 CA GLY A 60 -7.808 -6.713 -7.097 1.00 10.40 C ATOM 955 C GLY A 60 -8.779 -6.587 -5.924 1.00 40.40 C ATOM 956 O GLY A 60 -9.996 -6.692 -6.124 1.00 63.00 O ATOM 0 H GLY A 60 -6.442 -5.122 -7.269 1.00 51.35 H new ATOM 0 HA2 GLY A 60 -8.274 -6.283 -7.984 1.00 10.40 H new ATOM 0 HA3 GLY A 60 -7.644 -7.771 -7.303 1.00 10.40 H new ATOM 960 N ALA A 61 -8.250 -6.390 -4.696 1.00 71.25 N ATOM 961 CA ALA A 61 -9.062 -6.306 -3.466 1.00 2.24 C ATOM 962 C ALA A 61 -10.054 -5.120 -3.527 1.00 51.34 C ATOM 963 O ALA A 61 -9.682 -4.013 -3.932 1.00 2.12 O ATOM 964 CB ALA A 61 -8.152 -6.207 -2.228 1.00 63.03 C ATOM 0 H ALA A 61 -7.249 -6.285 -4.532 1.00 71.25 H new ATOM 0 HA ALA A 61 -9.652 -7.219 -3.385 1.00 2.24 H new ATOM 0 HB1 ALA A 61 -8.766 -6.146 -1.329 1.00 63.03 H new ATOM 0 HB2 ALA A 61 -7.515 -7.090 -2.173 1.00 63.03 H new ATOM 0 HB3 ALA A 61 -7.530 -5.315 -2.304 1.00 63.03 H new ATOM 970 N SER A 62 -11.314 -5.376 -3.136 1.00 34.52 N ATOM 971 CA SER A 62 -12.413 -4.391 -3.207 1.00 15.13 C ATOM 972 C SER A 62 -12.340 -3.378 -2.050 1.00 64.04 C ATOM 973 O SER A 62 -11.520 -3.521 -1.131 1.00 11.52 O ATOM 974 CB SER A 62 -13.769 -5.133 -3.196 1.00 33.52 C ATOM 975 OG SER A 62 -13.868 -6.025 -4.296 1.00 51.43 O ATOM 0 H SER A 62 -11.603 -6.278 -2.759 1.00 34.52 H new ATOM 0 HA SER A 62 -12.314 -3.829 -4.135 1.00 15.13 H new ATOM 0 HB2 SER A 62 -13.878 -5.686 -2.263 1.00 33.52 H new ATOM 0 HB3 SER A 62 -14.584 -4.410 -3.235 1.00 33.52 H new ATOM 0 HG SER A 62 -14.733 -6.485 -4.268 1.00 51.43 H new ATOM 981 N GLN A 63 -13.224 -2.361 -2.103 1.00 72.41 N ATOM 982 CA GLN A 63 -13.295 -1.299 -1.084 1.00 5.23 C ATOM 983 C GLN A 63 -13.739 -1.864 0.282 1.00 23.13 C ATOM 984 O GLN A 63 -13.396 -1.302 1.311 1.00 70.30 O ATOM 985 CB GLN A 63 -14.229 -0.146 -1.551 1.00 22.45 C ATOM 986 CG GLN A 63 -14.315 1.059 -0.581 1.00 33.21 C ATOM 987 CD GLN A 63 -12.957 1.704 -0.271 1.00 53.31 C ATOM 988 OE1 GLN A 63 -12.049 1.738 -1.103 1.00 34.35 O ATOM 989 NE2 GLN A 63 -12.804 2.211 0.936 1.00 31.21 N ATOM 0 H GLN A 63 -13.907 -2.255 -2.853 1.00 72.41 H new ATOM 0 HA GLN A 63 -12.294 -0.887 -0.957 1.00 5.23 H new ATOM 0 HB2 GLN A 63 -13.883 0.211 -2.521 1.00 22.45 H new ATOM 0 HB3 GLN A 63 -15.232 -0.547 -1.698 1.00 22.45 H new ATOM 0 HG2 GLN A 63 -14.975 1.813 -1.011 1.00 33.21 H new ATOM 0 HG3 GLN A 63 -14.772 0.730 0.352 1.00 33.21 H new ATOM 0 HE21 GLN A 63 -13.571 2.171 1.607 1.00 31.21 H new ATOM 0 HE22 GLN A 63 -11.919 2.644 1.199 1.00 31.21 H new ATOM 998 N ASN A 64 -14.472 -2.998 0.264 1.00 32.40 N ATOM 999 CA ASN A 64 -14.855 -3.747 1.488 1.00 31.22 C ATOM 1000 C ASN A 64 -13.595 -4.146 2.286 1.00 53.23 C ATOM 1001 O ASN A 64 -13.538 -3.988 3.510 1.00 43.02 O ATOM 1002 CB ASN A 64 -15.661 -5.028 1.118 1.00 11.40 C ATOM 1003 CG ASN A 64 -16.996 -4.764 0.410 1.00 4.21 C ATOM 1004 OD1 ASN A 64 -17.169 -3.761 -0.279 1.00 13.10 O ATOM 1005 ND2 ASN A 64 -17.945 -5.682 0.552 1.00 70.24 N ATOM 0 H ASN A 64 -14.816 -3.423 -0.597 1.00 32.40 H new ATOM 0 HA ASN A 64 -15.481 -3.099 2.101 1.00 31.22 H new ATOM 0 HB2 ASN A 64 -15.043 -5.657 0.477 1.00 11.40 H new ATOM 0 HB3 ASN A 64 -15.854 -5.595 2.029 1.00 11.40 H new ATOM 0 HD21 ASN A 64 -18.843 -5.564 0.083 1.00 70.24 H new ATOM 0 HD22 ASN A 64 -17.776 -6.505 1.130 1.00 70.24 H new ATOM 1012 N ASP A 65 -12.576 -4.612 1.543 1.00 3.32 N ATOM 1013 CA ASP A 65 -11.297 -5.071 2.108 1.00 44.43 C ATOM 1014 C ASP A 65 -10.443 -3.869 2.542 1.00 11.41 C ATOM 1015 O ASP A 65 -9.787 -3.905 3.585 1.00 1.22 O ATOM 1016 CB ASP A 65 -10.516 -5.922 1.073 1.00 33.10 C ATOM 1017 CG ASP A 65 -11.362 -7.013 0.398 1.00 23.21 C ATOM 1018 OD1 ASP A 65 -12.103 -7.723 1.091 1.00 52.43 O ATOM 1019 OD2 ASP A 65 -11.292 -7.160 -0.830 1.00 74.43 O ATOM 0 H ASP A 65 -12.618 -4.681 0.526 1.00 3.32 H new ATOM 0 HA ASP A 65 -11.512 -5.689 2.980 1.00 44.43 H new ATOM 0 HB2 ASP A 65 -10.112 -5.262 0.305 1.00 33.10 H new ATOM 0 HB3 ASP A 65 -9.666 -6.390 1.570 1.00 33.10 H new ATOM 1024 N VAL A 66 -10.478 -2.801 1.719 1.00 2.45 N ATOM 1025 CA VAL A 66 -9.792 -1.523 2.005 1.00 71.12 C ATOM 1026 C VAL A 66 -10.343 -0.901 3.294 1.00 70.55 C ATOM 1027 O VAL A 66 -9.597 -0.297 4.062 1.00 32.34 O ATOM 1028 CB VAL A 66 -9.938 -0.527 0.792 1.00 72.41 C ATOM 1029 CG1 VAL A 66 -9.521 0.926 1.142 1.00 32.13 C ATOM 1030 CG2 VAL A 66 -9.137 -1.050 -0.422 1.00 62.33 C ATOM 0 H VAL A 66 -10.985 -2.800 0.834 1.00 2.45 H new ATOM 0 HA VAL A 66 -8.730 -1.724 2.147 1.00 71.12 H new ATOM 0 HB VAL A 66 -10.998 -0.486 0.539 1.00 72.41 H new ATOM 0 HG11 VAL A 66 -9.645 1.561 0.265 1.00 32.13 H new ATOM 0 HG12 VAL A 66 -10.148 1.299 1.952 1.00 32.13 H new ATOM 0 HG13 VAL A 66 -8.477 0.939 1.455 1.00 32.13 H new