USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 90 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Set 2.1: A 29 TYR OH : rot 158:sc= 0.593 USER MOD Set 2.2: A 97 THR OG1 : rot 139:sc= 0.238 USER MOD Single : A 9 SER OG : rot -138:sc= -0.376 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.675 K(o=-0.68,f=-2.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-9.3!) USER MOD Single : A 38 SER OG : rot 75:sc= 0.179 USER MOD Single : A 47 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.89) USER MOD Single : A 53 THR OG1 : rot -35:sc= 0.551 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.915 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 67 SER OG : rot 95:sc= 0.233 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.598 USER MOD Single : A 80 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.4) USER MOD Single : A 81 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 87 CYS SG : rot 150:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.295 K(o=0.78,f=-6.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= -0.0179 (180deg=-0.171) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.560 5.407 -7.185 1.00 33.23 N ATOM 64 CA VAL A 7 8.246 5.803 -8.552 1.00 42.33 C ATOM 65 C VAL A 7 8.926 7.119 -8.912 1.00 51.54 C ATOM 66 O VAL A 7 9.429 7.287 -10.024 1.00 41.31 O ATOM 67 CB VAL A 7 6.727 5.949 -8.760 1.00 60.02 C ATOM 68 CG1 VAL A 7 6.424 6.409 -10.178 1.00 34.20 C ATOM 69 CG2 VAL A 7 6.020 4.638 -8.453 1.00 75.33 C ATOM 0 HA VAL A 7 8.620 5.013 -9.204 1.00 42.33 H new ATOM 0 HB VAL A 7 6.354 6.707 -8.071 1.00 60.02 H new ATOM 0 HG11 VAL A 7 5.346 6.507 -10.306 1.00 34.20 H new ATOM 0 HG12 VAL A 7 6.900 7.373 -10.357 1.00 34.20 H new ATOM 0 HG13 VAL A 7 6.809 5.677 -10.888 1.00 34.20 H new ATOM 0 HG21 VAL A 7 4.947 4.759 -8.605 1.00 75.33 H new ATOM 0 HG22 VAL A 7 6.395 3.858 -9.116 1.00 75.33 H new ATOM 0 HG23 VAL A 7 6.210 4.356 -7.417 1.00 75.33 H new ATOM 79 N LEU A 8 8.938 8.051 -7.966 1.00 11.15 N ATOM 80 CA LEU A 8 9.557 9.354 -8.182 1.00 50.20 C ATOM 81 C LEU A 8 10.907 9.439 -7.478 1.00 2.33 C ATOM 82 O LEU A 8 11.120 8.807 -6.443 1.00 61.34 O ATOM 83 CB LEU A 8 8.636 10.468 -7.680 1.00 61.14 C ATOM 84 CG LEU A 8 7.392 10.742 -8.526 1.00 41.12 C ATOM 85 CD1 LEU A 8 6.607 11.913 -7.956 1.00 53.13 C ATOM 86 CD2 LEU A 8 7.779 11.011 -9.973 1.00 64.10 C ATOM 0 H LEU A 8 8.526 7.929 -7.041 1.00 11.15 H new ATOM 0 HA LEU A 8 9.718 9.479 -9.253 1.00 50.20 H new ATOM 0 HB2 LEU A 8 8.315 10.219 -6.668 1.00 61.14 H new ATOM 0 HB3 LEU A 8 9.216 11.389 -7.613 1.00 61.14 H new ATOM 0 HG LEU A 8 6.756 9.857 -8.500 1.00 41.12 H new ATOM 0 HD11 LEU A 8 5.725 12.094 -8.571 1.00 53.13 H new ATOM 0 HD12 LEU A 8 6.298 11.682 -6.937 1.00 53.13 H new ATOM 0 HD13 LEU A 8 7.235 12.804 -7.951 1.00 53.13 H new ATOM 0 HD21 LEU A 8 6.881 11.204 -10.560 1.00 64.10 H new ATOM 0 HD22 LEU A 8 8.436 11.880 -10.019 1.00 64.10 H new ATOM 0 HD23 LEU A 8 8.298 10.142 -10.378 1.00 64.10 H new ATOM 98 N SER A 9 11.816 10.227 -8.044 1.00 53.30 N ATOM 99 CA SER A 9 13.146 10.394 -7.471 1.00 43.33 C ATOM 100 C SER A 9 13.158 11.524 -6.446 1.00 23.34 C ATOM 101 O SER A 9 12.172 12.241 -6.284 1.00 0.02 O ATOM 102 CB SER A 9 14.167 10.681 -8.574 1.00 60.12 C ATOM 103 OG SER A 9 14.163 12.053 -8.929 1.00 23.04 O ATOM 0 H SER A 9 11.655 10.760 -8.899 1.00 53.30 H new ATOM 0 HA SER A 9 13.417 9.466 -6.967 1.00 43.33 H new ATOM 0 HB2 SER A 9 15.162 10.393 -8.236 1.00 60.12 H new ATOM 0 HB3 SER A 9 13.940 10.075 -9.451 1.00 60.12 H new ATOM 0 HG SER A 9 14.224 12.139 -9.903 1.00 23.04 H new ATOM 109 N GLY A 10 14.284 11.675 -5.754 1.00 40.13 N ATOM 110 CA GLY A 10 14.405 12.718 -4.753 1.00 11.24 C ATOM 111 C GLY A 10 13.954 14.071 -5.267 1.00 35.22 C ATOM 112 O GLY A 10 13.304 14.830 -4.550 1.00 14.15 O ATOM 0 H GLY A 10 15.114 11.093 -5.869 1.00 40.13 H new ATOM 0 HA2 GLY A 10 13.812 12.449 -3.879 1.00 11.24 H new ATOM 0 HA3 GLY A 10 15.443 12.785 -4.426 1.00 11.24 H new ATOM 116 N GLY A 11 14.301 14.374 -6.514 1.00 54.20 N ATOM 117 CA GLY A 11 13.920 15.645 -7.102 1.00 0.54 C ATOM 118 C GLY A 11 12.448 15.702 -7.458 1.00 33.13 C ATOM 119 O GLY A 11 11.751 16.649 -7.095 1.00 2.14 O ATOM 0 H GLY A 11 14.839 13.762 -7.128 1.00 54.20 H new ATOM 0 HA2 GLY A 11 14.153 16.449 -6.404 1.00 0.54 H new ATOM 0 HA3 GLY A 11 14.514 15.819 -7.999 1.00 0.54 H new ATOM 123 N GLU A 12 11.974 14.686 -8.172 1.00 33.32 N ATOM 124 CA GLU A 12 10.575 14.626 -8.579 1.00 72.01 C ATOM 125 C GLU A 12 9.655 14.598 -7.362 1.00 74.11 C ATOM 126 O GLU A 12 8.529 15.097 -7.409 1.00 23.43 O ATOM 127 CB GLU A 12 10.326 13.392 -9.449 1.00 20.01 C ATOM 128 CG GLU A 12 11.377 13.185 -10.527 1.00 13.22 C ATOM 129 CD GLU A 12 11.098 11.968 -11.387 1.00 40.24 C ATOM 130 OE1 GLU A 12 11.124 10.842 -10.848 1.00 1.24 O ATOM 131 OE2 GLU A 12 10.854 12.141 -12.600 1.00 3.33 O ATOM 0 H GLU A 12 12.538 13.894 -8.480 1.00 33.32 H new ATOM 0 HA GLU A 12 10.354 15.521 -9.160 1.00 72.01 H new ATOM 0 HB2 GLU A 12 10.293 12.509 -8.811 1.00 20.01 H new ATOM 0 HB3 GLU A 12 9.347 13.482 -9.920 1.00 20.01 H new ATOM 0 HG2 GLU A 12 11.421 14.071 -11.161 1.00 13.22 H new ATOM 0 HG3 GLU A 12 12.356 13.078 -10.059 1.00 13.22 H new ATOM 138 N LEU A 13 10.141 14.011 -6.274 1.00 34.00 N ATOM 139 CA LEU A 13 9.363 13.916 -5.043 1.00 53.54 C ATOM 140 C LEU A 13 9.042 15.303 -4.494 1.00 23.10 C ATOM 141 O LEU A 13 7.911 15.576 -4.091 1.00 64.21 O ATOM 142 CB LEU A 13 10.125 13.104 -3.996 1.00 25.13 C ATOM 143 CG LEU A 13 9.272 12.405 -2.936 1.00 43.44 C ATOM 144 CD1 LEU A 13 8.422 13.417 -2.184 1.00 33.11 C ATOM 145 CD2 LEU A 13 8.395 11.339 -3.576 1.00 41.11 C ATOM 0 H LEU A 13 11.070 13.594 -6.219 1.00 34.00 H new ATOM 0 HA LEU A 13 8.425 13.410 -5.273 1.00 53.54 H new ATOM 0 HB2 LEU A 13 10.718 12.349 -4.512 1.00 25.13 H new ATOM 0 HB3 LEU A 13 10.825 13.768 -3.490 1.00 25.13 H new ATOM 0 HG LEU A 13 9.938 11.919 -2.223 1.00 43.44 H new ATOM 0 HD11 LEU A 13 7.822 12.902 -1.434 1.00 33.11 H new ATOM 0 HD12 LEU A 13 9.070 14.144 -1.694 1.00 33.11 H new ATOM 0 HD13 LEU A 13 7.764 13.932 -2.884 1.00 33.11 H new ATOM 0 HD21 LEU A 13 7.795 10.852 -2.807 1.00 41.11 H new ATOM 0 HD22 LEU A 13 7.737 11.802 -4.311 1.00 41.11 H new ATOM 0 HD23 LEU A 13 9.024 10.598 -4.069 1.00 41.11 H new ATOM 157 N ASP A 14 10.044 16.175 -4.483 1.00 2.03 N ATOM 158 CA ASP A 14 9.869 17.535 -3.986 1.00 33.20 C ATOM 159 C ASP A 14 8.913 18.320 -4.878 1.00 54.13 C ATOM 160 O ASP A 14 8.146 19.157 -4.401 1.00 3.13 O ATOM 161 CB ASP A 14 11.218 18.251 -3.909 1.00 22.40 C ATOM 162 CG ASP A 14 12.119 17.674 -2.835 1.00 20.14 C ATOM 163 OD1 ASP A 14 11.649 16.805 -2.070 1.00 43.35 O ATOM 164 OD2 ASP A 14 13.294 18.092 -2.757 1.00 74.34 O ATOM 0 H ASP A 14 10.986 15.965 -4.813 1.00 2.03 H new ATOM 0 HA ASP A 14 9.440 17.477 -2.986 1.00 33.20 H new ATOM 0 HB2 ASP A 14 11.718 18.182 -4.875 1.00 22.40 H new ATOM 0 HB3 ASP A 14 11.053 19.310 -3.711 1.00 22.40 H new ATOM 169 N LYS A 15 8.963 18.045 -6.177 1.00 45.43 N ATOM 170 CA LYS A 15 8.102 18.725 -7.138 1.00 5.12 C ATOM 171 C LYS A 15 6.692 18.146 -7.109 1.00 72.43 C ATOM 172 O LYS A 15 5.723 18.829 -7.442 1.00 4.13 O ATOM 173 CB LYS A 15 8.685 18.608 -8.548 1.00 70.11 C ATOM 174 CG LYS A 15 9.547 19.792 -8.951 1.00 11.15 C ATOM 175 CD LYS A 15 11.007 19.397 -9.090 1.00 64.34 C ATOM 176 CE LYS A 15 11.931 20.582 -8.856 1.00 13.50 C ATOM 177 NZ LYS A 15 13.296 20.338 -9.398 1.00 21.12 N ATOM 0 H LYS A 15 9.591 17.355 -6.589 1.00 45.43 H new ATOM 0 HA LYS A 15 8.049 19.778 -6.860 1.00 5.12 H new ATOM 0 HB2 LYS A 15 9.281 17.698 -8.611 1.00 70.11 H new ATOM 0 HB3 LYS A 15 7.868 18.504 -9.262 1.00 70.11 H new ATOM 0 HG2 LYS A 15 9.188 20.200 -9.896 1.00 11.15 H new ATOM 0 HG3 LYS A 15 9.452 20.582 -8.206 1.00 11.15 H new ATOM 0 HD2 LYS A 15 11.240 18.606 -8.377 1.00 64.34 H new ATOM 0 HD3 LYS A 15 11.181 18.990 -10.086 1.00 64.34 H new ATOM 0 HE2 LYS A 15 11.508 21.470 -9.325 1.00 13.50 H new ATOM 0 HE3 LYS A 15 11.996 20.786 -7.787 1.00 13.50 H new ATOM 0 HZ1 LYS A 15 13.895 21.169 -9.218 1.00 21.12 H new ATOM 0 HZ2 LYS A 15 13.711 19.505 -8.933 1.00 21.12 H new ATOM 0 HZ3 LYS A 15 13.238 20.169 -10.422 1.00 21.12 H new ATOM 191 N TRP A 16 6.584 16.884 -6.709 1.00 73.13 N ATOM 192 CA TRP A 16 5.290 16.214 -6.636 1.00 63.32 C ATOM 193 C TRP A 16 4.425 16.820 -5.537 1.00 33.50 C ATOM 194 O TRP A 16 3.221 17.004 -5.714 1.00 41.03 O ATOM 195 CB TRP A 16 5.482 14.717 -6.385 1.00 51.10 C ATOM 196 CG TRP A 16 4.202 13.996 -6.089 1.00 31.14 C ATOM 197 CD1 TRP A 16 3.749 13.601 -4.862 1.00 70.53 C ATOM 198 CD2 TRP A 16 3.212 13.583 -7.037 1.00 34.05 C ATOM 199 NE1 TRP A 16 2.537 12.967 -4.991 1.00 33.51 N ATOM 200 CE2 TRP A 16 2.185 12.944 -6.315 1.00 32.45 C ATOM 201 CE3 TRP A 16 3.091 13.693 -8.424 1.00 62.24 C ATOM 202 CZ2 TRP A 16 1.056 12.417 -6.935 1.00 74.45 C ATOM 203 CZ3 TRP A 16 1.970 13.169 -9.039 1.00 70.12 C ATOM 204 CH2 TRP A 16 0.964 12.538 -8.295 1.00 52.04 C ATOM 0 H TRP A 16 7.376 16.304 -6.430 1.00 73.13 H new ATOM 0 HA TRP A 16 4.782 16.353 -7.590 1.00 63.32 H new ATOM 0 HB2 TRP A 16 5.951 14.266 -7.260 1.00 51.10 H new ATOM 0 HB3 TRP A 16 6.169 14.581 -5.550 1.00 51.10 H new ATOM 0 HD1 TRP A 16 4.267 13.763 -3.928 1.00 70.53 H new ATOM 0 HE1 TRP A 16 1.988 12.577 -4.225 1.00 33.51 H new ATOM 0 HE3 TRP A 16 3.860 14.179 -9.006 1.00 62.24 H new ATOM 0 HZ2 TRP A 16 0.280 11.930 -6.363 1.00 74.45 H new ATOM 0 HZ3 TRP A 16 1.867 13.247 -10.111 1.00 70.12 H new ATOM 0 HH2 TRP A 16 0.099 12.139 -8.805 1.00 52.04 H new ATOM 215 N GLU A 17 5.045 17.127 -4.402 1.00 65.14 N ATOM 216 CA GLU A 17 4.329 17.712 -3.275 1.00 23.33 C ATOM 217 C GLU A 17 4.020 19.184 -3.531 1.00 21.10 C ATOM 218 O GLU A 17 3.343 19.836 -2.736 1.00 20.23 O ATOM 219 CB GLU A 17 5.149 17.567 -1.991 1.00 4.40 C ATOM 220 CG GLU A 17 4.992 16.215 -1.317 1.00 32.21 C ATOM 221 CD GLU A 17 5.187 16.285 0.185 1.00 3.21 C ATOM 222 OE1 GLU A 17 6.347 16.426 0.626 1.00 45.33 O ATOM 223 OE2 GLU A 17 4.181 16.199 0.920 1.00 43.13 O ATOM 0 H GLU A 17 6.041 16.980 -4.239 1.00 65.14 H new ATOM 0 HA GLU A 17 3.387 17.176 -3.159 1.00 23.33 H new ATOM 0 HB2 GLU A 17 6.202 17.728 -2.222 1.00 4.40 H new ATOM 0 HB3 GLU A 17 4.853 18.349 -1.291 1.00 4.40 H new ATOM 0 HG2 GLU A 17 4.000 15.819 -1.533 1.00 32.21 H new ATOM 0 HG3 GLU A 17 5.713 15.516 -1.741 1.00 32.21 H new ATOM 230 N LYS A 18 4.522 19.702 -4.647 1.00 13.11 N ATOM 231 CA LYS A 18 4.300 21.097 -5.011 1.00 20.54 C ATOM 232 C LYS A 18 3.119 21.228 -5.967 1.00 12.23 C ATOM 233 O LYS A 18 2.724 22.336 -6.331 1.00 43.34 O ATOM 234 CB LYS A 18 5.558 21.684 -5.654 1.00 24.51 C ATOM 235 CG LYS A 18 6.544 22.256 -4.650 1.00 51.41 C ATOM 236 CD LYS A 18 7.625 23.076 -5.335 1.00 72.22 C ATOM 237 CE LYS A 18 8.735 23.455 -4.367 1.00 31.31 C ATOM 238 NZ LYS A 18 9.143 24.879 -4.520 1.00 75.32 N ATOM 0 H LYS A 18 5.086 19.177 -5.315 1.00 13.11 H new ATOM 0 HA LYS A 18 4.072 21.652 -4.101 1.00 20.54 H new ATOM 0 HB2 LYS A 18 6.054 20.908 -6.236 1.00 24.51 H new ATOM 0 HB3 LYS A 18 5.267 22.469 -6.352 1.00 24.51 H new ATOM 0 HG2 LYS A 18 6.012 22.880 -3.932 1.00 51.41 H new ATOM 0 HG3 LYS A 18 7.004 21.444 -4.087 1.00 51.41 H new ATOM 0 HD2 LYS A 18 8.043 22.507 -6.165 1.00 72.22 H new ATOM 0 HD3 LYS A 18 7.185 23.979 -5.757 1.00 72.22 H new ATOM 0 HE2 LYS A 18 8.400 23.281 -3.344 1.00 31.31 H new ATOM 0 HE3 LYS A 18 9.598 22.810 -4.534 1.00 31.31 H new ATOM 0 HZ1 LYS A 18 9.901 25.098 -3.843 1.00 75.32 H new ATOM 0 HZ2 LYS A 18 9.487 25.040 -5.488 1.00 75.32 H new ATOM 0 HZ3 LYS A 18 8.326 25.496 -4.336 1.00 75.32 H new ATOM 252 N ILE A 19 2.558 20.092 -6.368 1.00 4.15 N ATOM 253 CA ILE A 19 1.421 20.082 -7.279 1.00 32.02 C ATOM 254 C ILE A 19 0.103 20.126 -6.513 1.00 72.33 C ATOM 255 O ILE A 19 -0.144 19.299 -5.635 1.00 14.21 O ATOM 256 CB ILE A 19 1.435 18.835 -8.183 1.00 42.42 C ATOM 257 CG1 ILE A 19 2.772 18.728 -8.919 1.00 25.52 C ATOM 258 CG2 ILE A 19 0.282 18.887 -9.174 1.00 60.13 C ATOM 259 CD1 ILE A 19 3.033 17.356 -9.501 1.00 21.23 C ATOM 0 H ILE A 19 2.873 19.167 -6.076 1.00 4.15 H new ATOM 0 HA ILE A 19 1.507 20.973 -7.901 1.00 32.02 H new ATOM 0 HB ILE A 19 1.313 17.950 -7.559 1.00 42.42 H new ATOM 0 HG12 ILE A 19 2.796 19.465 -9.722 1.00 25.52 H new ATOM 0 HG13 ILE A 19 3.578 18.981 -8.230 1.00 25.52 H new ATOM 0 HG21 ILE A 19 0.305 17.999 -9.806 1.00 60.13 H new ATOM 0 HG22 ILE A 19 -0.663 18.922 -8.631 1.00 60.13 H new ATOM 0 HG23 ILE A 19 0.376 19.777 -9.796 1.00 60.13 H new ATOM 0 HD11 ILE A 19 3.998 17.353 -10.008 1.00 21.23 H new ATOM 0 HD12 ILE A 19 3.042 16.617 -8.700 1.00 21.23 H new ATOM 0 HD13 ILE A 19 2.247 17.108 -10.215 1.00 21.23 H new ATOM 271 N ARG A 20 -0.741 21.094 -6.854 1.00 11.32 N ATOM 272 CA ARG A 20 -2.035 21.246 -6.199 1.00 61.50 C ATOM 273 C ARG A 20 -3.063 20.291 -6.799 1.00 22.41 C ATOM 274 O ARG A 20 -3.131 20.120 -8.017 1.00 15.50 O ATOM 275 CB ARG A 20 -2.529 22.688 -6.325 1.00 24.01 C ATOM 276 CG ARG A 20 -2.756 23.373 -4.987 1.00 73.22 C ATOM 277 CD ARG A 20 -1.673 24.399 -4.695 1.00 63.11 C ATOM 278 NE ARG A 20 -1.808 25.590 -5.529 1.00 40.20 N ATOM 279 CZ ARG A 20 -1.052 26.674 -5.391 1.00 21.40 C ATOM 280 NH1 ARG A 20 -0.112 26.715 -4.457 1.00 44.31 N ATOM 281 NH2 ARG A 20 -1.235 27.718 -6.188 1.00 53.24 N ATOM 0 H ARG A 20 -0.552 21.785 -7.580 1.00 11.32 H new ATOM 0 HA ARG A 20 -1.910 21.003 -5.144 1.00 61.50 H new ATOM 0 HB2 ARG A 20 -1.803 23.263 -6.899 1.00 24.01 H new ATOM 0 HB3 ARG A 20 -3.461 22.696 -6.890 1.00 24.01 H new ATOM 0 HG2 ARG A 20 -3.730 23.861 -4.988 1.00 73.22 H new ATOM 0 HG3 ARG A 20 -2.775 22.626 -4.193 1.00 73.22 H new ATOM 0 HD2 ARG A 20 -1.719 24.685 -3.644 1.00 63.11 H new ATOM 0 HD3 ARG A 20 -0.694 23.950 -4.861 1.00 63.11 H new ATOM 0 HE ARG A 20 -2.522 25.590 -6.258 1.00 40.20 H new ATOM 0 HH11 ARG A 20 0.032 25.914 -3.843 1.00 44.31 H new ATOM 0 HH12 ARG A 20 0.467 27.548 -4.353 1.00 44.31 H new ATOM 0 HH21 ARG A 20 -1.957 27.690 -6.908 1.00 53.24 H new ATOM 0 HH22 ARG A 20 -0.654 28.549 -6.081 1.00 53.24 H new ATOM 295 N LEU A 21 -3.860 19.669 -5.936 1.00 45.53 N ATOM 296 CA LEU A 21 -4.884 18.731 -6.380 1.00 72.24 C ATOM 297 C LEU A 21 -6.020 19.460 -7.091 1.00 0.34 C ATOM 298 O LEU A 21 -6.513 19.006 -8.123 1.00 33.31 O ATOM 299 CB LEU A 21 -5.434 17.944 -5.189 1.00 40.32 C ATOM 300 CG LEU A 21 -4.457 16.984 -4.510 1.00 63.13 C ATOM 301 CD1 LEU A 21 -4.641 17.013 -3.001 1.00 51.30 C ATOM 302 CD2 LEU A 21 -4.640 15.571 -5.044 1.00 61.24 C ATOM 0 H LEU A 21 -3.816 19.798 -4.925 1.00 45.53 H new ATOM 0 HA LEU A 21 -4.425 18.038 -7.085 1.00 72.24 H new ATOM 0 HB2 LEU A 21 -5.791 18.654 -4.444 1.00 40.32 H new ATOM 0 HB3 LEU A 21 -6.299 17.373 -5.525 1.00 40.32 H new ATOM 0 HG LEU A 21 -3.442 17.309 -4.738 1.00 63.13 H new ATOM 0 HD11 LEU A 21 -3.937 16.323 -2.535 1.00 51.30 H new ATOM 0 HD12 LEU A 21 -4.459 18.022 -2.632 1.00 51.30 H new ATOM 0 HD13 LEU A 21 -5.659 16.714 -2.753 1.00 51.30 H new ATOM 0 HD21 LEU A 21 -3.936 14.901 -4.550 1.00 61.24 H new ATOM 0 HD22 LEU A 21 -5.659 15.237 -4.847 1.00 61.24 H new ATOM 0 HD23 LEU A 21 -4.456 15.561 -6.118 1.00 61.24 H new ATOM 314 N ARG A 22 -6.429 20.595 -6.532 1.00 24.34 N ATOM 315 CA ARG A 22 -7.505 21.388 -7.112 1.00 74.20 C ATOM 316 C ARG A 22 -6.972 22.706 -7.665 1.00 14.43 C ATOM 317 O ARG A 22 -5.882 23.159 -7.314 1.00 54.35 O ATOM 318 CB ARG A 22 -8.587 21.661 -6.066 1.00 13.25 C ATOM 319 CG ARG A 22 -9.698 20.623 -6.052 1.00 5.23 C ATOM 320 CD ARG A 22 -10.358 20.532 -4.685 1.00 52.41 C ATOM 321 NE ARG A 22 -9.764 19.485 -3.859 1.00 34.14 N ATOM 322 CZ ARG A 22 -10.317 19.031 -2.739 1.00 63.52 C ATOM 323 NH1 ARG A 22 -11.470 19.529 -2.315 1.00 62.22 N ATOM 324 NH2 ARG A 22 -9.715 18.075 -2.042 1.00 14.24 N ATOM 0 H ARG A 22 -6.031 20.985 -5.678 1.00 24.34 H new ATOM 0 HA ARG A 22 -7.940 20.819 -7.934 1.00 74.20 H new ATOM 0 HB2 ARG A 22 -8.125 21.699 -5.079 1.00 13.25 H new ATOM 0 HB3 ARG A 22 -9.021 22.643 -6.253 1.00 13.25 H new ATOM 0 HG2 ARG A 22 -10.446 20.879 -6.802 1.00 5.23 H new ATOM 0 HG3 ARG A 22 -9.292 19.650 -6.327 1.00 5.23 H new ATOM 0 HD2 ARG A 22 -10.268 21.491 -4.175 1.00 52.41 H new ATOM 0 HD3 ARG A 22 -11.423 20.335 -4.809 1.00 52.41 H new ATOM 0 HE ARG A 22 -8.877 19.080 -4.158 1.00 34.14 H new ATOM 0 HH11 ARG A 22 -11.936 20.263 -2.849 1.00 62.22 H new ATOM 0 HH12 ARG A 22 -11.892 19.178 -1.455 1.00 62.22 H new ATOM 0 HH21 ARG A 22 -8.828 17.689 -2.366 1.00 14.24 H new ATOM 0 HH22 ARG A 22 -10.139 17.726 -1.182 1.00 14.24 H new ATOM 338 N PRO A 23 -7.758 23.338 -8.550 1.00 2.03 N ATOM 339 CA PRO A 23 -7.386 24.613 -9.170 1.00 3.24 C ATOM 340 C PRO A 23 -7.409 25.770 -8.176 1.00 31.52 C ATOM 341 O PRO A 23 -6.502 26.601 -8.154 1.00 74.23 O ATOM 342 CB PRO A 23 -8.457 24.811 -10.245 1.00 61.21 C ATOM 343 CG PRO A 23 -9.632 24.036 -9.756 1.00 41.51 C ATOM 344 CD PRO A 23 -9.070 22.856 -9.013 1.00 1.20 C ATOM 0 HA PRO A 23 -6.369 24.594 -9.561 1.00 3.24 H new ATOM 0 HB2 PRO A 23 -8.702 25.866 -10.370 1.00 61.21 H new ATOM 0 HB3 PRO A 23 -8.117 24.446 -11.214 1.00 61.21 H new ATOM 0 HG2 PRO A 23 -10.258 24.646 -9.104 1.00 41.51 H new ATOM 0 HG3 PRO A 23 -10.259 23.712 -10.587 1.00 41.51 H new ATOM 0 HD2 PRO A 23 -9.709 22.565 -8.179 1.00 1.20 H new ATOM 0 HD3 PRO A 23 -8.973 21.984 -9.659 1.00 1.20 H new ATOM 352 N GLY A 24 -8.453 25.816 -7.353 1.00 24.00 N ATOM 353 CA GLY A 24 -8.574 26.875 -6.368 1.00 22.53 C ATOM 354 C GLY A 24 -8.162 26.425 -4.980 1.00 34.32 C ATOM 355 O GLY A 24 -7.747 27.237 -4.154 1.00 74.40 O ATOM 0 H GLY A 24 -9.216 25.139 -7.351 1.00 24.00 H new ATOM 0 HA2 GLY A 24 -7.957 27.721 -6.671 1.00 22.53 H new ATOM 0 HA3 GLY A 24 -9.605 27.226 -6.342 1.00 22.53 H new ATOM 359 N GLY A 25 -8.279 25.126 -4.721 1.00 73.43 N ATOM 360 CA GLY A 25 -7.914 24.592 -3.422 1.00 72.11 C ATOM 361 C GLY A 25 -6.472 24.886 -3.059 1.00 71.31 C ATOM 362 O GLY A 25 -5.771 25.587 -3.788 1.00 43.42 O ATOM 0 H GLY A 25 -8.620 24.434 -5.388 1.00 73.43 H new ATOM 0 HA2 GLY A 25 -8.570 25.015 -2.661 1.00 72.11 H new ATOM 0 HA3 GLY A 25 -8.074 23.514 -3.418 1.00 72.11 H new ATOM 366 N LYS A 26 -6.027 24.349 -1.928 1.00 14.22 N ATOM 367 CA LYS A 26 -4.660 24.557 -1.468 1.00 5.12 C ATOM 368 C LYS A 26 -4.030 23.242 -1.021 1.00 20.42 C ATOM 369 O LYS A 26 -2.980 23.230 -0.378 1.00 43.53 O ATOM 370 CB LYS A 26 -4.635 25.564 -0.316 1.00 4.13 C ATOM 371 CG LYS A 26 -4.801 27.006 -0.764 1.00 62.32 C ATOM 372 CD LYS A 26 -4.389 27.980 0.327 1.00 54.13 C ATOM 373 CE LYS A 26 -3.008 28.559 0.065 1.00 43.44 C ATOM 374 NZ LYS A 26 -3.048 29.659 -0.939 1.00 74.31 N ATOM 0 H LYS A 26 -6.594 23.766 -1.313 1.00 14.22 H new ATOM 0 HA LYS A 26 -4.080 24.953 -2.301 1.00 5.12 H new ATOM 0 HB2 LYS A 26 -5.430 25.317 0.388 1.00 4.13 H new ATOM 0 HB3 LYS A 26 -3.692 25.466 0.221 1.00 4.13 H new ATOM 0 HG2 LYS A 26 -4.200 27.182 -1.656 1.00 62.32 H new ATOM 0 HG3 LYS A 26 -5.840 27.185 -1.039 1.00 62.32 H new ATOM 0 HD2 LYS A 26 -5.118 28.788 0.389 1.00 54.13 H new ATOM 0 HD3 LYS A 26 -4.395 27.472 1.291 1.00 54.13 H new ATOM 0 HE2 LYS A 26 -2.589 28.935 0.998 1.00 43.44 H new ATOM 0 HE3 LYS A 26 -2.344 27.770 -0.288 1.00 43.44 H new ATOM 0 HZ1 LYS A 26 -2.087 30.027 -1.089 1.00 74.31 H new ATOM 0 HZ2 LYS A 26 -3.424 29.295 -1.838 1.00 74.31 H new ATOM 0 HZ3 LYS A 26 -3.661 30.424 -0.592 1.00 74.31 H new ATOM 388 N LYS A 27 -4.677 22.134 -1.366 1.00 34.22 N ATOM 389 CA LYS A 27 -4.180 20.812 -1.003 1.00 32.00 C ATOM 390 C LYS A 27 -3.209 20.288 -2.056 1.00 74.23 C ATOM 391 O LYS A 27 -3.587 20.072 -3.208 1.00 3.44 O ATOM 392 CB LYS A 27 -5.346 19.834 -0.837 1.00 4.13 C ATOM 393 CG LYS A 27 -6.228 20.138 0.362 1.00 71.23 C ATOM 394 CD LYS A 27 -6.046 19.108 1.464 1.00 62.22 C ATOM 395 CE LYS A 27 -7.156 18.069 1.445 1.00 35.20 C ATOM 396 NZ LYS A 27 -6.618 16.681 1.472 1.00 70.34 N ATOM 0 H LYS A 27 -5.548 22.125 -1.897 1.00 34.22 H new ATOM 0 HA LYS A 27 -3.649 20.899 -0.055 1.00 32.00 H new ATOM 0 HB2 LYS A 27 -5.956 19.852 -1.740 1.00 4.13 H new ATOM 0 HB3 LYS A 27 -4.950 18.823 -0.740 1.00 4.13 H new ATOM 0 HG2 LYS A 27 -5.991 21.130 0.747 1.00 71.23 H new ATOM 0 HG3 LYS A 27 -7.272 20.158 0.051 1.00 71.23 H new ATOM 0 HD2 LYS A 27 -5.082 18.614 1.346 1.00 62.22 H new ATOM 0 HD3 LYS A 27 -6.031 19.608 2.432 1.00 62.22 H new ATOM 0 HE2 LYS A 27 -7.811 18.221 2.303 1.00 35.20 H new ATOM 0 HE3 LYS A 27 -7.765 18.205 0.551 1.00 35.20 H new ATOM 0 HZ1 LYS A 27 -7.406 16.003 1.458 1.00 70.34 H new ATOM 0 HZ2 LYS A 27 -6.014 16.527 0.640 1.00 70.34 H new ATOM 0 HZ3 LYS A 27 -6.058 16.543 2.337 1.00 70.34 H new ATOM 410 N GLN A 28 -1.959 20.084 -1.653 1.00 54.02 N ATOM 411 CA GLN A 28 -0.936 19.584 -2.563 1.00 43.23 C ATOM 412 C GLN A 28 -1.048 18.073 -2.732 1.00 33.41 C ATOM 413 O GLN A 28 -1.911 17.433 -2.129 1.00 41.33 O ATOM 414 CB GLN A 28 0.457 19.949 -2.048 1.00 4.34 C ATOM 415 CG GLN A 28 0.903 21.350 -2.437 1.00 75.30 C ATOM 416 CD GLN A 28 1.870 21.953 -1.438 1.00 40.42 C ATOM 417 OE1 GLN A 28 2.037 21.441 -0.331 1.00 1.41 O ATOM 418 NE2 GLN A 28 2.514 23.048 -1.825 1.00 1.30 N ATOM 0 H GLN A 28 -1.631 20.257 -0.703 1.00 54.02 H new ATOM 0 HA GLN A 28 -1.091 20.052 -3.535 1.00 43.23 H new ATOM 0 HB2 GLN A 28 0.468 19.862 -0.962 1.00 4.34 H new ATOM 0 HB3 GLN A 28 1.178 19.228 -2.433 1.00 4.34 H new ATOM 0 HG2 GLN A 28 1.375 21.317 -3.419 1.00 75.30 H new ATOM 0 HG3 GLN A 28 0.028 21.994 -2.525 1.00 75.30 H new ATOM 0 HE21 GLN A 28 2.345 23.438 -2.752 1.00 1.30 H new ATOM 0 HE22 GLN A 28 3.178 23.499 -1.195 1.00 1.30 H new ATOM 427 N TYR A 29 -0.172 17.507 -3.555 1.00 53.40 N ATOM 428 CA TYR A 29 -0.175 16.071 -3.805 1.00 72.03 C ATOM 429 C TYR A 29 0.710 15.341 -2.800 1.00 1.02 C ATOM 430 O TYR A 29 1.718 15.877 -2.337 1.00 73.44 O ATOM 431 CB TYR A 29 0.303 15.779 -5.229 1.00 14.13 C ATOM 432 CG TYR A 29 -0.824 15.534 -6.207 1.00 63.32 C ATOM 433 CD1 TYR A 29 -1.486 14.313 -6.242 1.00 70.30 C ATOM 434 CD2 TYR A 29 -1.225 16.522 -7.097 1.00 42.13 C ATOM 435 CE1 TYR A 29 -2.515 14.084 -7.135 1.00 32.43 C ATOM 436 CE2 TYR A 29 -2.254 16.302 -7.992 1.00 41.43 C ATOM 437 CZ TYR A 29 -2.896 15.082 -8.007 1.00 63.34 C ATOM 438 OH TYR A 29 -3.920 14.858 -8.898 1.00 53.45 O ATOM 0 H TYR A 29 0.549 18.021 -4.060 1.00 53.40 H new ATOM 0 HA TYR A 29 -1.197 15.710 -3.691 1.00 72.03 H new ATOM 0 HB2 TYR A 29 0.903 16.618 -5.581 1.00 14.13 H new ATOM 0 HB3 TYR A 29 0.955 14.906 -5.213 1.00 14.13 H new ATOM 0 HD1 TYR A 29 -1.191 13.530 -5.560 1.00 70.30 H new ATOM 0 HD2 TYR A 29 -0.724 17.479 -7.089 1.00 42.13 H new ATOM 0 HE1 TYR A 29 -3.018 13.129 -7.150 1.00 32.43 H new ATOM 0 HE2 TYR A 29 -2.554 17.082 -8.676 1.00 41.43 H new ATOM 0 HH TYR A 29 -4.302 15.715 -9.179 1.00 53.45 H new ATOM 448 N LYS A 30 0.327 14.113 -2.466 1.00 13.52 N ATOM 449 CA LYS A 30 1.084 13.306 -1.517 1.00 4.31 C ATOM 450 C LYS A 30 1.225 11.871 -2.014 1.00 41.11 C ATOM 451 O LYS A 30 0.499 11.440 -2.911 1.00 43.12 O ATOM 452 CB LYS A 30 0.402 13.318 -0.147 1.00 5.20 C ATOM 453 CG LYS A 30 0.860 14.455 0.750 1.00 14.32 C ATOM 454 CD LYS A 30 -0.317 15.269 1.262 1.00 0.22 C ATOM 455 CE LYS A 30 -0.727 14.837 2.662 1.00 63.12 C ATOM 456 NZ LYS A 30 -1.891 15.617 3.165 1.00 52.14 N ATOM 0 H LYS A 30 -0.504 13.655 -2.839 1.00 13.52 H new ATOM 0 HA LYS A 30 2.080 13.739 -1.424 1.00 4.31 H new ATOM 0 HB2 LYS A 30 -0.677 13.389 -0.288 1.00 5.20 H new ATOM 0 HB3 LYS A 30 0.596 12.370 0.355 1.00 5.20 H new ATOM 0 HG2 LYS A 30 1.419 14.051 1.594 1.00 14.32 H new ATOM 0 HG3 LYS A 30 1.540 15.104 0.198 1.00 14.32 H new ATOM 0 HD2 LYS A 30 -0.054 16.327 1.269 1.00 0.22 H new ATOM 0 HD3 LYS A 30 -1.162 15.155 0.583 1.00 0.22 H new ATOM 0 HE2 LYS A 30 -0.976 13.776 2.656 1.00 63.12 H new ATOM 0 HE3 LYS A 30 0.115 14.963 3.342 1.00 63.12 H new ATOM 0 HZ1 LYS A 30 -2.139 15.293 4.121 1.00 52.14 H new ATOM 0 HZ2 LYS A 30 -1.645 16.627 3.195 1.00 52.14 H new ATOM 0 HZ3 LYS A 30 -2.703 15.477 2.530 1.00 52.14 H new ATOM 470 N LEU A 31 2.161 11.135 -1.426 1.00 4.24 N ATOM 471 CA LEU A 31 2.396 9.747 -1.808 1.00 0.02 C ATOM 472 C LEU A 31 1.086 8.967 -1.858 1.00 1.12 C ATOM 473 O LEU A 31 0.882 8.130 -2.738 1.00 0.52 O ATOM 474 CB LEU A 31 3.361 9.083 -0.824 1.00 60.32 C ATOM 475 CG LEU A 31 4.487 8.255 -1.444 1.00 61.24 C ATOM 476 CD1 LEU A 31 5.666 9.144 -1.808 1.00 11.43 C ATOM 477 CD2 LEU A 31 4.923 7.150 -0.493 1.00 4.43 C ATOM 0 H LEU A 31 2.770 11.476 -0.682 1.00 4.24 H new ATOM 0 HA LEU A 31 2.840 9.740 -2.803 1.00 0.02 H new ATOM 0 HB2 LEU A 31 3.808 9.860 -0.204 1.00 60.32 H new ATOM 0 HB3 LEU A 31 2.785 8.438 -0.161 1.00 60.32 H new ATOM 0 HG LEU A 31 4.111 7.793 -2.357 1.00 61.24 H new ATOM 0 HD11 LEU A 31 6.457 8.537 -2.248 1.00 11.43 H new ATOM 0 HD12 LEU A 31 5.345 9.898 -2.527 1.00 11.43 H new ATOM 0 HD13 LEU A 31 6.042 9.635 -0.911 1.00 11.43 H new ATOM 0 HD21 LEU A 31 5.725 6.571 -0.951 1.00 4.43 H new ATOM 0 HD22 LEU A 31 5.280 7.591 0.438 1.00 4.43 H new ATOM 0 HD23 LEU A 31 4.077 6.495 -0.284 1.00 4.43 H new ATOM 489 N LYS A 32 0.200 9.248 -0.909 1.00 14.21 N ATOM 490 CA LYS A 32 -1.093 8.577 -0.845 1.00 60.44 C ATOM 491 C LYS A 32 -1.752 8.535 -2.220 1.00 74.32 C ATOM 492 O LYS A 32 -2.529 7.627 -2.520 1.00 12.21 O ATOM 493 CB LYS A 32 -2.012 9.287 0.151 1.00 3.11 C ATOM 494 CG LYS A 32 -3.372 8.627 0.302 1.00 44.52 C ATOM 495 CD LYS A 32 -3.583 8.101 1.711 1.00 22.14 C ATOM 496 CE LYS A 32 -5.038 7.732 1.956 1.00 10.44 C ATOM 497 NZ LYS A 32 -5.282 7.347 3.374 1.00 5.42 N ATOM 0 H LYS A 32 0.354 9.937 -0.173 1.00 14.21 H new ATOM 0 HA LYS A 32 -0.926 7.554 -0.509 1.00 60.44 H new ATOM 0 HB2 LYS A 32 -1.523 9.319 1.125 1.00 3.11 H new ATOM 0 HB3 LYS A 32 -2.152 10.319 -0.169 1.00 3.11 H new ATOM 0 HG2 LYS A 32 -4.155 9.346 0.060 1.00 44.52 H new ATOM 0 HG3 LYS A 32 -3.461 7.807 -0.411 1.00 44.52 H new ATOM 0 HD2 LYS A 32 -2.953 7.227 1.872 1.00 22.14 H new ATOM 0 HD3 LYS A 32 -3.271 8.856 2.433 1.00 22.14 H new ATOM 0 HE2 LYS A 32 -5.676 8.576 1.694 1.00 10.44 H new ATOM 0 HE3 LYS A 32 -5.318 6.906 1.302 1.00 10.44 H new ATOM 0 HZ1 LYS A 32 -6.285 7.103 3.500 1.00 5.42 H new ATOM 0 HZ2 LYS A 32 -4.692 6.525 3.617 1.00 5.42 H new ATOM 0 HZ3 LYS A 32 -5.039 8.144 3.997 1.00 5.42 H new ATOM 511 N HIS A 33 -1.437 9.521 -3.053 1.00 41.33 N ATOM 512 CA HIS A 33 -1.997 9.596 -4.398 1.00 54.14 C ATOM 513 C HIS A 33 -1.245 8.672 -5.351 1.00 71.44 C ATOM 514 O HIS A 33 -1.913 8.042 -6.172 1.00 65.15 O ATOM 515 CB HIS A 33 -1.945 11.034 -4.917 1.00 21.40 C ATOM 516 CG HIS A 33 -2.753 11.995 -4.100 1.00 21.41 C ATOM 517 ND1 HIS A 33 -2.187 12.974 -3.312 1.00 25.13 N ATOM 518 CD2 HIS A 33 -4.092 12.123 -3.952 1.00 51.33 C ATOM 519 CE1 HIS A 33 -3.143 13.663 -2.714 1.00 64.53 C ATOM 520 NE2 HIS A 33 -4.309 13.166 -3.087 1.00 43.51 N ATOM 0 H HIS A 33 -0.796 10.280 -2.820 1.00 41.33 H new ATOM 0 HA HIS A 33 -3.037 9.273 -4.350 1.00 54.14 H new ATOM 0 HB2 HIS A 33 -0.908 11.368 -4.935 1.00 21.40 H new ATOM 0 HB3 HIS A 33 -2.304 11.053 -5.946 1.00 21.40 H new ATOM 0 HD2 HIS A 33 -4.849 11.517 -4.427 1.00 51.33 H new ATOM 0 HE1 HIS A 33 -2.996 14.491 -2.036 1.00 64.53 H new ATOM 0 HE2 HIS A 33 -5.222 13.503 -2.782 1.00 43.51 H new ATOM 528 N ILE A 34 0.078 8.577 -5.268 1.00 74.30 N ATOM 529 CA ILE A 34 0.838 7.706 -6.156 1.00 40.42 C ATOM 530 C ILE A 34 0.729 6.248 -5.723 1.00 55.33 C ATOM 531 O ILE A 34 0.351 5.382 -6.512 1.00 74.10 O ATOM 532 CB ILE A 34 2.324 8.107 -6.200 1.00 25.10 C ATOM 533 CG1 ILE A 34 2.464 9.600 -6.505 1.00 62.32 C ATOM 534 CG2 ILE A 34 3.066 7.277 -7.237 1.00 23.00 C ATOM 535 CD1 ILE A 34 3.855 10.140 -6.256 1.00 70.22 C ATOM 0 H ILE A 34 0.645 9.092 -4.595 1.00 74.30 H new ATOM 0 HA ILE A 34 0.409 7.819 -7.152 1.00 40.42 H new ATOM 0 HB ILE A 34 2.766 7.912 -5.223 1.00 25.10 H new ATOM 0 HG12 ILE A 34 2.196 9.776 -7.547 1.00 62.32 H new ATOM 0 HG13 ILE A 34 1.753 10.156 -5.894 1.00 62.32 H new ATOM 0 HG21 ILE A 34 4.115 7.572 -7.256 1.00 23.00 H new ATOM 0 HG22 ILE A 34 2.991 6.221 -6.979 1.00 23.00 H new ATOM 0 HG23 ILE A 34 2.624 7.443 -8.220 1.00 23.00 H new ATOM 0 HD11 ILE A 34 3.880 11.204 -6.493 1.00 70.22 H new ATOM 0 HD12 ILE A 34 4.119 9.996 -5.208 1.00 70.22 H new ATOM 0 HD13 ILE A 34 4.569 9.611 -6.887 1.00 70.22 H new ATOM 547 N VAL A 35 1.060 5.984 -4.463 1.00 42.24 N ATOM 548 CA VAL A 35 0.996 4.631 -3.924 1.00 5.34 C ATOM 549 C VAL A 35 -0.332 3.966 -4.264 1.00 72.21 C ATOM 550 O VAL A 35 -0.385 2.768 -4.541 1.00 65.44 O ATOM 551 CB VAL A 35 1.183 4.628 -2.395 1.00 30.33 C ATOM 552 CG1 VAL A 35 1.056 3.215 -1.844 1.00 55.44 C ATOM 553 CG2 VAL A 35 2.527 5.235 -2.021 1.00 14.22 C ATOM 0 H VAL A 35 1.375 6.689 -3.797 1.00 42.24 H new ATOM 0 HA VAL A 35 1.808 4.068 -4.384 1.00 5.34 H new ATOM 0 HB VAL A 35 0.398 5.239 -1.950 1.00 30.33 H new ATOM 0 HG11 VAL A 35 1.191 3.233 -0.763 1.00 55.44 H new ATOM 0 HG12 VAL A 35 0.068 2.820 -2.080 1.00 55.44 H new ATOM 0 HG13 VAL A 35 1.818 2.579 -2.294 1.00 55.44 H new ATOM 0 HG21 VAL A 35 2.642 5.225 -0.937 1.00 14.22 H new ATOM 0 HG22 VAL A 35 3.328 4.653 -2.476 1.00 14.22 H new ATOM 0 HG23 VAL A 35 2.575 6.263 -2.381 1.00 14.22 H new ATOM 563 N TRP A 36 -1.403 4.751 -4.242 1.00 32.44 N ATOM 564 CA TRP A 36 -2.733 4.237 -4.549 1.00 14.13 C ATOM 565 C TRP A 36 -2.815 3.768 -5.997 1.00 41.53 C ATOM 566 O TRP A 36 -3.347 2.696 -6.283 1.00 41.33 O ATOM 567 CB TRP A 36 -3.790 5.311 -4.287 1.00 12.40 C ATOM 568 CG TRP A 36 -5.179 4.879 -4.650 1.00 2.52 C ATOM 569 CD1 TRP A 36 -6.009 4.085 -3.912 1.00 71.10 C ATOM 570 CD2 TRP A 36 -5.897 5.217 -5.841 1.00 55.22 C ATOM 571 NE1 TRP A 36 -7.201 3.908 -4.573 1.00 43.30 N ATOM 572 CE2 TRP A 36 -7.158 4.593 -5.758 1.00 42.44 C ATOM 573 CE3 TRP A 36 -5.600 5.987 -6.969 1.00 11.44 C ATOM 574 CZ2 TRP A 36 -8.116 4.716 -6.761 1.00 11.42 C ATOM 575 CZ3 TRP A 36 -6.552 6.108 -7.963 1.00 12.22 C ATOM 576 CH2 TRP A 36 -7.798 5.476 -7.853 1.00 51.35 C ATOM 0 H TRP A 36 -1.377 5.745 -4.015 1.00 32.44 H new ATOM 0 HA TRP A 36 -2.924 3.383 -3.899 1.00 14.13 H new ATOM 0 HB2 TRP A 36 -3.766 5.584 -3.232 1.00 12.40 H new ATOM 0 HB3 TRP A 36 -3.536 6.207 -4.854 1.00 12.40 H new ATOM 0 HD1 TRP A 36 -5.765 3.659 -2.950 1.00 71.10 H new ATOM 0 HE1 TRP A 36 -7.990 3.356 -4.236 1.00 43.30 H new ATOM 0 HE3 TRP A 