ATOM 0 HG21 VAL A 66 -9.244 -0.355 -1.255 1.00 62.33 H new ATOM 0 HG22 VAL A 66 -8.084 -1.135 -0.154 1.00 62.33 H new ATOM 0 HG23 VAL A 66 -9.517 -2.029 -0.715 1.00 62.33 H new ATOM 1040 N ASN A 67 -11.648 -1.083 3.531 1.00 72.32 N ATOM 1041 CA ASN A 67 -12.303 -0.633 4.766 1.00 70.24 C ATOM 1042 C ASN A 67 -11.802 -1.441 5.968 1.00 23.13 C ATOM 1043 O ASN A 67 -11.545 -0.864 7.015 1.00 74.04 O ATOM 1044 CB ASN A 67 -13.850 -0.706 4.652 1.00 53.05 C ATOM 1045 CG ASN A 67 -14.431 0.342 3.697 1.00 54.23 C ATOM 1046 OD1 ASN A 67 -13.902 1.452 3.570 1.00 41.42 O ATOM 1047 ND2 ASN A 67 -15.517 0.000 3.012 1.00 54.22 N ATOM 0 H ASN A 67 -12.278 -1.545 2.875 1.00 72.32 H new ATOM 0 HA ASN A 67 -12.038 0.413 4.920 1.00 70.24 H new ATOM 0 HB2 ASN A 67 -14.137 -1.700 4.309 1.00 53.05 H new ATOM 0 HB3 ASN A 67 -14.288 -0.571 5.641 1.00 53.05 H new ATOM 0 HD21 ASN A 67 -15.937 0.661 2.359 1.00 54.22 H new ATOM 0 HD22 ASN A 67 -15.930 -0.924 3.139 1.00 54.22 H new ATOM 1054 N GLU A 68 -11.621 -2.770 5.788 1.00 12.21 N ATOM 1055 CA GLU A 68 -11.045 -3.643 6.837 1.00 21.51 C ATOM 1056 C GLU A 68 -9.582 -3.259 7.134 1.00 22.43 C ATOM 1057 O GLU A 68 -9.130 -3.393 8.266 1.00 10.51 O ATOM 1058 CB GLU A 68 -11.141 -5.138 6.439 1.00 74.42 C ATOM 1059 CG GLU A 68 -12.581 -5.642 6.214 1.00 4.45 C ATOM 1060 CD GLU A 68 -12.663 -7.149 5.931 1.00 12.14 C ATOM 1061 OE1 GLU A 68 -12.211 -7.580 4.849 1.00 3.23 O ATOM 1062 OE2 GLU A 68 -13.174 -7.914 6.787 1.00 14.42 O ATOM 0 H GLU A 68 -11.865 -3.260 4.928 1.00 12.21 H new ATOM 0 HA GLU A 68 -11.631 -3.495 7.744 1.00 21.51 H new ATOM 0 HB2 GLU A 68 -10.566 -5.297 5.527 1.00 74.42 H new ATOM 0 HB3 GLU A 68 -10.675 -5.740 7.219 1.00 74.42 H new ATOM 0 HG2 GLU A 68 -13.180 -5.412 7.095 1.00 4.45 H new ATOM 0 HG3 GLU A 68 -13.022 -5.098 5.378 1.00 4.45 H new ATOM 1069 N PHE A 69 -8.863 -2.769 6.101 1.00 61.35 N ATOM 1070 CA PHE A 69 -7.493 -2.244 6.250 1.00 21.01 C ATOM 1071 C PHE A 69 -7.502 -1.019 7.167 1.00 50.51 C ATOM 1072 O PHE A 69 -6.810 -0.994 8.177 1.00 35.30 O ATOM 1073 CB PHE A 69 -6.871 -1.891 4.863 1.00 31.13 C ATOM 1074 CG PHE A 69 -5.467 -1.280 4.941 1.00 3.43 C ATOM 1075 CD1 PHE A 69 -4.335 -2.092 5.049 1.00 55.04 C ATOM 1076 CD2 PHE A 69 -5.280 0.109 4.931 1.00 54.31 C ATOM 1077 CE1 PHE A 69 -3.073 -1.537 5.145 1.00 24.52 C ATOM 1078 CE2 PHE A 69 -4.018 0.657 5.024 1.00 31.23 C ATOM 1079 CZ PHE A 69 -2.918 -0.164 5.133 1.00 32.31 C ATOM 0 H PHE A 69 -9.216 -2.727 5.145 1.00 61.35 H new ATOM 0 HA PHE A 69 -6.873 -3.019 6.701 1.00 21.01 H new ATOM 0 HB2 PHE A 69 -6.828 -2.795 4.256 1.00 31.13 H new ATOM 0 HB3 PHE A 69 -7.531 -1.192 4.349 1.00 31.13 H new ATOM 0 HD1 PHE A 69 -4.448 -3.166 5.058 1.00 55.04 H new ATOM 0 HD2 PHE A 69 -6.138 0.760 4.849 1.00 54.31 H new ATOM 0 HE1 PHE A 69 -2.207 -2.177 5.229 1.00 24.52 H new ATOM 0 HE2 PHE A 69 -3.892 1.730 5.011 1.00 31.23 H new ATOM 0 HZ PHE A 69 -1.931 0.267 5.209 1.00 32.31 H new ATOM 1089 N GLN A 70 -8.297 -0.019 6.769 1.00 3.41 N ATOM 1090 CA GLN A 70 -8.463 1.239 7.508 1.00 42.43 C ATOM 1091 C GLN A 70 -8.905 1.004 8.974 1.00 31.12 C ATOM 1092 O GLN A 70 -8.397 1.670 9.879 1.00 61.04 O ATOM 1093 CB GLN A 70 -9.469 2.145 6.745 1.00 2.34 C ATOM 1094 CG GLN A 70 -9.029 2.506 5.307 1.00 12.20 C ATOM 1095 CD GLN A 70 -10.070 3.316 4.529 1.00 73.42 C ATOM 1096 OE1 GLN A 70 -10.991 2.630 3.863 1.00 3.24 O flip ATOM 1097 NE2 GLN A 70 -10.057 4.547 4.540 1.00 33.35 N flip ATOM 0 H GLN A 70 -8.851 -0.061 5.913 1.00 3.41 H new ATOM 0 HA GLN A 70 -7.497 1.740 7.564 1.00 42.43 H new ATOM 0 HB2 GLN A 70 -10.435 1.641 6.702 1.00 2.34 H new ATOM 0 HB3 GLN A 70 -9.614 3.065 7.311 1.00 2.34 H new ATOM 0 HG2 GLN A 70 -8.100 3.074 5.353 1.00 12.20 H new ATOM 0 HG3 GLN A 70 -8.814 1.587 4.761 1.00 12.20 H new ATOM 0 HE21 GLN A 70 -9.336 5.045 5.062 1.00 33.35 H new ATOM 0 HE22 GLN A 70 -10.768 5.069 4.027 1.00 33.35 H new ATOM 1106 N ASN A 71 -9.805 0.019 9.185 1.00 54.20 N ATOM 1107 CA ASN A 71 -10.338 -0.327 10.521 1.00 52.11 C ATOM 1108 C ASN A 71 -9.250 -0.918 11.421 1.00 54.54 C ATOM 1109 O ASN A 71 -8.953 -0.362 12.494 1.00 64.24 O ATOM 1110 CB ASN A 71 -11.527 -1.325 10.422 1.00 73.11 C ATOM 1111 CG ASN A 71 -12.762 -0.748 9.736 1.00 73.21 C ATOM 1112 OD1 ASN A 71 -12.995 0.459 9.747 1.00 52.43 O ATOM 1113 ND2 ASN A 71 -13.571 -1.612 9.148 1.00 1.35 N ATOM 0 H ASN A 71 -10.182 -0.559 8.434 1.00 54.20 H new ATOM 0 HA ASN A 71 -10.697 0.602 10.964 1.00 52.11 H new ATOM 0 HB2 ASN A 71 -11.201 -2.211 9.877 1.00 73.11 H new ATOM 0 HB3 ASN A 71 -11.800 -1.651 11.426 1.00 73.11 H new ATOM 0 HD21 ASN A 71 -14.418 -1.284 8.685 1.00 1.35 H new ATOM 0 HD22 ASN A 71 -13.348 -2.607 9.157 1.00 1.35 H new ATOM 1120 N GLU A 72 -8.671 -2.059 10.986 1.00 23.34 N ATOM 1121 CA GLU A 72 -7.622 -2.750 11.746 1.00 25.11 C ATOM 1122 C GLU A 72 -6.423 -1.826 12.008 1.00 32.13 C ATOM 1123 O GLU A 72 -5.938 -1.774 13.126 1.00 20.22 O ATOM 1124 CB GLU A 72 -7.176 -4.058 11.052 1.00 10.43 C ATOM 1125 CG GLU A 72 -8.303 -5.082 10.800 1.00 40.21 C ATOM 1126 CD GLU A 72 -9.154 -5.425 12.041 1.00 33.23 C ATOM 1127 OE1 GLU A 72 -8.654 -6.126 12.941 1.00 61.32 O ATOM 1128 OE2 GLU A 72 -10.341 -5.012 12.108 1.00 14.23 O ATOM 0 H GLU A 72 -8.918 -2.517 10.109 1.00 23.34 H new ATOM 0 HA GLU A 72 -8.051 -3.024 12.710 1.00 25.11 H new ATOM 0 HB2 GLU A 72 -6.715 -3.806 10.097 1.00 10.43 H new ATOM 0 HB3 GLU A 72 -6.406 -4.531 11.662 1.00 10.43 H new ATOM 0 HG2 GLU A 72 -8.960 -4.694 10.022 1.00 40.21 H new ATOM 0 HG3 GLU A 72 -7.861 -6.001 10.415 1.00 40.21 H new ATOM 1135 N ALA A 73 -5.996 -1.059 10.995 1.00 13.22 N ATOM 1136 CA ALA A 73 -4.888 -0.097 11.135 1.00 61.41 C ATOM 1137 C ALA A 73 -5.148 0.925 12.267 1.00 41.02 C ATOM 1138 O ALA A 73 -4.372 0.999 13.222 1.00 63.45 O ATOM 1139 CB ALA A 73 -4.627 0.613 9.800 1.00 21.34 C ATOM 0 H ALA A 73 -6.404 -1.085 10.061 1.00 13.22 H new ATOM 0 HA ALA A 73 -3.995 -0.657 11.413 1.00 61.41 H new ATOM 0 HB1 ALA A 73 -3.806 1.320 9.918 1.00 21.34 H new ATOM 0 HB2 ALA A 73 -4.364 -0.124 9.041 1.00 21.34 H new ATOM 0 HB3 ALA A 73 -5.525 1.148 9.491 1.00 21.34 H new ATOM 1145 N LYS A 74 -6.271 1.660 12.170 1.00 2.50 N ATOM 1146 CA LYS A 74 -6.605 2.731 13.136 1.00 72.10 C ATOM 1147 C LYS A 74 -6.814 2.209 14.583 1.00 73.23 C ATOM 1148 O LYS A 74 -6.517 2.933 15.541 1.00 4.21 O ATOM 1149 CB LYS A 74 -7.831 3.557 12.654 1.00 54.01 C ATOM 1150 CG LYS A 74 -9.200 2.852 12.762 1.00 53.03 C ATOM 1151 CD LYS A 74 -10.324 3.583 11.990 1.00 33.52 C ATOM 1152 CE LYS A 74 -10.531 5.042 12.434 1.00 42.33 C ATOM 1153 NZ LYS A 74 -11.553 5.733 11.601 1.00 11.23 N ATOM 0 H LYS A 74 -6.965 1.534 11.433 1.00 2.50 H new ATOM 0 HA LYS A 74 -5.737 3.389 13.174 1.00 72.10 H new ATOM 0 HB2 LYS A 74 -7.873 4.481 13.231 1.00 54.01 H new ATOM 0 HB3 LYS A 74 -7.669 3.838 11.613 1.00 54.01 H new ATOM 0 HG2 LYS A 74 -9.109 1.835 12.381 1.00 53.03 H new ATOM 0 HG3 LYS A 74 -9.480 2.775 13.813 1.00 53.03 H new ATOM 0 HD2 LYS A 74 -10.092 3.566 10.925 1.00 33.52 H new ATOM 0 HD3 LYS A 74 -11.258 3.036 12.121 1.00 33.52 H new ATOM 0 HE2 LYS A 74 -10.839 5.064 13.479 1.00 42.33 H new ATOM 0 HE3 LYS A 74 -9.585 5.580 12.369 1.00 42.33 H new ATOM 0 HZ1 LYS A 74 -11.664 6.713 11.930 1.00 11.23 H new ATOM 0 HZ2 LYS A 74 -11.247 5.734 10.607 1.00 11.23 H new ATOM 0 HZ3 LYS A 74 -12.462 5.235 11.683 1.00 11.23 H new ATOM 1167 N LYS A 75 -7.284 0.947 14.749 1.00 2.22 N ATOM 1168 CA LYS A 75 -7.513 0.366 16.099 1.00 22.41 C ATOM 1169 C LYS A 75 -6.207 -0.228 16.671 1.00 32.21 C ATOM 1170 O LYS A 75 -6.050 -0.310 17.891 1.00 60.02 O ATOM 1171 CB LYS A 75 -8.630 -0.720 16.069 1.00 11.15 C ATOM 1172 CG LYS A 75 -8.228 -2.039 15.385 1.00 73.00 C ATOM 1173 CD LYS A 75 -9.343 -3.099 15.374 1.00 64.30 C ATOM 1174 CE LYS A 75 -10.596 -2.672 14.599 1.00 43.03 C ATOM 1175 NZ LYS A 75 -11.563 -3.793 14.481 1.00 10.30 N ATOM 0 H LYS A 75 -7.509 0.319 13.978 1.00 2.22 H new ATOM 0 HA LYS A 75 -7.844 1.175 16.750 1.00 22.41 H new ATOM 0 HB2 LYS A 75 -8.935 -0.936 17.093 1.00 11.15 H new ATOM 0 HB3 LYS A 75 -9.501 -0.312 15.556 1.00 11.15 H new ATOM 0 HG2 LYS A 75 -7.930 -1.828 14.358 1.00 73.00 H new ATOM 0 HG3 LYS A 75 -7.355 -2.449 15.893 1.00 73.00 H new ATOM 0 HD2 LYS A 75 -8.953 -4.018 14.937 1.00 64.30 H new ATOM 0 HD3 LYS A 75 -9.624 -3.328 16.402 1.00 64.30 H new ATOM 0 HE2 LYS A 75 -11.070 -1.831 15.105 1.00 43.03 H new ATOM 0 HE3 LYS A 75 -10.312 -2.327 13.605 1.00 43.03 H new ATOM 0 HZ1 LYS A 75 -12.522 -3.412 14.354 1.00 10.30 H new ATOM 0 HZ2 LYS A 75 -11.313 -4.382 13.661 1.00 10.30 H new ATOM 0 HZ3 LYS A 75 -11.532 -4.371 15.345 1.00 10.30 H new ATOM 1189 N GLU A 76 -5.290 -0.659 15.776 1.00 75.25 N ATOM 1190 CA GLU A 76 -3.962 -1.197 16.160 1.00 35.42 C ATOM 1191 C GLU A 76 -2.901 -0.078 16.224 1.00 74.34 C ATOM 1192 O GLU A 76 -1.727 -0.354 16.509 1.00 73.13 O ATOM 1193 CB GLU A 76 -3.513 -2.302 15.164 1.00 5.41 C ATOM 1194 CG GLU A 76 -4.433 -3.546 15.077 1.00 60.14 C ATOM 1195 CD GLU A 76 -4.702 -4.230 16.426 1.00 22.40 C ATOM 1196 OE1 GLU A 76 -3.871 -5.048 16.867 1.00 60.02 O ATOM 1197 OE2 GLU A 76 -5.754 -3.970 17.043 1.00 11.33 O ATOM 0 H GLU A 76 -5.448 -0.644 14.768 1.00 75.25 H new ATOM 0 HA GLU A 76 -4.056 -1.633 17.154 1.00 35.42 H new ATOM 0 HB2 GLU A 76 -3.437 -1.860 14.171 1.00 5.41 H new ATOM 0 HB3 GLU A 76 -2.513 -2.632 15.444 1.00 5.41 H new ATOM 0 HG2 GLU A 76 -5.385 -3.249 14.637 