36 -4.643 6.479 -7.062 1.00 11.44 H new ATOM 0 HZ2 TRP A 36 -9.076 4.229 -6.680 1.00 11.42 H new ATOM 0 HZ3 TRP A 36 -6.332 6.700 -8.839 1.00 12.22 H new ATOM 0 HH2 TRP A 36 -8.522 5.591 -8.646 1.00 51.35 H new ATOM 587 N ALA A 37 -2.284 4.578 -6.908 1.00 13.55 N ATOM 588 CA ALA A 37 -2.296 4.245 -8.326 1.00 65.34 C ATOM 589 C ALA A 37 -1.399 3.046 -8.615 1.00 63.24 C ATOM 590 O ALA A 37 -1.772 2.147 -9.369 1.00 21.32 O ATOM 591 CB ALA A 37 -1.859 5.444 -9.154 1.00 52.42 C ATOM 0 H ALA A 37 -1.840 5.470 -6.688 1.00 13.55 H new ATOM 0 HA ALA A 37 -3.316 3.979 -8.603 1.00 65.34 H new ATOM 0 HB1 ALA A 37 -1.873 5.180 -10.212 1.00 52.42 H new ATOM 0 HB2 ALA A 37 -2.541 6.276 -8.978 1.00 52.42 H new ATOM 0 HB3 ALA A 37 -0.849 5.736 -8.866 1.00 52.42 H new ATOM 597 N SER A 38 -0.214 3.040 -8.012 1.00 71.35 N ATOM 598 CA SER A 38 0.738 1.953 -8.209 1.00 61.11 C ATOM 599 C SER A 38 0.109 0.609 -7.856 1.00 31.33 C ATOM 600 O SER A 38 0.366 -0.401 -8.511 1.00 41.04 O ATOM 601 CB SER A 38 1.989 2.183 -7.359 1.00 21.42 C ATOM 602 OG SER A 38 2.530 3.473 -7.586 1.00 21.54 O ATOM 0 H SER A 38 0.109 3.775 -7.383 1.00 71.35 H new ATOM 0 HA SER A 38 1.020 1.936 -9.262 1.00 61.11 H new ATOM 0 HB2 SER A 38 1.741 2.070 -6.304 1.00 21.42 H new ATOM 0 HB3 SER A 38 2.736 1.425 -7.594 1.00 21.42 H new ATOM 0 HG SER A 38 1.977 4.144 -7.134 1.00 21.54 H new ATOM 608 N ARG A 39 -0.717 0.605 -6.814 1.00 60.34 N ATOM 609 CA ARG A 39 -1.383 -0.615 -6.372 1.00 4.40 C ATOM 610 C ARG A 39 -2.637 -0.880 -7.199 1.00 12.10 C ATOM 611 O ARG A 39 -3.266 -1.929 -7.070 1.00 34.44 O ATOM 612 CB ARG A 39 -1.748 -0.513 -4.890 1.00 1.41 C ATOM 613 CG ARG A 39 -0.547 -0.584 -3.960 1.00 74.34 C ATOM 614 CD ARG A 39 -0.207 -2.022 -3.600 1.00 11.00 C ATOM 615 NE ARG A 39 -1.105 -2.558 -2.580 1.00 43.30 N ATOM 616 CZ ARG A 39 -1.243 -3.855 -2.331 1.00 21.12 C ATOM 617 NH1 ARG A 39 -0.545 -4.745 -3.024 1.00 14.43 N ATOM 618 NH2 ARG A 39 -2.080 -4.265 -1.386 1.00 61.03 N ATOM 0 H ARG A 39 -0.941 1.432 -6.261 1.00 60.34 H new ATOM 0 HA ARG A 39 -0.694 -1.447 -6.513 1.00 4.40 H new ATOM 0 HB2 ARG A 39 -2.275 0.426 -4.718 1.00 1.41 H new ATOM 0 HB3 ARG A 39 -2.439 -1.317 -4.639 1.00 1.41 H new ATOM 0 HG2 ARG A 39 0.313 -0.114 -4.437 1.00 74.34 H new ATOM 0 HG3 ARG A 39 -0.755 -0.019 -3.051 1.00 74.34 H new ATOM 0 HD2 ARG A 39 -0.263 -2.642 -4.494 1.00 11.00 H new ATOM 0 HD3 ARG A 39 0.821 -2.072 -3.241 1.00 11.00 H new ATOM 0 HE ARG A 39 -1.656 -1.900 -2.029 1.00 43.30 H new ATOM 0 HH11 ARG A 39 0.100 -4.434 -3.750 1.00 14.43 H new ATOM 0 HH12 ARG A 39 -0.653 -5.741 -2.830 1.00 14.43 H new ATOM 0 HH21 ARG A 39 -2.618 -3.584 -0.850 1.00 61.03 H new ATOM 0 HH22 ARG A 39 -2.185 -5.261 -1.195 1.00 61.03 H new ATOM 632 N GLU A 40 -2.994 0.079 -8.048 1.00 11.03 N ATOM 633 CA GLU A 40 -4.174 -0.051 -8.894 1.00 73.42 C ATOM 634 C GLU A 40 -3.811 -0.665 -10.243 1.00 41.14 C ATOM 635 O GLU A 40 -4.511 -1.545 -10.747 1.00 3.31 O ATOM 636 CB GLU A 40 -4.833 1.314 -9.103 1.00 62.12 C ATOM 637 CG GLU A 40 -6.351 1.269 -9.066 1.00 51.33 C ATOM 638 CD GLU A 40 -6.962 1.048 -10.437 1.00 3.24 C ATOM 639 OE1 GLU A 40 -6.214 0.680 -11.366 1.00 65.23 O ATOM 640 OE2 GLU A 40 -8.187 1.244 -10.579 1.00 63.45 O ATOM 0 H GLU A 40 -2.483 0.954 -8.168 1.00 11.03 H new ATOM 0 HA GLU A 40 -4.879 -0.713 -8.391 1.00 73.42 H new ATOM 0 HB2 GLU A 40 -4.479 2.000 -8.334 1.00 62.12 H new ATOM 0 HB3 GLU A 40 -4.513 1.719 -10.063 1.00 62.12 H new ATOM 0 HG2 GLU A 40 -6.671 0.470 -8.397 1.00 51.33 H new ATOM 0 HG3 GLU A 40 -6.728 2.203 -8.650 1.00 51.33 H new ATOM 647 N LEU A 41 -2.713 -0.194 -10.824 1.00 23.20 N ATOM 648 CA LEU A 41 -2.255 -0.695 -12.115 1.00 73.24 C ATOM 649 C LEU A 41 -2.136 -2.216 -12.099 1.00 12.25 C ATOM 650 O LEU A 41 -2.480 -2.885 -13.072 1.00 33.11 O ATOM 651 CB LEU A 41 -0.907 -0.071 -12.478 1.00 42.33 C ATOM 652 CG LEU A 41 -0.964 1.240 -13.263 1.00 42.24 C ATOM 653 CD1 LEU A 41 0.439 1.764 -13.530 1.00 52.10 C ATOM 654 CD2 LEU A 41 -1.720 1.047 -14.570 1.00 13.24 C ATOM 0 H LEU A 41 -2.123 0.534 -10.421 1.00 23.20 H new ATOM 0 HA LEU A 41 -2.993 -0.415 -12.867 1.00 73.24 H new ATOM 0 HB2 LEU A 41 -0.351 0.104 -11.557 1.00 42.33 H new ATOM 0 HB3 LEU A 41 -0.339 -0.796 -13.061 1.00 42.33 H new ATOM 0 HG LEU A 41 -1.497 1.977 -12.663 1.00 42.24 H new ATOM 0 HD11 LEU A 41 0.378 2.697 -14.090 1.00 52.10 H new ATOM 0 HD12 LEU A 41 0.948 1.941 -12.582 1.00 52.10 H new ATOM 0 HD13 LEU A 41 0.998 1.029 -14.110 1.00 52.10 H new ATOM 0 HD21 LEU A 41 -1.751 1.990 -15.115 1.00 13.24 H new ATOM 0 HD22 LEU A 41 -1.215 0.294 -15.175 1.00 13.24 H new ATOM 0 HD23 LEU A 41 -2.737 0.718 -14.357 1.00 13.24 H new ATOM 666 N GLU A 42 -1.649 -2.754 -10.985 1.00 3.21 N ATOM 667 CA GLU A 42 -1.486 -4.196 -10.842 1.00 12.24 C ATOM 668 C GLU A 42 -2.810 -4.918 -11.072 1.00 75.12 C ATOM 669 O GLU A 42 -2.834 -6.076 -11.490 1.00 44.24 O ATOM 670 CB GLU A 42 -0.943 -4.535 -9.452 1.00 11.42 C ATOM 671 CG GLU A 42 0.498 -5.017 -9.462 1.00 73.24 C ATOM 672 CD GLU A 42 0.628 -6.474 -9.061 1.00 50.34 C ATOM 673 OE1 GLU A 42 0.273 -7.349 -9.878 1.00 51.34 O ATOM 674 OE2 GLU A 42 1.086 -6.738 -7.930 1.00 33.21 O ATOM 0 H GLU A 42 -1.361 -2.214 -10.169 1.00 3.21 H new ATOM 0 HA GLU A 42 -0.773 -4.532 -11.595 1.00 12.24 H new ATOM 0 HB2 GLU A 42 -1.018 -3.652 -8.817 1.00 11.42 H new ATOM 0 HB3 GLU A 42 -1.571 -5.304 -9.003 1.00 11.42 H new ATOM 0 HG2 GLU A 42 0.916 -4.880 -10.459 1.00 73.24 H new ATOM 0 HG3 GLU A 42 1.088 -4.403 -8.782 1.00 73.24 H new ATOM 681 N ARG A 43 -3.911 -4.226 -10.796 1.00 30.22 N ATOM 682 CA ARG A 43 -5.239 -4.801 -10.971 1.00 72.30 C ATOM 683 C ARG A 43 -5.714 -4.644 -12.413 1.00 22.43 C ATOM 684 O ARG A 43 -6.647 -5.320 -12.847 1.00 41.12 O ATOM 685 CB ARG A 43 -6.236 -4.137 -10.020 1.00 3.55 C ATOM 686 CG ARG A 43 -6.934 -5.114 -9.088 1.00 65.11 C ATOM 687 CD ARG A 43 -8.430 -5.162 -9.351 1.00 75.53 C ATOM 688 NE ARG A 43 -9.120 -6.060 -8.428 1.00 63.23 N ATOM 689 CZ ARG A 43 -10.439 -6.081 -8.270 1.00 45.52 C ATOM 690 NH1 ARG A 43 -11.206 -5.257 -8.970 1.00 53.12 N ATOM 691 NH2 ARG A 43 -10.992 -6.927 -7.411 1.00 1.53 N ATOM 0 H ARG A 43 -3.909 -3.266 -10.450 1.00 30.22 H new ATOM 0 HA ARG A 43 -5.180 -5.864 -10.739 1.00 72.30 H new ATOM 0 HB2 ARG A 43 -5.713 -3.390 -9.423 1.00 3.55 H new ATOM 0 HB3 ARG A 43 -6.987 -3.608 -10.606 1.00 3.55 H new ATOM 0 HG2 ARG A 43 -6.509 -6.109 -9.217 1.00 65.11 H new ATOM 0 HG3 ARG A 43 -6.755 -4.823 -8.053 1.00 65.11 H new ATOM 0 HD2 ARG A 43 -8.846 -4.159 -9.260 1.00 75.53 H new ATOM 0 HD3 ARG A 43 -8.608 -5.489 -10.376 1.00 75.53 H new ATOM 0 HE ARG A 43 -8.558 -6.707 -7.874 1.00 63.23 H new ATOM 0 HH11 ARG A 43 -10.784 -4.605 -9.631 1.00 53.12 H new ATOM 0 HH12 ARG A 43 -12.218 -5.275 -8.847 1.00 53.12 H new ATOM 0 HH21 ARG A 43 -10.404 -7.562 -6.871 1.00 1.53 H new ATOM 0 HH22 ARG A 43 -12.005 -6.942 -7.290 1.00 1.53 H new ATOM 705 N PHE A 44 -5.065 -3.748 -13.149 1.00 74.34 N ATOM 706 CA PHE A 44 -5.422 -3.501 -14.542 1.00 22.24 C ATOM 707 C PHE A 44 -4.485 -4.251 -15.484 1.00 71.22 C ATOM 708 O PHE A 44 -4.302 -3.859 -16.636 1.00 73.33 O ATOM 709 CB PHE A 44 -5.375 -2.002 -14.844 1.00 23.01 C ATOM 710 CG PHE A 44 -6.692 -1.309 -14.646 1.00 14.11 C ATOM 711 CD1 PHE A 44 -7.220 -1.145 -13.375 1.00 71.24 C ATOM 712 CD2 PHE A 44 -7.404 -0.821 -15.731 1.00 24.54 C ATOM 713 CE1 PHE A 44 -8.432 -0.507 -13.190 1.00 33.54 C ATOM 714 CE2 PHE A 44 -8.616 -0.183 -15.551 1.00 41.40 C ATOM 715 CZ PHE A 44 -9.132 -0.027 -14.279 1.00 45.51 C ATOM 0 H PHE A 44 -4.290 -3.181 -12.805 1.00 74.34 H new ATOM 0 HA PHE A 44 -6.437 -3.865 -14.702 1.00 22.24 H new ATOM 0 HB2 PHE A 44 -4.627 -1.534 -14.204 1.00 23.01 H new ATOM 0 HB3 PHE A 44 -5.049 -1.857 -15.874 1.00 23.01 H new ATOM 0 HD1 PHE A 44 -6.678 -1.520 -12.519 1.00 71.24 H new ATOM 0 HD2 PHE A 44 -7.007 -0.941 -16.728 1.00 24.54 H new ATOM 0 HE1 PHE A 44 -8.831 -0.384 -12.194 1.00 33.54 H new ATOM 0 HE2 PHE A 44 -9.160 0.194 -16.405 1.00 41.40 H new ATOM 0 HZ PHE A 44 -10.081 0.469 -14.137 1.00 45.51 H new ATOM 725 N ALA A 45 -3.894 -5.332 -14.985 1.00 41.21 N ATOM 726 CA ALA A 45 -2.977 -6.138 -15.782 1.00 14.12 C ATOM 727 C ALA A 45 -1.732 -5.342 -16.159 1.00 75.21 C ATOM 728 O ALA A 45 -1.095 -5.613 -17.177 1.00 53.21 O ATOM 729 CB ALA A 45 -3.677 -6.652 -17.032 1.00 4.23 C ATOM 0 H ALA A 45 -4.034 -5.670 -14.033 1.00 41.21 H new ATOM 0 HA ALA A 45 -2.662 -6.990 -15.179 1.00 14.12 H new ATOM 0 HB1 ALA A 45 -2.981 -7.252 -17.618 1.00 4.23 H new ATOM 0 HB2 ALA A 45 -4.532 -7.265 -16.745 1.00 4.23 H new ATOM 0 HB3 ALA A 45 -4.020 -5.808 -17.630 1.00 4.23 H new ATOM 735 N VAL A 46 -1.391 -4.359 -15.333 1.00 13.35 N ATOM 736 CA VAL A 46 -0.222 -3.524 -15.579 1.00 40.55 C ATOM 737 C VAL A 46 0.695 -3.489 -14.362 1.00 43.53 C ATOM 738 O VAL A 46 0.241 -3.295 -13.236 1.00 0.14 O ATOM 739 CB VAL A 46 -0.628 -2.083 -15.944 1.00 61.23 C ATOM 740 CG1 VAL A 46 0.605 -1.215 -16.143 1.00 41.04 C ATOM 741 CG2 VAL A 46 -1.502 -2.076 -17.189 1.00 52.41 C ATOM 0 H VAL A 46 -1.908 -4.121 -14.487 1.00 13.35 H new ATOM 0 HA VAL A 46 0.312 -3.967 -16.420 1.00 40.55 H new ATOM 0 HB VAL A 46 -1.206 -1.666 -15.119 1.00 61.23 H new ATOM 0 HG11 VAL A 46 0.299 -0.201 -16.400 1.00 41.04 H new ATOM 0 HG12 VAL A 46 1.189 -1.195 -15.223 1.00 41.04 H new ATOM 0 HG13 VAL A 46 1.213 -1.626 -16.949 1.00 41.04 H new ATOM 0 HG21 VAL A 46 -1.780 -1.051 -17.433 1.00 52.41 H new ATOM 0 HG22 VAL A 46 -0.951 -2.511 -18.023 1.00 52.41 H new ATOM 0 HG23 VAL A 46 -2.403 -2.662 -17.005 1.00 52.41 H new ATOM 751 N ASN A 47 1.990 -3.677 -14.598 1.00 53.10 N ATOM 752 CA ASN A 47 2.972 -3.667 -13.520 1.00 42.13 C ATOM 753 C ASN A 47 3.261 -2.241 -13.061 1.00 24.11 C ATOM 754 O ASN A 47 3.353 -1.311 -13.862 1.00 42.22 O ATOM 755 CB ASN A 47 4.268 -4.340 -13.977 1.00 70.11 C ATOM 756 CG ASN A 47 4.700 -5.455 -13.044 1.00 44.14 C ATOM 757 OD1 ASN A 47 5.616 -5.285 -12.239 1.00 31.41 O ATOM 758 ND2 ASN A 47 4.042 -6.603 -13.150 1.00 33.23 N ATOM 0 H ASN A 47 2.383 -3.838 -15.525 1.00 53.10 H new ATOM 0 HA ASN A 47 2.558 -4.224 -12.679 1.00 42.13 H new ATOM 0 HB2 ASN A 47 4.131 -4.742 -14.981 1.00 70.11 H new ATOM 0 HB3 ASN A 47 5.060 -3.594 -14.038 1.00 70.11 H new ATOM 0 HD21 ASN A 47 4.289 -7.390 -12.550 1.00 33.23 H new ATOM 0 HD22 ASN A 47 3.289 -6.698 -13.832 1.00 33.23 H new ATOM 765 N PRO A 48 3.409 -2.064 -11.740 1.00 2.43 N ATOM 766 CA PRO A 48 3.691 -0.754 -11.143 1.00 64.55 C ATOM 767 C PRO A 48 5.098 -0.262 -11.466 1.00 52.51 C ATOM 768 O PRO A 48 5.458 0.871 -11.146 1.00 71.54 O ATOM 769 CB PRO A 48 3.546 -1.010 -9.641 1.00 72.03 C ATOM 770 CG PRO A 48 3.822 -2.465 -9.476 1.00 11.40 C ATOM 771 CD PRO A 48 3.313 -3.127 -10.726 1.00 71.41 C ATOM 0 HA PRO A 48 3.024 0.020 -11.523 1.00 64.55 H new ATOM 0 HB2 PRO A 48 4.249 -0.406 -9.067 1.00 72.03 H new ATOM 0 HB3 PRO A 48 2.546 -0.755 -9.291 1.00 72.03 H new ATOM 0 HG2 PRO A 48 4.889 -2.647 -9.344 1.00 11.40 H new ATOM 0 HG3 PRO A 48 3.320 -2.860 -8.593 1.00 11.40 H new ATOM 0 HD2 PRO A 48 3.916 -3.994 -10.995 1.00 71.41 H new ATOM 0 HD3 PRO A 48 2.287 -3.476 -10.606 1.00 71.41 H new ATOM 779 N GLY A 49 5.889 -1.120 -12.103 1.00 5.45 N ATOM 780 CA GLY A 49 7.248 -0.752 -12.458 1.00 73.41 C ATOM 781 C GLY A 49 7.305 0.143 -13.680 1.00 2.45 C ATOM 782 O GLY A 49 8.379 0.602 -14.072 1.00 72.05 O ATOM 0 H GLY A 49 5.614 -2.062 -12.379 1.00 5.45 H new ATOM 0 HA2 GLY A 49 7.715 -0.242 -11.616 1.00 73.41 H new ATOM 0 HA3 GLY A 49 7.829 -1.655 -12.645 1.00 73.41 H new ATOM 786 N LEU A 50 6.148 0.393 -14.283 1.00 65.32 N ATOM 787 CA LEU A 50 6.071 1.239 -15.469 1.00 61.21 C ATOM 788 C LEU A 50 5.906 2.705 -15.082 1.00 63.03 C ATOM 789 O LEU A 50 6.357 3.601 -15.797 1.00 4.22 O ATOM 790 CB LEU A 50 4.906 0.800 -16.358 1.00 31.13 C ATOM 791 CG LEU A 50 4.918 -0.662 -16.807 1.00 41.54 C ATOM 792 CD1 LEU A 50 3.579 -1.044 -17.418 1.00 15.54 C ATOM 793 CD2 LEU A 50 6.047 -0.905 -17.799 1.00 33.02 C ATOM 0 H LEU A 50 5.251 0.022 -13.970 1.00 65.32 H new ATOM 0 HA LEU A 50 7.003 1.131 -16.023 1.00 61.21 H new ATOM 0 HB2 LEU A 50 3.976 0.987 -15.822 1.00 31.13 H new ATOM 0 HB3 LEU A 50 4.895 1.432 -17.246 1.00 31.13 H new ATOM 0 HG LEU A 50 5.087 -1.290 -15.932 1.00 41.54 H new ATOM 0 HD11 LEU A 50 3.607 -2.088 -17.732 1.00 15.54 H new ATOM 0 HD12 LEU A 50 2.790 -0.908 -16.679 1.00 15.54 H new ATOM 0 HD13 LEU A 50 3.380 -0.411 -18.282 1.00 15.54 H new ATOM 0 HD21 LEU A 50 6.041 -1.950 -18.108 1.00 33.02 H new ATOM 0 HD22 LEU A 50 5.908 -0.268 -18.672 1.00 33.02 H new ATOM 0 HD23 LEU A 50 7.002 -0.671 -17.328 1.00 33.02 H new ATOM 805 N LEU A 51 5.259 2.943 -13.947 1.00 24.44 N ATOM 806 CA LEU A 51 5.037 4.301 -13.463 1.00 32.45 C ATOM 807 C LEU A 51 6.360 4.986 -13.136 1.00 52.13 C ATOM 808 O LEU A 51 6.431 6.212 -13.055 1.00 34.21 O ATOM 809 CB LEU A 51 4.140 4.281 -12.223 1.00 64.12 C ATOM 810 CG LEU A 51 2.706 3.798 -12.440 1.00 71.31 C ATOM 811 CD1 LEU A 51 2.068 3.407 -11.116 1.00 24.12 C ATOM 812 CD2 LEU A 51 1.881 4.871 -13.135 1.00 50.11 C ATOM 0 H LEU A 51 4.879 2.213 -13.344 1.00 24.44 H new ATOM 0 HA LEU A 51 4.542 4.866 -14.253 1.00 32.45 H new ATOM 0 HB2 LEU A 51 4.607 3.644 -11.472 1.00 64.12 H new ATOM 0 HB3 LEU A 51 4.104 5.289 -11.809 1.00 64.12 H new ATOM 0 HG LEU A 51 2.733 2.917 -13.081 1.00 71.31 H new ATOM 0 HD11 LEU A 51 1.048 3.066 -11.291 1.00 24.12 H new ATOM 0 HD12 LEU A 51 2.645 2.605 -10.657 1.00 24.12 H new ATOM 0 HD13 LEU A 51 2.053 4.270 -10.450 1.00 24.12 H new ATOM 0 HD21 LEU A 51 0.863 4.510 -13.281 1.00 50.11 H new ATOM 0 HD22 LEU A 51 1.862 5.771 -12.520 1.00 50.11 H new ATOM 0 HD23 LEU A 51 2.326 5.103 -14.103 1.00 50.11 H new ATOM 824 N GLU A 52 7.406 4.186 -12.953 1.00 14.11 N ATOM 825 CA GLU A 52 8.727 4.717 -12.637 1.00 75.11 C ATOM 826 C GLU A 52 9.372 5.339 -13.872 1.00 2.11 C ATOM 827 O GLU A 52 10.331 6.105 -13.767 1.00 21.32 O ATOM 828 CB GLU A 52 9.625 3.611 -12.081 1.00 24.25 C ATOM 829 CG GLU A 52 10.163 2.669 -13.145 1.00 55.55 C ATOM 830 CD GLU A 52 11.651 2.842 -13.380 1.00 13.21 C ATOM 831 OE1 GLU A 52 12.157 3.965 -13.171 1.00 22.40 O ATOM 832 OE2 GLU A 52 12.308 1.856 -13.772 1.00 45.13 O ATOM 0 H GLU A 52 7.364 3.169 -13.018 1.00 14.11 H new ATOM 0 HA GLU A 52 8.608 5.493 -11.881 1.00 75.11 H new ATOM 0 HB2 GLU A 52 10.463 4.066 -11.554 1.00 24.25 H new ATOM 0 HB3 GLU A 52 9.063 3.033 -11.347 1.00 24.25 H new ATOM 0 HG2 GLU A 52 9.963 1.639 -12.848 1.00 55.55 H new ATOM 0 HG3 GLU A 52 9.629 2.840 -14.080 1.00 55.55 H new ATOM 839 N THR A 53 8.840 5.004 -15.043 1.00 50.12 N ATOM 840 CA THR A 53 9.364 5.527 -16.298 1.00 41.35 C ATOM 841 C THR A 53 8.310 6.345 -17.036 1.00 60.22 C ATOM 842 O THR A 53 7.179 5.896 -17.220 1.00 33.33 O ATOM 843 CB THR A 53 9.855 4.393 -17.218 1.00 53.55 C ATOM 844 OG1 THR A 53 8.744 3.804 -17.904 1.00 23.53 O ATOM 845 CG2 THR A 53 10.588 3.327 -16.419 1.00 44.22 C ATOM 0 H THR A 53 8.046 4.372 -15.148 1.00 50.12 H new ATOM 0 HA THR A 53 10.207 6.170 -16.045 1.00 41.35 H new ATOM 0 HB THR A 53 10.547 4.818 -17.945 1.00 53.55 H new ATOM 0 HG1 THR A 53 7.962 3.795 -17.313 1.00 23.53 H new ATOM 0 HG21 THR A 53 10.925 2.537 -17.090 1.00 44.22 H new ATOM 0 HG22 THR A 53 11.449 3.773 -15.922 1.00 44.22 H new ATOM 0 HG23 THR A 53 9.916 2.906 -15.672 1.00 44.22 H new ATOM 853 N SER A 54 8.689 7.547 -17.458 1.00 15.20 N ATOM 854 CA SER A 54 7.774 8.429 -18.174 1.00 10.03 C ATOM 855 C SER A 54 7.087 7.687 -19.316 1.00 53.41 C ATOM 856 O SER A 54 5.924 7.945 -19.626 1.00 70.30 O ATOM 857 CB SER A 54 8.526 9.644 -18.719 1.00 42.52 C ATOM 858 OG SER A 54 8.774 9.510 -20.108 1.00 31.21 O ATOM 0 H SER A 54 9.623 7.932 -17.317 1.00 15.20 H new ATOM 0 HA SER A 54 7.011 8.767 -17.473 1.00 10.03 H new ATOM 0 HB2 SER A 54 7.945 10.548 -18.536 1.00 42.52 H new ATOM 0 HB3 SER A 54 9.471 9.759 -18.187 1.00 42.52 H new ATOM 0 HG SER A 54 9.254 10.300 -20.432 1.00 31.21 H new ATOM 864 N GLU A 55 7.815 6.766 -19.938 1.00 63.31 N ATOM 865 CA GLU A 55 7.276 5.987 -21.047 1.00 3.00 C ATOM 866 C GLU A 55 6.123 5.103 -20.581 1.00 53.41 C ATOM 867 O GLU A 55 5.116 4.962 -21.273 1.00 54.44 O ATOM 868 CB GLU A 55 8.373 5.124 -21.674 1.00 3.00 C ATOM 869 CG GLU A 55 8.297 5.050 -23.190 1.00 23.53 C ATOM 870 CD GLU A 55 9.549 4.458 -23.808 1.00 41.22 C ATOM 871 OE1 GLU A 55 9.715 3.222 -23.747 1.00 53.13 O ATOM 872 OE2 GLU A 55 10.363 5.233 -24.354 1.00 23.54 O ATOM 0 H GLU A 55 8.779 6.541 -19.693 1.00 63.31 H new ATOM 0 HA GLU A 55 6.898 6.683 -21.796 1.00 3.00 H new ATOM 0 HB2 GLU A 55 9.346 5.522 -21.386 1.00 3.00 H new ATOM 0 HB3 GLU A 55 8.308 4.115 -21.266 1.00 3.00 H new ATOM 0 HG2 GLU A 55 7.435 4.449 -23.478 1.00 23.53 H new ATOM 0 HG3 GLU A 55 8.136 6.051 -23.591 1.00 23.53 H new ATOM 879 N GLY A 56 6.279 4.509 -19.402 1.00 13.32 N ATOM 880 CA GLY A 56 5.244 3.646 -18.863 1.00 53.23 C ATOM 881 C GLY A 56 3.916 4.360 -18.709 1.00 54.31 C ATOM 882 O GLY A 56 2.879 3.858 -19.146 1.00 0.51 O ATOM 0 H GLY A 56 7.104 4.610 -18.810 1.00 13.32 H new ATOM 0 HA2 GLY A 56 5.116 2.784 -19.518 1.00 53.23 H new ATOM 0 HA3 GLY A 56 5.562 3.264 -17.893 1.00 53.23 H new ATOM 886 N CYS A 57 3.945 5.533 -18.085 1.00 61.35 N ATOM 887 CA CYS A 57 2.733 6.316 -17.872 1.00 43.13 C ATOM 888 C CYS A 57 2.087 6.690 -19.202 1.00 51.51 C ATOM 889 O CYS A 57 0.901 6.441 -19.419 1.00 41.12 O ATOM 890 CB CYS A 57 3.052 7.580 -17.073 1.00 3.14 C ATOM 891 SG CYS A 57 3.256 7.299 -15.298 1.00 52.21 S ATOM 0 H CYS A 57 4.794 5.962 -17.718 1.00 61.35 H new ATOM 0 HA CYS A 57 2.030 5.705 -17.306 1.00 43.13 H new ATOM 0 HB2 CYS A 57 3.966 8.025 -17.467 1.00 3.14 H new ATOM 0 HB3 CYS A 57 2.253 8.305 -17.226 1.00 3.14 H new ATOM 0 HG CYS A 57 3.525 8.426 -14.708 1.00 52.21 H new ATOM 897 N ARG A 58 2.874 7.292 -20.088 1.00 61.10 N ATOM 898 CA ARG A 58 2.378 7.704 -21.396 1.00 32.44 C ATOM 899 C ARG A 58 1.592 6.576 -22.059 1.00 10.15 C ATOM 900 O ARG A 58 0.606 6.820 -22.753 1.00 34.22 O ATOM 901 CB ARG A 58 3.540 8.127 -22.296 1.00 10.44 C ATOM 902 CG ARG A 58 3.330 9.475 -22.967 1.00 61.55 C ATOM 903 CD ARG A 58 4.579 9.929 -23.707 1.00 74.54 C ATOM 904 NE ARG A 58 4.276 10.926 -24.731 1.00 23.24 N ATOM 905 CZ ARG A 58 5.197 11.482 -25.510 1.00 62.51 C ATOM 906 NH1 ARG A 58 6.472 11.139 -25.384 1.00 33.30 N ATOM 907 NH2 ARG A 58 4.844 12.382 -26.418 1.00 72.14 N ATOM 0 H ARG A 58 3.858 7.505 -19.924 1.00 61.10 H new ATOM 0 HA ARG A 58 1.711 8.554 -21.252 1.00 32.44 H new ATOM 0 HB2 ARG A 58 4.453 8.164 -21.703 1.00 10.44 H new ATOM 0 HB3 ARG A 58 3.689 7.368 -23.064 1.00 10.44 H new ATOM 0 HG2 ARG A 58 2.496 9.409 -23.665 1.00 61.55 H new ATOM 0 HG3 ARG A 58 3.060 10.218 -22.217 1.00 61.55 H new ATOM 0 HD2 ARG A 58 5.291 10.346 -22.995 1.00 74.54 H new ATOM 0 HD3 ARG A 58 5.059 9.067 -24.171 1.00 74.54 H new ATOM 0 HE ARG A 58 3.304 11.211 -24.854 1.00 23.24 H new ATOM 0 HH11 ARG A 58 6.747 10.447 -24.688 1.00 33.30 H new ATOM 0 HH12 ARG A 58 7.177 11.568 -25.984 1.00 33.30 H new ATOM 0 HH21 ARG A 58 3.864 12.648 -26.519 1.00 72.14 H new ATOM 0 HH22 ARG A 58 5.552 12.808 -27.016 1.00 72.14 H new ATOM 921 N GLN A 59 2.037 5.343 -21.839 1.00 41.13 N ATOM 922 CA GLN A 59 1.376 4.179 -22.417 1.00 31.23 C ATOM 923 C GLN A 59 0.104 3.838 -21.648 1.00 15.31 C ATOM 924 O GLN A 59 -0.910 3.466 -22.240 1.00 1.10 O ATOM 925 CB GLN A 59 2.322 2.977 -22.418 1.00 22.01 C ATOM 926 CG GLN A 59 2.274 2.166 -23.703 1.00 20.02 C ATOM 927 CD GLN A 59 2.339 0.672 -23.453 1.00 10.22 C ATOM 928 OE1 GLN A 59 3.401 0.059 -23.559 1.00 64.15 O ATOM 929 NE2 GLN A 59 1.200 0.078 -23.118 1.00 31.43 N ATOM 0 H GLN A 59 2.852 5.125 -21.265 1.00 41.13 H new ATOM 0 HA GLN A 59 1.105 4.420 -23.445 1.00 31.23 H new ATOM 0 HB2 GLN A 59 3.342 3.327 -22.257 1.00 22.01 H new ATOM 0 HB3 GLN A 59 2.072 2.328 -21.579 1.00 22.01 H new ATOM 0 HG2 GLN A 59 1.356 2.401 -24.242 1.00 20.02 H new ATOM 0 HG3 GLN A 59 3.105 2.460 -24.345 1.00 20.02 H new ATOM 0 HE21 GLN A 59 0.343 0.625 -23.042 1.00 31.43 H new ATOM 0 HE22 GLN A 59 1.182 -0.926 -22.937 1.00 31.43 H new ATOM 938 N ILE A 60 0.164 3.968 -20.327 1.00 31.11 N ATOM 939 CA ILE A 60 -0.984 3.675 -19.478 1.00 30.52 C ATOM 940 C ILE A 60 -2.124 4.654 -19.737 1.00 22.14 C ATOM 941 O ILE A 60 -3.271 4.251 -19.932 1.00 72.21 O ATOM 942 CB ILE A 60 -0.608 3.725 -17.985 1.00 63.12 C ATOM 943 CG1 ILE A 60 0.489 2.703 -17.679 1.00 31.15 C ATOM 944 CG2 ILE A 60 -1.834 3.470 -17.121 1.00 64.01 C ATOM 945 CD1 ILE A 60 1.412 3.125 -16.557 1.00 50.31 C ATOM 0 H ILE A 60 0.995 4.274 -19.822 1.00 31.11 H new ATOM 0 HA ILE A 60 -1.311 2.666 -19.728 1.00 30.52 H new ATOM 0 HB ILE A 60 -0.226 4.720 -17.754 1.00 63.12 H new ATOM 0 HG12 ILE A 60 0.025 1.751 -17.419 1.00 31.15 H new ATOM 0 HG13 ILE A 60 1.079 2.534 -18.580 1.00 31.15 H new ATOM 0 HG21 ILE A 60 -1.552 3.509 -16.069 1.00 64.01 H new ATOM 0 HG22 ILE A 60 -2.587 4.232 -17.323 1.00 64.01 H new ATOM 0 HG23 ILE A 60 -2.243 2.486 -17.351 1.00 64.01 H new ATOM 0 HD11 ILE A 60 2.164 2.353 -16.395 1.00 50.31 H new ATOM 0 HD12 ILE A 60 1.904 4.061 -16.823 1.00 50.31 H new ATOM 0 HD13 ILE A 60 0.834 3.266 -15.644 1.00 50.31 H new ATOM 957 N LEU A 61 -1.800 5.942 -19.738 1.00 53.31 N ATOM 958 CA LEU A 61 -2.797 6.981 -19.975 1.00 43.11 C ATOM 959 C LEU A 61 -3.412 6.839 -21.364 1.00 31.24 C ATOM 960 O LEU A 61 -4.603 7.080 -21.554 1.00 13.34 O ATOM 961 CB LEU A 61 -2.164 8.366 -19.825 1.00 34.24 C ATOM 962 CG LEU A 61 -1.610 8.703 -18.440 1.00 42.52 C ATOM 963 CD1 LEU A 61 -0.379 9.589 -18.560 1.00 20.34 C ATOM 964 CD2 LEU A 61 -2.675 9.380 -17.589 1.00 61.24 C ATOM 0 H LEU A 61 -0.856 6.292 -19.578 1.00 53.31 H new ATOM 0 HA LEU A 61 -3.588 6.867 -19.234 1.00 43.11 H new ATOM 0 HB2 LEU A 61 -1.355 8.454 -20.550 1.00 34.24 H new ATOM 0 HB3 LEU A 61 -2.911 9.115 -20.088 1.00 34.24 H new ATOM 0 HG LEU A 61 -1.319 7.774 -17.950 1.00 42.52 H new ATOM 0 HD11 LEU A 61 0.002 9.819 -17.565 1.00 20.34 H new ATOM 0 HD12 LEU A 61 0.390 9.069 -19.132 1.00 20.34 H new ATOM 0 HD13 LEU A 61 -0.645 10.515 -19.069 1.00 20.34 H new ATOM 0 HD21 LEU A 61 -2.263 9.612 -16.607 1.00 61.24 H new ATOM 0 HD22 LEU A 61 -2.997 10.301 -18.074 1.00 61.24 H new ATOM 0 HD23 LEU A 61 -3.529 8.712 -17.475 1.00 61.24 H new ATOM 976 N GLY A 62 -2.591 6.443 -22.332 1.00 30.34 N ATOM 977 CA GLY A 62 -3.073 6.273 -23.690 1.00 30.32 C ATOM 978 C GLY A 62 -4.197 5.260 -23.784 1.00 13.44 C ATOM 979 O GLY A 62 -4.947 5.246 -24.759 1.00 71.34 O ATOM 0 H GLY A 62 -1.601 6.237 -22.200 1.00 30.34 H new ATOM 0 HA2 GLY A 62 -3.420 7.233 -24.072 1.00 30.32 H new ATOM 0 HA3 GLY A 62 -2.248 5.956 -24.328 1.00 30.32 H new ATOM 983 N GLN A 63 -4.313 4.411 -22.768 1.00 14.44 N ATOM 984 CA GLN A 63 -5.353 3.390 -22.742 1.00 32.53 C ATOM 985 C GLN A 63 -6.606 3.905 -22.041 1.00 41.22 C ATOM 986 O GLN A 63 -7.727 3.631 -22.470 1.00 75.41 O ATOM 987 CB GLN A 63 -4.843 2.131 -22.039 1.00 20.55 C ATOM 988 CG GLN A 63 -4.576 0.971 -22.985 1.00 1.13 C ATOM 989 CD GLN A 63 -3.497 0.037 -22.473 1.00 73.21 C ATOM 990 OE1 GLN A 63 -3.476 -0.319 -21.295 1.00 32.55 O ATOM 991 NE2 GLN A 63 -2.594 -0.366 -23.359 1.00 24.02 N ATOM 0 H GLN A 63 -3.700 4.410 -21.953 1.00 14.44 H new ATOM 0 HA GLN A 63 -5.611 3.144 -23.772 1.00 32.53 H new ATOM 0 HB2 GLN A 63 -3.924 2.371 -21.504 1.00 20.55 H new ATOM 0 HB3 GLN A 63 -5.575 1.820 -21.293 1.00 20.55 H new ATOM 0 HG2 GLN A 63 -5.498 0.408 -23.133 1.00 1.13 H new ATOM 0 HG3 GLN A 63 -4.281 1.362 -23.959 1.00 1.13 H new ATOM 0 HE21 GLN A 63 -2.650 -0.046 -24.326 1.00 24.02 H new ATOM 0 HE22 GLN A 63 -1.845 -0.996 -23.073 1.00 24.02 H new ATOM 1000 N LEU A 64 -6.408 4.653 -20.961 1.00 52.23 N ATOM 1001 CA LEU A 64 -7.522 5.208 -20.200 1.00 74.32 C ATOM 1002 C LEU A 64 -8.158 6.380 -20.941 1.00 21.01 C ATOM 1003 O LEU A 64 -9.362 6.611 -20.838 1.00 12.21 O ATOM 1004 CB LEU A 64 -7.047 5.660 -18.819 1.00 1.15 C ATOM 1005 CG LEU A 64 -6.461 4.570 -17.920 1.00 40.22 C ATOM 1006 CD1 LEU A 64 -6.053 5.150 -16.575 1.00 30.34 C ATOM 1007 CD2 LEU A 64 -7.460 3.438 -17.734 1.00 74.24 C ATOM 0 H LEU A 64 -5.487 4.889 -20.593 1.00 52.23 H new ATOM 0 HA LEU A 64 -8.273 4.427 -20.081 1.00 74.32 H new ATOM 0 HB2 LEU A 64 -6.294 6.437 -18.952 1.00 1.15 H new ATOM 0 HB3 LEU A 64 -7.889 6.118 -18.299 1.00 1.15 H new ATOM 0 HG LEU A 64 -5.571 4.166 -18.403 1.00 40.22 H new ATOM 0 HD11 LEU A 64 -5.638 4.360 -15.949 1.00 30.34 H new ATOM 0 HD12 LEU A 64 -5.302 5.925 -16.726 1.00 30.34 H new ATOM 0 HD13 LEU A 64 -6.926 5.581 -16.085 1.00 30.34 H new ATOM 0 HD21 LEU A 64 -7.026 2.672 -17.092 1.00 74.24 H new ATOM 0 HD22 LEU A 64 -8.368 3.826 -17.273 1.00 74.24 H new ATOM 0 HD23 LEU A 64 -7.703 3.004 -18.704 1.00 74.24 H new ATOM 1019 N GLN A 65 -7.340 7.114 -21.688 1.00 53.42 N ATOM 1020 CA GLN A 65 -7.824 8.262 -22.447 1.00 64.43 C ATOM 1021 C GLN A 65 -9.113 7.921 -23.187 1.00 33.13 C ATOM 1022 O GLN A 65 -10.160 8.532 -22.972 1.00 75.22 O ATOM 1023 CB GLN A 65 -6.759 8.727 -23.442 1.00 60.34 C ATOM 1024 CG GLN A 65 -6.108 10.047 -23.064 1.00 1.21 C ATOM 1025 CD GLN A 65 -5.335 10.667 -24.211 1.00 53.04 C ATOM 1026 OE1 GLN A 65 -4.312 10.137 -24.644 1.00 63.41 O ATOM 1027 NE2 GLN A 65 -5.822 11.797 -24.712 1.00 33.43 N ATOM 0 H GLN A 65 -6.340 6.935 -21.784 1.00 53.42 H new ATOM 0 HA GLN A 65 -8.033 9.069 -21.744 1.00 64.43 H new ATOM 0 HB2 GLN A 65 -5.988 7.961 -23.521 1.00 60.34 H new ATOM 0 HB3 GLN A 65 -7.213 8.825 -24.428 1.00 60.34 H new ATOM 0 HG2 GLN A 65 -6.877 10.744 -22.730 1.00 1.21 H new ATOM 0 HG3 GLN A 65 -5.435 9.887 -22.222 1.00 1.21 H new ATOM 0 HE21 GLN A 65 -6.673 12.202 -24.323 1.00 33.43 H new ATOM 0 HE22 GLN A 65 -5.345 12.259 -25.486 1.00 33.43 H new ATOM 1036 N PRO A 66 -9.038 6.922 -24.079 1.00 52.41 N ATOM 1037 CA PRO A 66 -10.191 6.478 -24.868 1.00 62.33 C ATOM 1038 C PRO A 66 -11.238 5.769 -24.016 1.00 60.34 C ATOM 1039 O PRO A 66 -12.356 5.522 -24.468 1.00 60.43 O ATOM 1040 CB PRO A 66 -9.575 5.506 -25.878 1.00 75.31 C ATOM 1041 CG PRO A 66 -8.336 5.008 -25.218 1.00 33.32 C ATOM 1042 CD PRO A 66 -7.823 6.150 -24.386 1.00 4.10 C ATOM 0 HA PRO A 66 -10.718 7.314 -25.327 1.00 62.33 H new ATOM 0 HB2 PRO A 66 -10.258 4.688 -26.107 1.00 75.31 H new ATOM 0 HB3 PRO A 66 -9.348 6.005 -26.820 1.00 75.31 H new ATOM 0 HG2 PRO A 66 -8.547 4.137 -24.597 1.00 33.32 H new ATOM 0 HG3 PRO A 66 -7.596 4.701 -25.957 1.00 33.32 H new ATOM 0 HD2 PRO A 66 -7.331 5.797 -23.479 1.00 4.10 H new ATOM 0 HD3 PRO A 66 -7.094 6.749 -24.932 1.00 4.10 H new ATOM 1050 N SER A 67 -10.869 5.444 -22.781 1.00 44.24 N ATOM 1051 CA SER A 67 -11.776 4.760 -21.867 1.00 44.31 C ATOM 1052 C SER A 67 -12.469 5.757 -20.944 1.00 35.15 C ATOM 1053 O SER A 67 -13.378 5.398 -20.194 1.00 33.34 O ATOM 1054 CB SER A 67 -11.013 3.725 -21.038 1.00 71.12 C ATOM 1055 OG SER A 67 -10.589 2.639 -21.844 1.00 33.34 O ATOM 0 H SER A 67 -9.948 5.643 -22.390 1.00 44.24 H new ATOM 0 HA SER A 67 -12.536 4.251 -22.460 1.00 44.31 H new ATOM 0 HB2 SER A 67 -10.148 4.195 -20.571 1.00 71.12 H new ATOM 0 HB3 SER A 67 -11.650 3.358 -20.233 1.00 71.12 H new ATOM 0 HG SER A 67 -9.668 2.793 -22.143 1.00 33.34 H new ATOM 1061 N LEU A 68 -12.035 7.011 -21.003 1.00 63.33 N ATOM 1062 CA LEU A 68 -12.613 8.061 -20.173 1.00 0.43 C ATOM 1063 C LEU A 68 -14.118 8.167 -20.398 1.00 1.12 C ATOM 1064 O LEU A 68 -14.857 8.601 -19.515 1.00 55.21 O ATOM 1065 CB LEU A 68 -11.945 9.404 -20.476 1.00 30.23 C ATOM 1066 CG LEU A 68 -10.612 9.664 -19.773 1.00 12.01 C ATOM 1067 CD1 LEU A 68 -9.917 10.874 -20.378 1.00 13.15 C ATOM 1068 CD2 LEU A 68 -10.826 9.861 -18.279 1.00 73.32 C ATOM 0 H LEU A 68 -11.284 7.325 -21.618 1.00 63.33 H new ATOM 0 HA LEU A 68 -12.438 7.802 -19.129 1.00 0.43 H new ATOM 0 HB2 LEU A 68 -11.785 9.473 -21.552 1.00 30.23 H new ATOM 0 HB3 LEU A 68 -12.637 10.201 -20.205 1.00 30.23 H new ATOM 0 HG LEU A 68 -9.972 8.794 -19.916 1.00 12.01 H new ATOM 0 HD11 LEU A 68 -8.970 11.044 -19.865 1.00 13.15 H new ATOM 0 HD12 LEU A 68 -9.729 10.694 -21.437 1.00 13.15 H new ATOM 0 HD13 LEU A 68 -10.553 11.752 -20.266 1.00 13.15 H new ATOM 0 HD21 LEU A 68 -9.867 10.045 -17.795 1.00 73.32 H new ATOM 0 HD22 LEU A 68 -11.484 10.714 -18.115 1.00 73.32 H new ATOM 0 HD23 LEU A 68 -11.280 8.965 -17.855 1.00 73.32 H new ATOM 1080 N GLN A 69 -14.563 7.765 -21.584 1.00 13.32 N ATOM 1081 CA GLN A 69 -15.981 7.814 -21.923 1.00 65.35 C ATOM 1082 C GLN A 69 -16.795 6.926 -20.988 1.00 70.25 C ATOM 1083 O GLN A 69 -17.832 7.339 -20.468 1.00 2.30 O ATOM 1084 CB GLN A 69 -16.194 7.378 -23.374 1.00 51.22 C ATOM 1085 CG GLN A 69 -17.543 7.791 -23.941 1.00 42.11 C ATOM 1086 CD GLN A 69 -17.649 7.543 -25.433 1.00 13.51 C ATOM 1087 OE1 GLN A 69 -17.986 6.442 -25.869 1.00 1.14 O ATOM 1088 NE2 GLN A 69 -17.362 8.570 -26.226 1.00 35.55 N ATOM 0 H GLN A 69 -13.964 7.402 -22.325 1.00 13.32 H new ATOM 0 HA GLN A 69 -16.322 8.842 -21.806 1.00 65.35 H new ATOM 0 HB2 GLN A 69 -15.404 7.803 -23.992 1.00 51.22 H new ATOM 0 HB3 GLN A 69 -16.099 6.294 -23.437 1.00 51.22 H new ATOM 0 HG2 GLN A 69 -18.332 7.241 -23.428 1.00 42.11 H new ATOM 0 HG3 GLN A 69 -17.709 8.849 -23.740 1.00 42.11 H new ATOM 0 HE21 GLN A 69 -17.087 9.465 -25.822 1.00 35.55 H new ATOM 0 HE22 GLN A 69 -17.417 8.463 -27.239 1.00 35.55 H new ATOM 1097 N THR A 70 -16.320 5.702 -20.779 1.00 43.00 N ATOM 1098 CA THR A 70 -17.004 4.755 -19.908 1.00 72.12 C ATOM 1099 C THR A 70 -16.074 4.242 -18.814 1.00 53.54 C ATOM 1100 O THR A 70 -16.053 3.050 -18.512 1.00 15.21 O ATOM 1101 CB THR A 70 -17.552 3.555 -20.704 1.00 15.23 C ATOM 1102 OG1 THR A 70 -17.751 3.925 -22.073 1.00 21.22 O ATOM 1103 CG2 THR A 70 -18.865 3.066 -20.110 1.00 1.32 C ATOM 0 H THR A 70 -15.464 5.343 -21.202 1.00 43.00 H new ATOM 0 HA THR A 70 -17.836 5.290 -19.451 1.00 72.12 H new ATOM 0 HB THR A 70 -16.823 2.747 -20.649 1.00 15.23 H new ATOM 0 HG1 THR A 70 -18.098 3.156 -22.572 1.00 21.22 H new ATOM 0 HG21 THR A 70 -19.233 2.219 -20.688 1.00 1.32 H new ATOM 0 HG22 THR A 70 -18.705 2.758 -19.077 1.00 1.32 H new ATOM 0 HG23 THR A 70 -19.599 3.871 -20.139 1.00 1.32 H new ATOM 1111 N GLY A 71 -15.306 5.152 -18.223 1.00 45.21 N ATOM 1112 CA GLY A 71 -14.384 4.772 -17.168 1.00 50.24 C ATOM 1113 C GLY A 71 -14.912 5.108 -15.788 1.00 14.40 C ATOM 1114 O GLY A 71 -15.129 6.277 -15.466 1.00 72.44 O ATOM 0 