1.00 60.14 H new ATOM 0 HG3 GLU A 76 -3.981 -4.271 14.399 1.00 60.14 H new ATOM 1204 N GLY A 77 -3.312 1.167 15.919 1.00 0.33 N ATOM 1205 CA GLY A 77 -2.437 2.344 16.029 1.00 34.21 C ATOM 1206 C GLY A 77 -1.553 2.574 14.806 1.00 31.01 C ATOM 1207 O GLY A 77 -0.725 3.490 14.800 1.00 32.33 O ATOM 0 H GLY A 77 -4.254 1.382 15.592 1.00 0.33 H new ATOM 0 HA2 GLY A 77 -3.053 3.229 16.191 1.00 34.21 H new ATOM 0 HA3 GLY A 77 -1.802 2.232 16.908 1.00 34.21 H new ATOM 1211 N VAL A 78 -1.728 1.739 13.775 1.00 54.12 N ATOM 1212 CA VAL A 78 -0.992 1.840 12.508 1.00 31.21 C ATOM 1213 C VAL A 78 -1.537 3.016 11.669 1.00 62.54 C ATOM 1214 O VAL A 78 -2.745 3.096 11.411 1.00 10.50 O ATOM 1215 CB VAL A 78 -1.101 0.503 11.684 1.00 34.10 C ATOM 1216 CG1 VAL A 78 -0.354 0.595 10.329 1.00 0.41 C ATOM 1217 CG2 VAL A 78 -0.612 -0.700 12.526 1.00 11.23 C ATOM 0 H VAL A 78 -2.392 0.965 13.797 1.00 54.12 H new ATOM 0 HA VAL A 78 0.058 2.018 12.740 1.00 31.21 H new ATOM 0 HB VAL A 78 -2.153 0.344 11.449 1.00 34.10 H new ATOM 0 HG11 VAL A 78 -0.455 -0.349 9.793 1.00 0.41 H new ATOM 0 HG12 VAL A 78 -0.783 1.399 9.731 1.00 0.41 H new ATOM 0 HG13 VAL A 78 0.702 0.799 10.509 1.00 0.41 H new ATOM 0 HG21 VAL A 78 -0.696 -1.614 11.938 1.00 11.23 H new ATOM 0 HG22 VAL A 78 0.429 -0.546 12.811 1.00 11.23 H new ATOM 0 HG23 VAL A 78 -1.224 -0.789 13.423 1.00 11.23 H new ATOM 1227 N SER A 79 -0.633 3.920 11.262 1.00 64.24 N ATOM 1228 CA SER A 79 -0.966 5.070 10.407 1.00 12.40 C ATOM 1229 C SER A 79 -0.984 4.656 8.910 1.00 52.23 C ATOM 1230 O SER A 79 -0.387 3.635 8.542 1.00 2.15 O ATOM 1231 CB SER A 79 0.051 6.198 10.667 1.00 51.02 C ATOM 1232 OG SER A 79 0.070 6.567 12.041 1.00 53.02 O ATOM 0 H SER A 79 0.353 3.874 11.518 1.00 64.24 H new ATOM 0 HA SER A 79 -1.965 5.431 10.651 1.00 12.40 H new ATOM 0 HB2 SER A 79 1.045 5.872 10.361 1.00 51.02 H new ATOM 0 HB3 SER A 79 -0.201 7.066 10.058 1.00 51.02 H new ATOM 0 HG SER A 79 0.725 7.283 12.178 1.00 53.02 H new ATOM 1238 N TYR A 80 -1.675 5.452 8.061 1.00 65.14 N ATOM 1239 CA TYR A 80 -1.836 5.165 6.615 1.00 23.24 C ATOM 1240 C TYR A 80 -2.368 6.399 5.853 1.00 42.02 C ATOM 1241 O TYR A 80 -2.980 7.293 6.454 1.00 43.11 O ATOM 1242 CB TYR A 80 -2.797 3.951 6.391 1.00 22.40 C ATOM 1243 CG TYR A 80 -4.227 4.160 6.929 1.00 54.40 C ATOM 1244 CD1 TYR A 80 -4.547 3.871 8.260 1.00 64.44 C ATOM 1245 CD2 TYR A 80 -5.254 4.657 6.113 1.00 61.35 C ATOM 1246 CE1 TYR A 80 -5.824 4.066 8.751 1.00 24.34 C ATOM 1247 CE2 TYR A 80 -6.528 4.853 6.605 1.00 1.54 C ATOM 1248 CZ TYR A 80 -6.807 4.558 7.923 1.00 35.44 C ATOM 1249 OH TYR A 80 -8.084 4.756 8.415 1.00 23.03 O ATOM 0 H TYR A 80 -2.137 6.311 8.359 1.00 65.14 H new ATOM 0 HA TYR A 80 -0.851 4.914 6.222 1.00 23.24 H new ATOM 0 HB2 TYR A 80 -2.851 3.739 5.323 1.00 22.40 H new ATOM 0 HB3 TYR A 80 -2.367 3.071 6.869 1.00 22.40 H new ATOM 0 HD1 TYR A 80 -3.780 3.488 8.917 1.00 64.44 H new ATOM 0 HD2 TYR A 80 -5.043 4.891 5.080 1.00 61.35 H new ATOM 0 HE1 TYR A 80 -6.050 3.833 9.781 1.00 24.34 H new ATOM 0 HE2 TYR A 80 -7.305 5.236 5.960 1.00 1.54 H new ATOM 0 HH TYR A 80 -8.658 5.109 7.703 1.00 23.03 H new ATOM 1259 N ASP A 81 -2.122 6.428 4.527 1.00 14.51 N ATOM 1260 CA ASP A 81 -2.742 7.395 3.590 1.00 23.31 C ATOM 1261 C ASP A 81 -3.409 6.623 2.441 1.00 14.25 C ATOM 1262 O ASP A 81 -2.787 5.737 1.850 1.00 41.24 O ATOM 1263 CB ASP A 81 -1.689 8.376 2.998 1.00 21.02 C ATOM 1264 CG ASP A 81 -0.923 9.194 4.053 1.00 4.13 C ATOM 1265 OD1 ASP A 81 -1.569 9.881 4.881 1.00 71.53 O ATOM 1266 OD2 ASP A 81 0.332 9.170 4.057 1.00 40.02 O ATOM 0 H ASP A 81 -1.483 5.777 4.070 1.00 14.51 H new ATOM 0 HA ASP A 81 -3.478 7.979 4.143 1.00 23.31 H new ATOM 0 HB2 ASP A 81 -0.972 7.807 2.405 1.00 21.02 H new ATOM 0 HB3 ASP A 81 -2.192 9.063 2.317 1.00 21.02 H new ATOM 1271 N VAL A 82 -4.670 6.961 2.125 1.00 11.21 N ATOM 1272 CA VAL A 82 -5.419 6.329 1.022 1.00 64.40 C ATOM 1273 C VAL A 82 -5.132 7.088 -0.296 1.00 0.40 C ATOM 1274 O VAL A 82 -5.614 8.205 -0.502 1.00 42.14 O ATOM 1275 CB VAL A 82 -6.971 6.285 1.322 1.00 11.13 C ATOM 1276 CG1 VAL A 82 -7.756 5.618 0.162 1.00 32.30 C ATOM 1277 CG2 VAL A 82 -7.256 5.571 2.671 1.00 25.43 C ATOM 0 H VAL A 82 -5.199 7.677 2.624 1.00 11.21 H new ATOM 0 HA VAL A 82 -5.085 5.296 0.923 1.00 64.40 H new ATOM 0 HB VAL A 82 -7.320 7.314 1.404 1.00 11.13 H new ATOM 0 HG11 VAL A 82 -8.819 5.605 0.402 1.00 32.30 H new ATOM 0 HG12 VAL A 82 -7.598 6.184 -0.756 1.00 32.30 H new ATOM 0 HG13 VAL A 82 -7.403 4.596 0.024 1.00 32.30 H new ATOM 0 HG21 VAL A 82 -8.330 5.554 2.854 1.00 25.43 H new ATOM 0 HG22 VAL A 82 -6.879 4.549 2.629 1.00 25.43 H new ATOM 0 HG23 VAL A 82 -6.759 6.108 3.479 1.00 25.43 H new ATOM 1287 N LEU A 83 -4.288 6.485 -1.143 1.00 73.02 N ATOM 1288 CA LEU A 83 -3.922 7.014 -2.471 1.00 44.52 C ATOM 1289 C LEU A 83 -4.816 6.350 -3.529 1.00 53.22 C ATOM 1290 O LEU A 83 -4.806 5.129 -3.663 1.00 1.04 O ATOM 1291 CB LEU A 83 -2.414 6.720 -2.754 1.00 22.54 C ATOM 1292 CG LEU A 83 -1.831 7.194 -4.135 1.00 64.03 C ATOM 1293 CD1 LEU A 83 -1.890 8.728 -4.302 1.00 1.54 C ATOM 1294 CD2 LEU A 83 -0.388 6.664 -4.337 1.00 51.10 C ATOM 0 H LEU A 83 -3.830 5.600 -0.924 1.00 73.02 H new ATOM 0 HA LEU A 83 -4.071 8.093 -2.504 1.00 44.52 H new ATOM 0 HB2 LEU A 83 -1.826 7.185 -1.963 1.00 22.54 H new ATOM 0 HB3 LEU A 83 -2.260 5.644 -2.675 1.00 22.54 H new ATOM 0 HG LEU A 83 -2.465 6.769 -4.913 1.00 64.03 H new ATOM 0 HD11 LEU A 83 -1.476 9.005 -5.272 1.00 1.54 H new ATOM 0 HD12 LEU A 83 -2.926 9.061 -4.242 1.00 1.54 H new ATOM 0 HD13 LEU A 83 -1.310 9.203 -3.511 1.00 1.54 H new ATOM 0 HD21 LEU A 83 -0.006 7.005 -5.299 1.00 51.10 H new ATOM 0 HD22 LEU A 83 0.253 7.039 -3.539 1.00 51.10 H new ATOM 0 HD23 LEU A 83 -0.394 5.574 -4.315 1.00 51.10 H new ATOM 1306 N LYS A 84 -5.634 7.145 -4.236 1.00 51.51 N ATOM 1307 CA LYS A 84 -6.473 6.660 -5.348 1.00 5.45 C ATOM 1308 C LYS A 84 -6.187 7.503 -6.605 1.00 23.53 C ATOM 1309 O LYS A 84 -6.719 8.610 -6.763 1.00 30.11 O ATOM 1310 CB LYS A 84 -7.987 6.682 -4.974 1.00 13.53 C ATOM 1311 CG LYS A 84 -8.395 5.685 -3.860 1.00 31.03 C ATOM 1312 CD LYS A 84 -9.923 5.438 -3.811 1.00 62.44 C ATOM 1313 CE LYS A 84 -10.313 4.302 -2.851 1.00 61.24 C ATOM 1314 NZ LYS A 84 -11.738 3.905 -3.001 1.00 11.14 N ATOM 0 H LYS A 84 -5.734 8.144 -4.054 1.00 51.51 H new ATOM 0 HA LYS A 84 -6.220 5.620 -5.555 1.00 5.45 H new ATOM 0 HB2 LYS A 84 -8.254 7.690 -4.656 1.00 13.53 H new ATOM 0 HB3 LYS A 84 -8.571 6.465 -5.868 1.00 13.53 H new ATOM 0 HG2 LYS A 84 -7.883 4.737 -4.021 1.00 31.03 H new ATOM 0 HG3 LYS A 84 -8.062 6.068 -2.895 1.00 31.03 H new ATOM 0 HD2 LYS A 84 -10.425 6.355 -3.504 1.00 62.44 H new ATOM 0 HD3 LYS A 84 -10.280 5.199 -4.813 1.00 62.44 H new ATOM 0 HE2 LYS A 84 -9.675 3.437 -3.036 1.00 61.24 H new ATOM 0 HE3 LYS A 84 -10.132 4.618 -1.824 1.00 61.24 H new ATOM 0 HZ1 LYS A 84 -11.952 3.125 -2.347 1.00 11.14 H new ATOM 0 HZ2 LYS A 84 -12.350 4.718 -2.783 1.00 11.14 H new ATOM 0 HZ3 LYS A 84 -11.911 3.594 -3.978 1.00 11.14 H new ATOM 1328 N SER A 85 -5.324 6.960 -7.478 1.00 71.14 N ATOM 1329 CA SER A 85 -4.839 7.640 -8.696 1.00 55.40 C ATOM 1330 C SER A 85 -4.374 6.610 -9.743 1.00 2.50 C ATOM 1331 O SER A 85 -3.937 5.519 -9.381 1.00 25.42 O ATOM 1332 CB SER A 85 -3.677 8.613 -8.342 1.00 3.11 C ATOM 1333 OG SER A 85 -4.106 9.648 -7.470 1.00 20.04 O ATOM 0 H SER A 85 -4.937 6.024 -7.359 1.00 71.14 H new ATOM 0 HA SER A 85 -5.661 8.215 -9.121 1.00 55.40 H new ATOM 0 HB2 SER A 85 -2.866 8.056 -7.874 1.00 3.11 H new ATOM 0 HB3 SER A 85 -3.277 9.050 -9.257 1.00 3.11 H new ATOM 0 HG SER A 85 -3.351 10.239 -7.267 1.00 20.04 H new ATOM 1339 N THR A 86 -4.482 6.965 -11.035 1.00 44.31 N ATOM 1340 CA THR A 86 -3.996 6.140 -12.159 1.00 45.32 C ATOM 1341 C THR A 86 -2.947 6.928 -12.972 1.00 32.44 C ATOM 1342 O THR A 86 -3.312 7.851 -13.711 1.00 35.22 O ATOM 1343 CB THR A 86 -5.181 5.689 -13.099 1.00 0.41 C ATOM 1344 OG1 THR A 86 -6.020 6.818 -13.422 1.00 61.10 O ATOM 1345 CG2 THR A 86 -6.044 4.585 -12.467 1.00 51.42 C ATOM 0 H THR A 86 -4.913 7.840 -11.333 1.00 44.31 H new ATOM 0 HA THR A 86 -3.537 5.242 -11.745 1.00 45.32 H new ATOM 0 HB THR A 86 -4.728 5.285 -14.004 1.00 0.41 H new ATOM 0 HG1 THR A 86 -5.459 7.596 -13.624 1.00 61.10 H new ATOM 0 HG21 THR A 86 -6.845 4.311 -13.154 1.00 51.42 H new ATOM 0 HG22 THR A 86 -5.425 3.711 -12.264 1.00 51.42 H new ATOM 0 HG23 THR A 86 -6.475 4.949 -11.534 1.00 51.42 H new ATOM 1353 N ASP A 87 -1.653 6.568 -12.807 1.00 0.41 N ATOM 1354 CA ASP A 87 -0.530 7.146 -13.580 1.00 34.14 C ATOM 1355 C ASP A 87 0.753 6.332 -13.266 1.00 13.13 C ATOM 1356 O ASP A 87 1.291 6.466 -12.168 1.00 70.43 O ATOM 1357 CB ASP A 87 -0.325 8.652 -13.240 1.00 2.32 C ATOM 1358 CG ASP A 87 0.633 9.371 -14.200 1.00 13.42 C ATOM 1359 OD1 ASP A 87 1.851 9.259 -14.022 1.00 53.31 O ATOM 1360 OD2 ASP A 87 0.168 10.043 -15.151 1.00 11.11 O ATOM 0 H ASP A 87 -1.358 5.865 -12.130 1.00 0.41 H new ATOM 0 HA ASP A 87 -0.756 7.087 -14.645 1.00 34.14 H new ATOM 0 HB2 ASP A 87 -1.292 9.156 -13.259 1.00 2.32 H new ATOM 0 HB3 ASP A 87 0.059 8.738 -12.224 1.00 2.32 H new ATOM 1365 N PRO A 88 1.251 5.462 -14.210 1.00 73.20 N ATOM 1366 CA PRO A 88 2.389 4.527 -13.949 1.00 62.45 C ATOM 1367 C PRO A 88 3.695 5.188 -13.427 1.00 74.13 C ATOM 1368 O PRO A 88 4.434 4.552 -12.669 1.00 32.14 O ATOM 1369 CB PRO A 88 2.613 3.810 -15.316 1.00 22.21 C ATOM 1370 CG PRO A 88 1.865 4.629 -16.330 1.00 23.24 C ATOM 1371 CD PRO A 88 0.713 5.271 -15.587 1.00 64.13 C ATOM 0 HA PRO A 88 2.134 3.852 -13.132 1.00 62.45 H new ATOM 0 HB2 PRO A 88 3.674 3.756 -15.561 1.00 22.21 H new ATOM 0 HB3 PRO A 88 2.240 2.786 -15.287 1.00 22.21 H new ATOM 0 HG2 PRO A 88 2.512 5.386 -16.773 1.00 23.24 H new ATOM 0 HG3 PRO A 88 1.502 4.003 -17.145 1.00 23.24 H new ATOM 0 HD2 PRO A 88 0.422 6.219 -16.039 1.00 64.13 H new ATOM 0 HD3 PRO A 88 -0.171 4.633 -15.588 1.00 64.13 H new ATOM 1379 N GLU A 89 3.990 6.446 -13.827 1.00 64.31 N ATOM 1380 CA GLU A 89 5.237 7.131 -13.386 1.00 13.55 C ATOM 1381 C GLU A 89 5.027 7.888 -12.049 1.00 12.02 C ATOM 1382 O GLU A 89 5.924 7.901 -11.194 1.00 55.34 O ATOM 1383 CB GLU A 89 5.803 8.075 -14.488 1.00 34.40 C ATOM 1384 CG GLU A 89 4.908 9.264 -14.854 1.00 4.24 C ATOM 1385 CD GLU A 89 5.499 10.181 -15.930 1.00 33.44 C ATOM 1386 OE1 GLU A 89 5.343 9.879 -17.137 1.00 61.34 O ATOM 1387 OE2 GLU A 89 6.131 11.202 -15.572 1.00 70.33 O ATOM 0 H GLU A 89 3.397 7.003 -14.443 1.00 64.31 H new ATOM 0 HA GLU A 89 5.982 6.355 -13.213 1.00 13.55 H new ATOM 0 HB2 GLU A 89 6.768 8.457 -14.156 1.00 34.40 H new ATOM 0 HB3 GLU A 89 5.985 7.488 -15.388 1.00 34.40 H new ATOM 0 HG2 GLU A 89 3.945 8.888 -15.200 1.00 4.24 H new ATOM 0 HG3 GLU A 89 4.716 9.851 -13.956 1.00 4.24 H new ATOM 1394 N GLU A 90 3.837 8.507 -11.864 1.00 3.51 N ATOM 1395 CA GLU A 90 3.548 9.313 -10.659 1.00 40.23 C ATOM 1396 C GLU A 90 3.304 8.414 -9.438 1.00 53.54 C ATOM 1397 O GLU A 90 3.780 8.714 -8.349 1.00 31.41 O ATOM 1398 CB GLU A 90 2.357 10.281 -10.865 1.00 44.03 C ATOM 1399 CG GLU A 90 2.066 11.178 -9.637 1.00 1.45 C ATOM 1400 CD GLU A 90 0.891 12.148 -9.818 1.00 61.23 C ATOM 1401 OE1 GLU A 90 -0.258 11.671 -9.930 1.00 14.31 O ATOM 1402 OE2 GLU A 90 1.104 13.381 -9.820 1.00 13.04 O ATOM 0 H GLU A 90 3.067 8.463 -12.531 1.00 3.51 H new ATOM 0 HA GLU A 90 4.432 9.923 -10.474 1.00 40.23 H new ATOM 0 HB2 GLU A 90 2.561 10.916 -11.728 1.00 44.03 H new ATOM 0 HB3 GLU A 90 1.465 9.701 -11.100 1.00 44.03 H new ATOM 0 HG2 GLU A 90 1.864 10.539 -8.777 1.00 1.45 H new ATOM 0 HG3 GLU A 90 2.962 11.753 -9.403 1.00 1.45 H new ATOM 1409 N LEU A 91 2.600 7.291 -9.635 1.00 64.33 N ATOM 1410 CA LEU A 91 2.365 6.314 -8.551 1.00 11.33 C ATOM 1411 C LEU A 91 3.717 5.785 -8.014 1.00 13.43 C ATOM 1412 O LEU A 91 3.888 5.642 -6.809 1.00 53.40 O ATOM 1413 CB LEU A 91 1.454 5.144 -9.026 1.00 12.22 C ATOM 1414 CG LEU A 91 -0.059 5.472 -9.249 1.00 21.44 C ATOM 1415 CD1 LEU A 91 -0.812 4.253 -9.822 1.00 63.23 C ATOM 1416 CD2 LEU A 91 -0.725 5.967 -7.946 1.00 23.44 C ATOM 0 H LEU A 91 2.183 7.033 -10.529 1.00 64.33 H new ATOM 0 HA LEU A 91 1.841 6.820 -7.741 1.00 11.33 H new ATOM 0 HB2 LEU A 91 1.859 4.757 -9.961 1.00 12.22 H new ATOM 0 HB3 LEU A 91 1.523 4.341 -8.292 1.00 12.22 H new ATOM 0 HG LEU A 91 -0.116 6.279 -9.979 1.00 21.44 H new ATOM 0 HD11 LEU A 91 -1.862 4.509 -9.967 1.00 63.23 H new ATOM 0 HD12 LEU A 91 -0.372 3.970 -10.778 1.00 63.23 H new ATOM 0 HD13 LEU A 91 -0.735 3.418 -9.126 1.00 63.23 H new ATOM 0 HD21 LEU A 91 -1.776 6.186 -8.135 1.00 23.44 H new ATOM 0 HD22 LEU A 91 -0.647 5.194 -7.181 1.00 23.44 H new ATOM 0 HD23 LEU A 91 -0.222 6.870 -7.601 1.00 23.44 H new ATOM 1428 N THR A 92 4.689 5.583 -8.934 1.00 54.33 N ATOM 1429 CA THR A 92 6.045 5.105 -8.595 1.00 11.42 C ATOM 1430 C THR A 92 6.817 6.145 -7.750 1.00 71.20 C ATOM 1431 O THR A 92 7.488 5.775 -6.774 1.00 53.33 O ATOM 1432 CB THR A 92 6.845 4.738 -9.891 1.00 70.30 C ATOM 1433 OG1 THR A 92 6.122 3.749 -10.640 1.00 40.13 O ATOM 1434 CG2 THR A 92 8.256 4.188 -9.594 1.00 40.43 C ATOM 0 H THR A 92 4.553 5.748 -9.931 1.00 54.33 H new ATOM 0 HA THR A 92 5.936 4.204 -7.991 1.00 11.42 H new ATOM 0 HB THR A 92 6.959 5.662 -10.458 1.00 70.30 H new ATOM 0 HG1 THR A 92 5.582 4.190 -11.328 1.00 40.13 H new ATOM 0 HG21 THR A 92 8.759 3.952 -10.532 1.00 40.43 H new ATOM 0 HG22 THR A 92 8.832 4.938 -9.051 1.00 40.43 H new ATOM 0 HG23 THR A 92 8.175 3.285 -8.989 1.00 40.43 H new ATOM 1442 N GLN A 93 6.691 7.447 -8.103 1.00 70.13 N ATOM 1443 CA GLN A 93 7.387 8.522 -7.366 1.00 54.03 C ATOM 1444 C GLN A 93 6.755 8.754 -5.985 1.00 61.34 C ATOM 1445 O GLN A 93 7.457 9.160 -5.072 1.00 24.22 O ATOM 1446 CB GLN A 93 7.474 9.847 -8.173 1.00 51.54 C ATOM 1447 CG GLN A 93 6.152 10.607 -8.359 1.00 62.11 C ATOM 1448 CD GLN A 93 6.283 11.859 -9.222 1.00 53.42 C ATOM 1449 OE1 GLN A 93 6.178 11.698 -10.532 1.00 62.13 O flip ATOM 1450 NE2 GLN A 93 6.511 12.959 -8.718 1.00 54.14 N flip ATOM 0 H GLN A 93 6.121 7.772 -8.884 1.00 70.13 H new ATOM 0 HA GLN A 93 8.411 8.180 -7.218 1.00 54.03 H new ATOM 0 HB2 GLN A 93 8.183 10.508 -7.675 1.00 51.54 H new ATOM 0 HB3 GLN A 93 7.884 9.624 -9.158 1.00 51.54 H new ATOM 0 HG2 GLN A 93 5.419 9.939 -8.812 1.00 62.11 H new ATOM 0 HG3 GLN A 93 5.764 10.889 -7.380 1.00 62.11 H new ATOM 0 HE21 GLN A 93 6.586 13.050 -7.705 1.00 54.14 H new ATOM 0 HE22 GLN A 93 6.625 13.779 -9.314 1.00 54.14 H new ATOM 1459 N ARG A 94 5.436 8.461 -5.839 1.00 0.55 N ATOM 1460 CA ARG A 94 4.726 8.589 -4.548 1.00 31.33 C ATOM 1461 C ARG A 94 5.213 7.503 -3.570 1.00 40.23 C ATOM 1462 O ARG A 94 5.523 7.791 -2.410 1.00 41.41 O ATOM 1463 CB ARG A 94 3.182 8.498 -4.732 1.00 0.25 C ATOM 1464 CG ARG A 94 2.556 9.597 -5.623 1.00 15.12 C ATOM 1465 CD ARG A 94 2.885 11.026 -5.159 1.00 11.23 C ATOM 1466 NE ARG A 94 2.384 12.035 -6.105 1.00 51.31 N ATOM 1467 CZ ARG A 94 2.926 13.245 -6.314 1.00 21.23 C ATOM 1468 NH1 ARG A 94 4.009 13.643 -5.647 1.00 15.35 N ATOM 1469 NH2 ARG A 94 2.377 14.059 -7.199 1.00 22.42 N ATOM 0 H ARG A 94 4.846 8.134 -6.604 1.00 0.55 H new ATOM 0 HA ARG A 94 4.952 9.573 -4.136 1.00 31.33 H new ATOM 0 HB2 ARG A 94 2.940 7.525 -5.160 1.00 0.25 H new ATOM 0 HB3 ARG A 94 2.713 8.539 -3.749 1.00 0.25 H new ATOM 0 HG2 ARG A 94 2.906 9.467 -6.647 1.00 15.12 H new ATOM 0 HG3 ARG A 94 1.474 9.469 -5.638 1.00 15.12 H new ATOM 0 HD2 ARG A 94 2.447 11.199 -4.176 1.00 11.23 H new ATOM 0 HD3 ARG A 94 3.964 11.134 -5.050 1.00 11.23 H new ATOM 0 HE ARG A 94 1.555 11.795 -6.648 1.00 51.31 H new ATOM 0 HH11 ARG A 94 4.442 13.024 -4.962 1.00 15.35 H new ATOM 0 HH12 ARG A 94 4.405 14.567 -5.821 1.00 15.35 H new ATOM 0 HH21 ARG A 94 1.548 13.766 -7.716 1.00 22.42 H new ATOM 0 HH22 ARG A 94 2.782 14.980 -7.364 1.00 22.42 H new ATOM 1483 N VAL A 95 5.284 6.259 -4.076 1.00 71.33 N ATOM 1484 CA VAL A 95 5.792 5.088 -3.333 1.00 45.04 C ATOM 1485 C VAL A 95 7.208 5.354 -2.788 1.00 73.14 C ATOM 1486 O VAL A 95 7.451 5.293 -1.570 1.00 5.24 O ATOM 1487 CB VAL A 95 5.799 3.820 -4.278 1.00 2.02 C ATOM 1488 CG1 VAL A 95 6.557 2.614 -3.667 1.00 45.33 C ATOM 1489 CG2 VAL A 95 4.357 3.429 -4.668 1.00 25.34 C ATOM 0 H VAL A 95 4.986 6.034 -5.025 1.00 71.33 H new ATOM 0 HA VAL A 95 5.133 4.902 -2.485 1.00 45.04 H new ATOM 0 HB VAL A 95 6.346 4.100 -5.178 1.00 2.02 H new ATOM 0 HG11 VAL A 95 6.527 1.775 -4.362 1.00 45.33 H new ATOM 0 HG12 VAL A 95 7.594 2.893 -3.480 1.00 45.33 H new ATOM 0 HG13 VAL A 95 6.084 2.325 -2.729 1.00 45.33 H new ATOM 0 HG21 VAL A 95 4.380 2.555 -5.318 1.00 25.34 H new ATOM 0 HG22 VAL A 95 3.787 3.197 -3.768 1.00 25.34 H new ATOM 0 HG23 VAL A 95 3.884 4.259 -5.193 1.00 25.34 H new ATOM 1499 N ARG A 96 8.115 5.723 -3.709 1.00 73.43 N ATOM 1500 CA ARG A 96 9.542 5.822 -3.412 1.00 64.11 C ATOM 1501 C ARG A 96 9.854 7.028 -2.496 1.00 73.43 C ATOM 1502 O ARG A 96 10.678 6.903 -1.588 1.00 2.22 O ATOM 1503 CB ARG A 96 10.380 5.844 -4.725 1.00 11.22 C ATOM 1504 CG ARG A 96 10.341 7.157 -5.538 1.00 64.53 C ATOM 1505 CD ARG A 96 10.961 7.011 -6.944 1.00 43.14 C ATOM 1506 NE ARG A 96 12.304 6.394 -6.920 1.00 34.10 N ATOM 1507 CZ ARG A 96 13.459 7.005 -7.241 1.00 11.24 C ATOM 1508 NH1 ARG A 96 13.486 8.287 -7.623 1.00 13.13 N ATOM 1509 NH2 ARG A 96 14.588 6.315 -7.186 1.00 73.14 N ATOM 0 H ARG A 96 7.875 5.958 -4.672 1.00 73.43 H new ATOM 0 HA ARG A 96 9.833 4.931 -2.855 1.00 64.11 H new ATOM 0 HB2 ARG A 96 11.418 5.628 -4.472 1.00 11.22 H new ATOM 0 HB3 ARG A 96 10.033 5.034 -5.366 1.00 11.22 H new ATOM 0 HG2 ARG A 96 9.307 7.488 -5.635 1.00 64.53 H new ATOM 0 HG3 ARG A 96 10.874 7.934 -4.990 1.00 64.53 H new ATOM 0 HD2 ARG A 96 10.300 6.407 -7.566 1.00 43.14 H new ATOM 0 HD3 ARG A 96 11.027 7.994 -7.410 1.00 43.14 H new ATOM 0 HE ARG A 96 12.360 5.416 -6.634 1.00 34.10 H new ATOM 0 HH11 ARG A 96 12.619 8.822 -7.676 1.00 13.13 H new ATOM 0 HH12 ARG A 96 14.374 8.729 -7.862 1.00 13.13 H new ATOM 0 HH21 ARG A 96 14.574 5.335 -6.903 1.00 73.14 H new ATOM 0 HH22 ARG A 96 15.472 6.764 -7.426 1.00 73.14 H new ATOM 1523 N GLU A 97 9.156 8.180 -2.713 1.00 71.33 N ATOM 1524 CA GLU A 97 9.373 9.400 -1.894 1.00 42.15 C ATOM 1525 C GLU A 97 8.854 9.189 -0.466 1.00 61.34 C ATOM 1526 O GLU A 97 9.433 9.713 0.481 1.00 33.41 O ATOM 1527 CB GLU A 97 8.700 10.670 -2.506 1.00 63.23 C ATOM 1528 CG GLU A 97 7.153 10.709 -2.397 1.00 41.42 C ATOM 1529 CD GLU A 97 6.528 12.030 -2.842 1.00 61.00 C ATOM 1530 OE1 GLU A 97 6.586 13.008 -2.069 1.00 44.24 O ATOM 1531 OE2 GLU A 97 5.950 12.100 -3.947 1.00 3.13 O ATOM 0 H GLU A 97 8.448 8.285 -3.440 1.00 71.33 H new ATOM 0 HA GLU A 97 10.449 9.572 -1.880 1.00 42.15 H new ATOM 0 HB2 GLU A 97 9.106 11.552 -2.011 1.00 63.23 H new ATOM 0 HB3 GLU A 97 8.977 10.738 -3.558 1.00 63.23 H new ATOM 0 HG2 GLU A 97 6.737 9.902 -3.000 1.00 41.42 H new ATOM 0 HG3 GLU A 97 6.868 10.515 -1.363 1.00 41.42 H new ATOM 1538 N PHE A 98 7.750 8.416 -0.327 1.00 55.41 N ATOM 1539 CA PHE A 98 7.138 8.100 0.976 1.00 1.35 C ATOM 1540 C PHE A 98 8.110 7.272 1.825 1.00 22.14 C ATOM 1541 O PHE A 98 8.284 7.520 3.021 1.00 2.22 O ATOM 1542 CB PHE A 98 5.812 7.331 0.748 1.00 74.31 C ATOM 1543 CG PHE A 98 5.031 7.005 2.019 1.00 63.51 C ATOM 1544 CD1 PHE A 98 4.254 7.983 2.648 1.00 41.14 C ATOM 1545 CD2 PHE A 98 5.069 5.729 2.590 1.00 74.51 C ATOM 1546 CE1 PHE A 98 3.547 7.695 3.797 1.00 61.33 C ATOM 1547 CE2 PHE A 98 4.361 5.450 3.738 1.00 41.42 C ATOM 1548 CZ PHE A 98 3.603 6.430 4.339 1.00 25.24 C ATOM 0 H PHE A 98 7.262 7.996 -1.119 1.00 55.41 H new ATOM 0 HA PHE A 98 6.921 9.024 1.513 1.00 1.35 H new ATOM 0 HB2 PHE A 98 5.175 7.921 0.089 1.00 74.31 H new ATOM 0 HB3 PHE A 98 6.034 6.400 0.227 1.00 74.31 H new ATOM 0 HD1 PHE A 98 4.207 8.977 2.229 1.00 41.14 H new ATOM 0 HD2 PHE A 98 5.660 4.954 2.126 1.00 74.51 H new ATOM 0 HE1 PHE A 98 2.950 8.460 4.271 1.00 61.33 H new ATOM 0 HE2 PHE A 98 4.400 4.460 4.168 1.00 41.42 H new ATOM 0 HZ PHE A 98 3.050 6.206 5.239 1.00 25.24 H new ATOM 1558 N LEU A 99 8.757 6.301 1.168 1.00 43.01 N ATOM 1559 CA LEU A 99 9.772 5.446 1.798 1.00 4.12 C ATOM 1560 C LEU A 99 11.069 6.233 2.119 1.00 10.42 C ATOM 1561 O LEU A 99 11.866 5.791 2.947 1.00 24.41 O ATOM 1562 CB LEU A 99 10.053 4.221 0.884 1.00 54.22 C ATOM 1563 CG LEU A 99 8.831 3.273 0.637 1.00 23.51 C ATOM 1564 CD1 LEU A 99 9.156 2.187 -0.407 1.00 53.43 C ATOM 1565 CD2 LEU A 99 8.326 2.647 1.956 1.00 22.42 C ATOM 0 H LEU A 99 8.592 6.086 0.185 1.00 43.01 H new ATOM 0 HA LEU A 99 9.387 5.091 2.754 1.00 4.12 H new ATOM 0 HB2 LEU A 99 10.411 4.583 -0.080 1.00 54.22 H new ATOM 0 HB3 LEU A 99 10.861 3.637 1.326 1.00 54.22 H new ATOM 0 HG LEU A 99 8.025 3.885 0.232 1.00 23.51 H new ATOM 0 HD11 LEU A 99 8.284 1.549 -0.552 1.00 53.43 H new ATOM 0 HD12 LEU A 99 9.421 2.659 -1.353 1.00 53.43 H new ATOM 0 HD13 LEU A 99 9.993 1.584 -0.056 1.00 53.43 H new ATOM 0 HD21 LEU A 99 7.478 1.995 1.748 1.00 22.42 H new ATOM 0 HD22 LEU A 99 9.127 2.066 2.413 1.00 22.42 H new ATOM 0 HD23 LEU A 99 8.017 3.438 2.639 1.00 22.42 H new ATOM 1577 N LYS A 100 11.274 7.387 1.452 1.00 21.32 N ATOM 1578 CA LYS A 100 12.439 8.274 1.695 1.00 74.21 C ATOM 1579 C LYS A 100 12.167 9.276 2.841 1.00 32.13 C ATOM 1580 O LYS A 100 13.060 9.555 3.646 1.00 44.32 O ATOM 1581 CB LYS A 100 12.830 9.036 0.392 1.00 61.10 C ATOM 1582 CG LYS A 100 13.493 8.162 -0.700 1.00 35.44 C ATOM 1583 CD LYS A 100 14.869 7.600 -0.269 1.00 4.10 C ATOM 1584 CE LYS A 100 15.494 6.671 -1.325 1.00 12.21 C ATOM 1585 NZ LYS A 100 14.652 5.476 -1.593 1.00 11.22 N ATOM 0 H LYS A 100 10.641 7.733 0.731 1.00 21.32 H new ATOM 0 HA LYS A 100 13.273 7.641 1.998 1.00 74.21 H new ATOM 0 HB2 LYS A 100 11.934 9.496 -0.025 1.00 61.10 H new ATOM 0 HB3 LYS A 100 13.512 9.846 0.653 1.00 61.10 H new ATOM 0 HG2 LYS A 100 12.829 7.334 -0.948 1.00 35.44 H new ATOM 0 HG3 LYS A 100 13.616 8.754 -1.607 1.00 35.44 H new ATOM 0 HD2 LYS A 100 15.549 8.429 -0.073 1.00 4.10 H new ATOM 0 HD3 LYS A 100 14.755 7.053 0.667 1.00 4.10 H new ATOM 0 HE2 LYS A 100 15.640 7.225 -2.252 1.00 12.21 H new ATOM 0 HE3 LYS A 100 16.479 6.350 -0.986 1.00 12.21 H new ATOM 0 HZ1 LYS A 100 15.178 4.808 -2.191 1.00 11.22 H new ATOM 0 HZ2 LYS A 100 14.406 5.016 -0.693 1.00 11.22 H new ATOM 0 HZ3 LYS A 100 13.782 5.767 -2.082 1.00 11.22 H new ATOM 1599 N THR A 101 10.931 9.800 2.922 1.00 74.11 N ATOM 1600 CA THR A 101 10.582 10.902 3.845 1.00 61.01 C ATOM 1601 C THR A 101 10.139 10.336 5.208 1.00 73.42 C ATOM 1602 O THR A 101 10.617 10.777 6.258 1.00 71.51 O ATOM 1603 CB THR A 101 9.467 11.812 3.221 1.00 31.20 C ATOM 1604 OG1 THR A 101 8.368 10.997 2.773 1.00 15.01 O ATOM 1605 CG2 THR A 101 9.999 12.653 2.036 1.00 71.01 C ATOM 0 H THR A 101 10.148 9.476 2.354 1.00 74.11 H new ATOM 0 HA THR A 101 11.466 11.519 4.004 1.00 61.01 H new ATOM 0 HB THR A 101 9.134 12.501 3.997 1.00 31.20 H new ATOM 0 HG1 THR A 101 8.605 10.564 1.926 1.00 15.01 H new ATOM 0 HG21 THR A 101 9.193 13.268 1.635 1.00 71.01 H new ATOM 0 HG22 THR A 101 10.809 13.296 2.381 1.00 71.01 H new ATOM 0 HG23 THR A 101 10.371 11.988 1.256 1.00 71.01 H new ATOM 1613 N ALA A 102 9.223 9.347 5.176 1.00 11.21 N ATOM 1614 CA ALA A 102 8.797 8.606 6.384 1.00 52.35 C ATOM 1615 C ALA A 102 9.850 7.557 6.787 1.00 12.10 C ATOM 1616 O ALA A 102 9.840 7.073 7.924 1.00 3.41 O ATOM 1617 CB ALA A 102 7.432 7.941 6.161 1.00 35.52 C ATOM 0 H ALA A 102 8.760 9.040 4.320 1.00 11.21 H new ATOM 0 HA ALA A 102 8.701 9.322 7.200 1.00 52.35 H new ATOM 0 HB1 ALA A 102 7.138 7.402 7.062 1.00 35.52 H new ATOM 0 HB2 ALA A 102 6.688 8.705 5.936 1.00 35.52 H new ATOM 0 HB3 ALA A 102 7.499 7.243 5.326 1.00 35.52 H new