H GLY A 71 -15.306 6.145 -18.456 1.00 45.21 H new ATOM 0 HA2 GLY A 71 -14.189 3.701 -17.228 1.00 50.24 H new ATOM 0 HA3 GLY A 71 -13.431 5.279 -17.322 1.00 50.24 H new ATOM 1118 N SER A 72 -15.122 4.082 -14.970 1.00 22.11 N ATOM 1119 CA SER A 72 -15.634 4.274 -13.618 1.00 64.21 C ATOM 1120 C SER A 72 -14.752 5.242 -12.836 1.00 4.23 C ATOM 1121 O SER A 72 -13.726 5.704 -13.334 1.00 3.01 O ATOM 1122 CB SER A 72 -15.714 2.933 -12.885 1.00 45.22 C ATOM 1123 OG SER A 72 -14.427 2.361 -12.726 1.00 3.50 O ATOM 0 H SER A 72 -14.946 3.109 -15.220 1.00 22.11 H new ATOM 0 HA SER A 72 -16.635 4.700 -13.692 1.00 64.21 H new ATOM 0 HB2 SER A 72 -16.175 3.076 -11.908 1.00 45.22 H new ATOM 0 HB3 SER A 72 -16.354 2.248 -13.442 1.00 45.22 H new ATOM 0 HG SER A 72 -14.505 1.506 -12.253 1.00 3.50 H new ATOM 1129 N GLU A 73 -15.160 5.544 -11.607 1.00 53.43 N ATOM 1130 CA GLU A 73 -14.408 6.459 -10.756 1.00 21.50 C ATOM 1131 C GLU A 73 -12.942 6.044 -10.674 1.00 63.34 C ATOM 1132 O GLU A 73 -12.044 6.882 -10.752 1.00 72.12 O ATOM 1133 CB GLU A 73 -15.016 6.501 -9.353 1.00 32.04 C ATOM 1134 CG GLU A 73 -16.356 7.215 -9.291 1.00 60.12 C ATOM 1135 CD GLU A 73 -16.210 8.721 -9.194 1.00 55.22 C ATOM 1136 OE1 GLU A 73 -16.109 9.235 -8.060 1.00 71.13 O ATOM 1137 OE2 GLU A 73 -16.198 9.386 -10.251 1.00 72.00 O ATOM 0 H GLU A 73 -16.006 5.169 -11.179 1.00 53.43 H new ATOM 0 HA GLU A 73 -14.462 7.454 -11.198 1.00 21.50 H new ATOM 0 HB2 GLU A 73 -15.140 5.481 -8.989 1.00 32.04 H new ATOM 0 HB3 GLU A 73 -14.318 6.997 -8.678 1.00 32.04 H new ATOM 0 HG2 GLU A 73 -16.937 6.966 -10.179 1.00 60.12 H new ATOM 0 HG3 GLU A 73 -16.918 6.852 -8.430 1.00 60.12 H new ATOM 1144 N GLU A 74 -12.708 4.744 -10.517 1.00 12.54 N ATOM 1145 CA GLU A 74 -11.351 4.219 -10.423 1.00 33.20 C ATOM 1146 C GLU A 74 -10.508 4.675 -11.610 1.00 2.20 C ATOM 1147 O GLU A 74 -9.334 5.016 -11.458 1.00 11.34 O ATOM 1148 CB GLU A 74 -11.376 2.690 -10.359 1.00 10.34 C ATOM 1149 CG GLU A 74 -10.834 2.127 -9.056 1.00 1.03 C ATOM 1150 CD GLU A 74 -10.692 0.618 -9.087 1.00 21.30 C ATOM 1151 OE1 GLU A 74 -10.894 0.024 -10.167 1.00 10.31 O ATOM 1152 OE2 GLU A 74 -10.378 0.030 -8.031 1.00 31.05 O ATOM 0 H GLU A 74 -13.440 4.036 -10.452 1.00 12.54 H new ATOM 0 HA GLU A 74 -10.901 4.607 -9.509 1.00 33.20 H new ATOM 0 HB2 GLU A 74 -12.401 2.346 -10.495 1.00 10.34 H new ATOM 0 HB3 GLU A 74 -10.793 2.290 -11.188 1.00 10.34 H new ATOM 0 HG2 GLU A 74 -9.863 2.575 -8.847 1.00 1.03 H new ATOM 0 HG3 GLU A 74 -11.498 2.409 -8.239 1.00 1.03 H new ATOM 1159 N LEU A 75 -11.114 4.678 -12.792 1.00 42.41 N ATOM 1160 CA LEU A 75 -10.420 5.092 -14.007 1.00 4.14 C ATOM 1161 C LEU A 75 -10.125 6.589 -13.983 1.00 32.44 C ATOM 1162 O LEU A 75 -9.051 7.026 -14.394 1.00 5.53 O ATOM 1163 CB LEU A 75 -11.256 4.745 -15.239 1.00 54.23 C ATOM 1164 CG LEU A 75 -10.483 4.561 -16.545 1.00 61.33 C ATOM 1165 CD1 LEU A 75 -11.079 3.425 -17.363 1.00 10.40 C ATOM 1166 CD2 LEU A 75 -10.477 5.853 -17.349 1.00 0.13 C ATOM 0 H LEU A 75 -12.084 4.398 -12.935 1.00 42.41 H new ATOM 0 HA LEU A 75 -9.473 4.555 -14.056 1.00 4.14 H new ATOM 0 HB2 LEU A 75 -11.806 3.827 -15.033 1.00 54.23 H new ATOM 0 HB3 LEU A 75 -11.995 5.533 -15.385 1.00 54.23 H new ATOM 0 HG LEU A 75 -9.452 4.304 -16.301 1.00 61.33 H new ATOM 0 HD11 LEU A 75 -10.516 3.309 -18.289 1.00 10.40 H new ATOM 0 HD12 LEU A 75 -11.030 2.499 -16.790 1.00 10.40 H new ATOM 0 HD13 LEU A 75 -12.119 3.652 -17.597 1.00 10.40 H new ATOM 0 HD21 LEU A 75 -9.922 5.703 -18.275 1.00 0.13 H new ATOM 0 HD22 LEU A 75 -11.502 6.141 -17.583 1.00 0.13 H new ATOM 0 HD23 LEU A 75 -10.002 6.642 -16.766 1.00 0.13 H new ATOM 1178 N ARG A 76 -11.086 7.368 -13.497 1.00 21.35 N ATOM 1179 CA ARG A 76 -10.929 8.815 -13.418 1.00 11.03 C ATOM 1180 C ARG A 76 -9.763 9.187 -12.506 1.00 70.25 C ATOM 1181 O ARG A 76 -8.812 9.842 -12.934 1.00 74.50 O ATOM 1182 CB ARG A 76 -12.217 9.462 -12.905 1.00 72.30 C ATOM 1183 CG ARG A 76 -12.694 10.627 -13.756 1.00 0.41 C ATOM 1184 CD ARG A 76 -12.094 11.943 -13.285 1.00 13.04 C ATOM 1185 NE ARG A 76 -12.371 13.035 -14.214 1.00 34.10 N ATOM 1186 CZ ARG A 76 -13.529 13.686 -14.259 1.00 64.44 C ATOM 1187 NH1 ARG A 76 -14.511 13.356 -13.432 1.00 41.31 N ATOM 1188 NH2 ARG A 76 -13.705 14.668 -15.133 1.00 43.43 N ATOM 0 H ARG A 76 -11.981 7.021 -13.152 1.00 21.35 H new ATOM 0 HA ARG A 76 -10.717 9.187 -14.420 1.00 11.03 H new ATOM 0 HB2 ARG A 76 -13.002 8.707 -12.865 1.00 72.30 H new ATOM 0 HB3 ARG A 76 -12.057 9.810 -11.884 1.00 72.30 H new ATOM 0 HG2 ARG A 76 -12.422 10.454 -14.797 1.00 0.41 H new ATOM 0 HG3 ARG A 76 -13.782 10.687 -13.716 1.00 0.41 H new ATOM 0 HD2 ARG A 76 -12.494 12.193 -12.302 1.00 13.04 H new ATOM 0 HD3 ARG A 76 -11.016 11.829 -13.170 1.00 13.04 H new ATOM 0 HE ARG A 76 -11.636 13.313 -14.864 1.00 34.10 H new ATOM 0 HH11 ARG A 76 -14.379 12.601 -12.759 1.00 41.31 H new ATOM 0 HH12 ARG A 76 -15.399 13.857 -13.469 1.00 41.31 H new ATOM 0 HH21 ARG A 76 -12.952 14.924 -15.771 1.00 43.43 H new ATOM 0 HH22 ARG A 76 -14.594 15.167 -15.167 1.00 43.43 H new ATOM 1202 N SER A 77 -9.844 8.765 -11.249 1.00 22.24 N ATOM 1203 CA SER A 77 -8.798 9.057 -10.276 1.00 24.13 C ATOM 1204 C SER A 77 -7.427 8.664 -10.818 1.00 23.34 C ATOM 1205 O SER A 77 -6.441 9.377 -10.623 1.00 73.31 O ATOM 1206 CB SER A 77 -9.071 8.319 -8.964 1.00 71.40 C ATOM 1207 OG SER A 77 -9.871 9.102 -8.095 1.00 62.20 O ATOM 0 H SER A 77 -10.623 8.220 -10.880 1.00 22.24 H new ATOM 0 HA SER A 77 -8.801 10.131 -10.088 1.00 24.13 H new ATOM 0 HB2 SER A 77 -9.573 7.374 -9.172 1.00 71.40 H new ATOM 0 HB3 SER A 77 -8.127 8.078 -8.476 1.00 71.40 H new ATOM 0 HG SER A 77 -10.033 8.607 -7.265 1.00 62.20 H new ATOM 1213 N LEU A 78 -7.371 7.524 -11.498 1.00 54.33 N ATOM 1214 CA LEU A 78 -6.122 7.034 -12.069 1.00 43.25 C ATOM 1215 C LEU A 78 -5.591 7.997 -13.127 1.00 14.44 C ATOM 1216 O LEU A 78 -4.459 8.471 -13.037 1.00 5.21 O ATOM 1217 CB LEU A 78 -6.328 5.648 -12.683 1.00 44.33 C ATOM 1218 CG LEU A 78 -5.777 4.470 -11.880 1.00 31.34 C ATOM 1219 CD1 LEU A 78 -4.301 4.674 -11.574 1.00 54.45 C ATOM 1220 CD2 LEU A 78 -6.569 4.285 -10.593 1.00 40.22 C ATOM 0 H LEU A 78 -8.177 6.922 -11.667 1.00 54.33 H new ATOM 0 HA LEU A 78 -5.388 6.964 -11.266 1.00 43.25 H new ATOM 0 HB2 LEU A 78 -7.397 5.493 -12.830 1.00 44.33 H new ATOM 0 HB3 LEU A 78 -5.865 5.637 -13.670 1.00 44.33 H new ATOM 0 HG LEU A 78 -5.880 3.567 -12.481 1.00 31.34 H new ATOM 0 HD11 LEU A 78 -3.927 3.825 -11.002 1.00 54.45 H new ATOM 0 HD12 LEU A 78 -3.744 4.756 -12.507 1.00 54.45 H new ATOM 0 HD13 LEU A 78 -4.173 5.587 -10.993 1.00 54.45 H new ATOM 0 HD21 LEU A 78 -6.163 3.442 -10.034 1.00 40.22 H new ATOM 0 HD22 LEU A 78 -6.498 5.189 -9.989 1.00 40.22 H new ATOM 0 HD23 LEU A 78 -7.614 4.091 -10.834 1.00 40.22 H new ATOM 1232 N TYR A 79 -6.418 8.284 -14.126 1.00 12.42 N ATOM 1233 CA TYR A 79 -6.033 9.191 -15.200 1.00 43.34 C ATOM 1234 C TYR A 79 -5.548 10.525 -14.640 1.00 53.12 C ATOM 1235 O TYR A 79 -4.444 10.974 -14.943 1.00 63.23 O ATOM 1236 CB TYR A 79 -7.210 9.421 -16.149 1.00 53.41 C ATOM 1237 CG TYR A 79 -6.825 10.115 -17.436 1.00 65.21 C ATOM 1238 CD1 TYR A 79 -6.048 9.469 -18.390 1.00 73.45 C ATOM 1239 CD2 TYR A 79 -7.235 11.416 -17.698 1.00 11.15 C ATOM 1240 CE1 TYR A 79 -5.693 10.098 -19.568 1.00 3.34 C ATOM 1241 CE2 TYR A 79 -6.886 12.053 -18.872 1.00 64.04 C ATOM 1242 CZ TYR A 79 -6.114 11.390 -19.804 1.00 52.12 C ATOM 1243 OH TYR A 79 -5.763 12.022 -20.975 1.00 64.31 O ATOM 0 H TYR A 79 -7.359 7.901 -14.214 1.00 12.42 H new ATOM 0 HA TYR A 79 -5.214 8.731 -15.753 1.00 43.34 H new ATOM 0 HB2 TYR A 79 -7.667 8.460 -16.387 1.00 53.41 H new ATOM 0 HB3 TYR A 79 -7.967 10.016 -15.638 1.00 53.41 H new ATOM 0 HD1 TYR A 79 -5.716 8.458 -18.208 1.00 73.45 H new ATOM 0 HD2 TYR A 79 -7.838 11.939 -16.970 1.00 11.15 H new ATOM 0 HE1 TYR A 79 -5.090 9.581 -20.299 1.00 3.34 H new ATOM 0 HE2 TYR A 79 -7.215 13.064 -19.060 1.00 64.04 H new ATOM 0 HH TYR A 79 -6.141 12.926 -20.985 1.00 64.31 H new ATOM 1253 N ASN A 80 -6.384 11.153 -13.820 1.00 12.41 N ATOM 1254 CA ASN A 80 -6.043 12.436 -13.216 1.00 5.20 C ATOM 1255 C ASN A 80 -4.697 12.360 -12.501 1.00 62.23 C ATOM 1256 O ASN A 80 -3.785 13.137 -12.785 1.00 63.04 O ATOM 1257 CB ASN A 80 -7.132 12.866 -12.231 1.00 41.24 C ATOM 1258 CG ASN A 80 -8.210 13.703 -12.892 1.00 14.13 C ATOM 1259 OD1 ASN A 80 -8.364 13.687 -14.113 1.00 62.41 O ATOM 1260 ND2 ASN A 80 -8.964 14.441 -12.084 1.00 61.34 N ATOM 0 H ASN A 80 -7.302 10.795 -13.558 1.00 12.41 H new ATOM 0 HA ASN A 80 -5.971 13.176 -14.013 1.00 5.20 H new ATOM 0 HB2 ASN A 80 -7.585 11.981 -11.785 1.00 41.24 H new ATOM 0 HB3 ASN A 80 -6.680 13.436 -11.419 1.00 41.24 H new ATOM 0 HD21 ASN A 80 -9.706 15.025 -12.471 1.00 61.34 H new ATOM 0 HD22 ASN A 80 -8.801 14.424 -11.077 1.00 61.34 H new ATOM 1267 N THR A 81 -4.579 11.417 -11.572 1.00 32.34 N ATOM 1268 CA THR A 81 -3.346 11.238 -10.816 1.00 11.34 C ATOM 1269 C THR A 81 -2.164 10.981 -11.744 1.00 35.13 C ATOM 1270 O THR A 81 -1.209 11.757 -11.776 1.00 63.45 O ATOM 1271 CB THR A 81 -3.463 10.072 -9.817 1.00 33.43 C ATOM 1272 OG1 THR A 81 -4.594 10.271 -8.960 1.00 45.44 O ATOM 1273 CG2 THR A 81 -2.200 9.949 -8.978 1.00 34.44 C ATOM 0 H THR A 81 -5.323 10.765 -11.325 1.00 32.34 H new ATOM 0 HA THR A 81 -3.177 12.163 -10.265 1.00 11.34 H new ATOM 0 HB THR A 81 -3.595 9.150 -10.383 1.00 33.43 H new ATOM 0 HG1 THR A 81 -5.386 9.857 -9.362 1.00 45.44 H new ATOM 0 HG21 THR A 81 -2.306 9.119 -8.280 1.00 34.44 H new ATOM 0 HG22 THR A 81 -1.346 9.767 -9.631 1.00 34.44 H new ATOM 0 HG23 THR A 81 -2.041 10.873 -8.422 1.00 34.44 H new ATOM 1281 N ILE A 82 -2.237 9.889 -12.497 1.00 24.54 N ATOM 1282 CA ILE A 82 -1.173 9.531 -13.427 1.00 22.12 C ATOM 1283 C ILE A 82 -0.775 10.722 -14.291 1.00 42.42 C ATOM 1284 O ILE A 82 0.405 10.932 -14.572 1.00 72.22 O ATOM 1285 CB ILE A 82 -1.593 8.365 -14.341 1.00 50.13 C ATOM 1286 CG1 ILE A 82 -1.936 7.130 -13.505 1.00 44.33 C ATOM 1287 CG2 ILE A 82 -0.487 8.048 -15.337 1.00 30.44 C ATOM 1288 CD1 ILE A 82 -2.820 6.138 -14.227 1.00 41.04 C ATOM 0 H ILE A 82 -3.021 9.237 -12.482 1.00 24.54 H new ATOM 0 HA ILE A 82 -0.319 9.220 -12.825 1.00 22.12 H new ATOM 0 HB ILE A 82 -2.482 8.661 -14.898 1.00 50.13 H new ATOM 0 HG12 ILE A 82 -1.012 6.633 -13.210 1.00 44.33 H new ATOM 0 HG13 ILE A 82 -2.434 7.448 -12.589 1.00 44.33 H new ATOM 0 HG21 ILE A 82 -0.799 7.222 -15.976 1.00 30.44 H new ATOM 0 HG22 ILE A 82 -0.288 8.926 -15.951 1.00 30.44 H new ATOM 0 HG23 ILE A 82 0.419 7.769 -14.798 1.00 30.44 H new ATOM 0 HD11 ILE A 82 -3.022 5.289 -13.575 1.00 41.04 H new ATOM 0 HD12 ILE A 82 -3.760 6.619 -14.499 1.00 41.04 H new ATOM 0 HD13 ILE A 82 -2.316 5.791 -15.129 1.00 41.04 H new ATOM 1300 N ALA A 83 -1.767 11.501 -14.708 1.00 54.55 N ATOM 1301 CA ALA A 83 -1.521 12.675 -15.538 1.00 22.34 C ATOM 1302 C ALA A 83 -0.553 13.636 -14.855 1.00 73.31 C ATOM 1303 O ALA A 83 0.393 14.123 -15.473 1.00 40.24 O ATOM 1304 CB ALA A 83 -2.831 13.380 -15.857 1.00 64.23 C ATOM 0 H ALA A 83 -2.749 11.341 -14.485 1.00 54.55 H new ATOM 0 HA ALA A 83 -1.065 12.342 -16.470 1.00 22.34 H new ATOM 0 HB1 ALA A 83 -2.632 14.254 -16.477 1.00 64.23 H new ATOM 0 HB2 ALA A 83 -3.490 12.697 -16.393 1.00 64.23 H new ATOM 0 HB3 ALA A 83 -3.310 13.694 -14.930 1.00 64.23 H new ATOM 1310 N VAL A 84 -0.797 13.905 -13.576 1.00 73.04 N ATOM 1311 CA VAL A 84 0.053 14.808 -12.810 1.00 32.14 C ATOM 1312 C VAL A 84 1.460 14.242 -12.658 1.00 21.51 C ATOM 1313 O VAL A 84 2.445 14.982 -12.678 1.00 34.45 O ATOM 1314 CB VAL A 84 -0.533 15.078 -11.411 1.00 54.42 C ATOM 1315 CG1 VAL A 84 0.365 16.025 -10.630 1.00 14.24 C ATOM 1316 CG2 VAL A 84 -1.943 15.639 -11.524 1.00 70.11 C ATOM 0 H VAL A 84 -1.576 13.510 -13.049 1.00 73.04 H new ATOM 0 HA VAL A 84 0.099 15.745 -13.364 1.00 32.14 H new ATOM 0 HB VAL A 84 -0.584 14.134 -10.869 1.00 54.42 H new ATOM 0 HG11 VAL A 84 -0.065 16.204 -9.644 1.00 14.24 H new ATOM 0 HG12 VAL A 84 1.354 15.580 -10.519 1.00 14.24 H new ATOM 0 HG13 VAL A 84 0.450 16.970 -11.166 1.00 14.24 H new ATOM 0 HG21 VAL A 84 -2.342 15.824 -10.527 1.00 70.11 H new ATOM 0 HG22 VAL A 84 -1.919 16.574 -12.084 1.00 70.11 H new ATOM 0 HG23 VAL A 84 -2.580 14.922 -12.042 1.00 70.11 H new ATOM 1326 N LEU A 85 1.549 12.925 -12.507 1.00 74.31 N ATOM 1327 CA LEU A 85 2.837 12.257 -12.352 1.00 55.25 C ATOM 1328 C LEU A 85 3.636 12.308 -13.651 1.00 13.53 C ATOM 1329 O LEU A 85 4.808 12.686 -13.655 1.00 72.55 O ATOM 1330 CB LEU A 85 2.631 10.803 -11.924 1.00 4.24 C ATOM 1331 CG LEU A 85 3.820 10.133 -11.233 1.00 13.23 C ATOM 1332 CD1 LEU A 85 3.395 9.538 -9.899 1.00 64.22 C ATOM 1333 CD2 LEU A 85 4.423 9.062 -12.129 1.00 43.13 C ATOM 0 H LEU A 85 0.744 12.298 -12.489 1.00 74.31 H new ATOM 0 HA LEU A 85 3.400 12.781 -11.579 1.00 55.25 H new ATOM 0 HB2 LEU A 85 1.774 10.761 -11.251 1.00 4.24 H new ATOM 0 HB3 LEU A 85 2.372 10.218 -12.807 1.00 4.24 H new ATOM 0 HG LEU A 85 4.581 10.890 -11.044 1.00 13.23 H new ATOM 0 HD11 LEU A 85 4.253 9.065 -9.421 1.00 64.22 H new ATOM 0 HD12 LEU A 85 3.010 10.328 -9.254 1.00 64.22 H new ATOM 0 HD13 LEU A 85 2.616 8.793 -10.064 1.00 64.22 H new ATOM 0 HD21 LEU A 85 5.268 8.596 -11.621 1.00 43.13 H new ATOM 0 HD22 LEU A 85 3.670 8.306 -12.349 1.00 43.13 H new ATOM 0 HD23 LEU A 85 4.764 9.516 -13.059 1.00 43.13 H new ATOM 1345 N TYR A 86 2.994 11.929 -14.750 1.00 34.02 N ATOM 1346 CA TYR A 86 3.645 11.931 -16.055 1.00 15.45 C ATOM 1347 C TYR A 86 4.324 13.271 -16.322 1.00 22.13 C ATOM 1348 O TYR A 86 5.457 13.320 -16.802 1.00 62.22 O ATOM 1349 CB TYR A 86 2.626 11.635 -17.156 1.00 70.15 C ATOM 1350 CG TYR A 86 3.132 11.942 -18.548 1.00 24.13 C ATOM 1351 CD1 TYR A 86 4.076 11.127 -19.160 1.00 42.25 C ATOM 1352 CD2 TYR A 86 2.666 13.047 -19.250 1.00 31.42 C ATOM 1353 CE1 TYR A 86 4.542 11.405 -20.431 1.00 61.50 C ATOM 1354 CE2 TYR A 86 3.125 13.331 -20.521 1.00 61.14 C ATOM 1355 CZ TYR A 86 4.063 12.507 -21.107 1.00 45.24 C ATOM 1356 OH TYR A 86 4.524 12.786 -22.374 1.00 1.02 O ATOM 0 H TYR A 86 2.023 11.616 -14.764 1.00 34.02 H new ATOM 0 HA TYR A 86 4.407 11.151 -16.055 1.00 15.45 H new ATOM 0 HB2 TYR A 86 2.344 10.583 -17.105 1.00 70.15 H new ATOM 0 HB3 TYR A 86 1.723 12.217 -16.970 1.00 70.15 H new ATOM 0 HD1 TYR A 86 4.452 10.262 -18.634 1.00 42.25 H new ATOM 0 HD2 TYR A 86 1.932 13.695 -18.794 1.00 31.42 H new ATOM 0 HE1 TYR A 86 5.277 10.762 -20.892 1.00 61.50 H new ATOM 0 HE2 TYR A 86 2.752 14.193 -21.053 1.00 61.14 H new ATOM 0 HH TYR A 86 4.086 13.595 -22.711 1.00 1.02 H new ATOM 1366 N CYS A 87 3.624 14.355 -16.006 1.00 64.05 N ATOM 1367 CA CYS A 87 4.159 15.697 -16.212 1.00 32.40 C ATOM 1368 C CYS A 87 5.493 15.866 -15.494 1.00 5.15 C ATOM 1369 O CYS A 87 6.435 16.442 -16.038 1.00 43.05 O ATOM 1370 CB CYS A 87 3.163 16.746 -15.717 1.00 54.24 C ATOM 1371 SG CYS A 87 2.114 17.439 -17.017 1.00 72.12 S ATOM 0 H CYS A 87 2.686 14.331 -15.607 1.00 64.05 H new ATOM 0 HA CYS A 87 4.322 15.837 -17.281 1.00 32.40 H new ATOM 0 HB2 CYS A 87 2.528 16.297 -14.953 1.00 54.24 H new ATOM 0 HB3 CYS A 87 3.713 17.556 -15.238 1.00 54.24 H new ATOM 0 HG CYS A 87 0.965 17.779 -16.512 1.00 72.12 H new ATOM 1377 N VAL A 88 5.567 15.362 -14.266 1.00 10.03 N ATOM 1378 CA VAL A 88 6.786 15.458 -13.472 1.00 31.04 C ATOM 1379 C VAL A 88 7.944 14.736 -14.152 1.00 55.43 C ATOM 1380 O VAL A 88 9.044 15.276 -14.267 1.00 43.35 O ATOM 1381 CB VAL A 88 6.586 14.869 -12.063 1.00 33.04 C ATOM 1382 CG1 VAL A 88 7.802 15.142 -11.192 1.00 4.14 C ATOM 1383 CG2 VAL A 88 5.325 15.433 -11.424 1.00 63.31 C ATOM 0 H VAL A 88 4.797 14.883 -13.800 1.00 10.03 H new ATOM 0 HA VAL A 88 7.023 16.518 -13.385 1.00 31.04 H new ATOM 0 HB VAL A 88 6.469 13.789 -12.153 1.00 33.04 H new ATOM 0 HG11 VAL A 88 7.642 14.718 -10.201 1.00 4.14 H new ATOM 0 HG12 VAL A 88 8.683 14.686 -11.644 1.00 4.14 H new ATOM 0 HG13 VAL A 88 7.954 16.218 -11.107 1.00 4.14 H new ATOM 0 HG21 VAL A 88 5.199 15.006 -10.429 1.00 63.31 H new ATOM 0 HG22 VAL A 88 5.410 16.517 -11.346 1.00 63.31 H new ATOM 0 HG23 VAL A 88 4.461 15.180 -12.039 1.00 63.31 H new ATOM 1393 N HIS A 89 7.688 13.512 -14.603 1.00 13.21 N ATOM 1394 CA HIS A 89 8.709 12.715 -15.275 1.00 35.15 C ATOM 1395 C HIS A 89 9.269 13.459 -16.483 1.00 64.12 C ATOM 1396 O HIS A 89 10.457 13.282 -16.754 1.00 12.03 O ATOM 1397 CB HIS A 89 8.129 11.370 -15.714 1.00 32.23 C ATOM 1398 CG HIS A 89 8.078 10.353 -14.615 1.00 63.52 C ATOM 1399 ND1 HIS A 89 9.017 10.286 -13.607 1.00 71.45 N ATOM 1400 CD2 HIS A 89 7.193 9.358 -14.369 1.00 45.23 C ATOM 1401 CE1 HIS A 89 8.712 9.294 -12.790 1.00 72.41 C ATOM 1402 NE2 HIS A 89 7.609 8.715 -13.230 1.00 53.30 N ATOM 0 H HIS A 89 6.783 13.050 -14.515 1.00 13.21 H new ATOM 0 HA HIS A 89 9.521 12.539 -14.569 1.00 35.15 H new ATOM 0 HB2 HIS A 89 7.122 11.526 -16.100 1.00 32.23 H new ATOM 0 HB3 HIS A 89 8.728 10.976 -16.535 1.00 32.23 H new ATOM 0 HD2 HIS A 89 6.322 9.115 -14.959 1.00 45.23 H new ATOM 0 HE1 HIS A 89 9.270 9.005 -11.911 1.00 72.41 H new ATOM 0 HE2 HIS A 89 7.142 7.920 -12.794 1.00 53.30 H new ATOM 1411 N GLN A 90 8.476 14.257 -17.191 1.00 20.15 N ATOM 1412 CA GLN A 90 8.968 14.987 -18.353 1.00 72.21 C ATOM 1413 C GLN A 90 9.496 16.360 -17.950 1.00 61.34 C ATOM 1414 O GLN A 90 9.627 17.255 -18.786 1.00 30.44 O ATOM 1415 CB GLN A 90 7.857 15.140 -19.393 1.00 75.21 C ATOM 1416 CG GLN A 90 8.359 15.119 -20.828 1.00 32.33 C ATOM 1417 CD GLN A 90 8.833 13.745 -21.260 1.00 13.11 C ATOM 1418 OE1 GLN A 90 10.018 13.539 -21.525 1.00 14.44 O ATOM 1419 NE2 GLN A 90 7.908 12.795 -21.334 1.00 14.44 N ATOM 0 H GLN A 90 7.490 14.414 -16.980 1.00 20.15 H new ATOM 0 HA GLN A 90 9.788 14.416 -18.789 1.00 72.21 H new ATOM 0 HB2 GLN A 90 7.132 14.337 -19.259 1.00 75.21 H new ATOM 0 HB3 GLN A 90 7.331 16.078 -19.215 1.00 75.21 H new ATOM 0 HG2 GLN A 90 7.561 15.450 -21.493 1.00 32.33 H new ATOM 0 HG3 GLN A 90 9.177 15.831 -20.933 1.00 32.33 H new ATOM 0 HE21 GLN A 90 6.937 13.009 -21.105 1.00 14.44 H new ATOM 0 HE22 GLN A 90 8.168 11.851 -21.619 1.00 14.44 H new ATOM 1428 N ARG A 91 9.798 16.519 -16.666 1.00 33.31 N ATOM 1429 CA ARG A 91 10.310 17.783 -16.152 1.00 43.24 C ATOM 1430 C ARG A 91 9.325 18.918 -16.419 1.00 64.33 C ATOM 1431 O ARG A 91 9.722 20.022 -16.791 1.00 42.53 O ATOM 1432 CB ARG A 91 11.662 18.107 -16.791 1.00 25.35 C ATOM 1433 CG ARG A 91 12.665 18.710 -15.820 1.00 62.44 C ATOM 1434 CD ARG A 91 13.857 19.307 -16.551 1.00 44.21 C ATOM 1435 NE ARG A 91 15.108 19.086 -15.830 1.00 42.14 N ATOM 1436 CZ ARG A 91 16.234 19.739 -16.095 1.00 43.02 C ATOM 1437 NH1 ARG A 91 16.266 20.649 -17.059 1.00 12.44 N ATOM 1438 NH2 ARG A 91 17.332 19.482 -15.395 1.00 51.12 N ATOM 0 H ARG A 91 9.697 15.788 -15.962 1.00 33.31 H new ATOM 0 HA ARG A 91 10.439 17.683 -15.074 1.00 43.24 H new ATOM 0 HB2 ARG A 91 12.082 17.195 -17.215 1.00 25.35 H new ATOM 0 HB3 ARG A 91 11.507 18.800 -17.618 1.00 25.35 H new ATOM 0 HG2 ARG A 91 12.178 19.482 -15.225 1.00 62.44 H new ATOM 0 HG3 ARG A 91 13.009 17.942 -15.127 1.00 62.44 H new ATOM 0 HD2 ARG A 91 13.929 18.867 -17.546 1.00 44.21 H new ATOM 0 HD3 ARG A 91 13.701 20.377 -16.686 1.00 44.21 H new ATOM 0 HE ARG A 91 15.117 18.392 -15.082 1.00 42.14 H new ATOM 0 HH11 ARG A 91 15.424 20.849 -17.599 1.00 12.44 H new ATOM 0 HH12 ARG A 91 17.132 21.149 -17.260 1.00 12.44 H new ATOM 0 HH21 ARG A 91 17.312 18.783 -14.653 1.00 51.12 H new ATOM 0 HH22 ARG A 91 18.196 19.984 -15.599 1.00 51.12 H new ATOM 1452 N ILE A 92 8.041 18.637 -16.227 1.00 60.44 N ATOM 1453 CA ILE A 92 7.000 19.633 -16.447 1.00 3.31 C ATOM 1454 C ILE A 92 6.331 20.027 -15.135 1.00 10.24 C ATOM 1455 O ILE A 92 5.844 19.173 -14.393 1.00 42.33 O ATOM 1456 CB ILE A 92 5.926 19.120 -17.424 1.00 63.01 C ATOM 1457 CG1 ILE A 92 6.574 18.659 -18.731 1.00 71.44 C ATOM 1458 CG2 ILE A 92 4.893 20.204 -17.692 1.00 72.32 C ATOM 1459 CD1 ILE A 92 5.605 17.995 -19.684 1.00 73.14 C ATOM 0 H ILE A 92 7.696 17.728 -15.919 1.00 60.44 H new ATOM 0 HA ILE A 92 7.486 20.506 -16.881 1.00 3.31 H new ATOM 0 HB ILE A 92 5.420 18.268 -16.971 1.00 63.01 H new ATOM 0 HG12 ILE A 92 7.026 19.518 -19.226 1.00 71.44 H new ATOM 0 HG13 ILE A 92 7.380 17.962 -18.501 1.00 71.44 H new ATOM 0 HG21 ILE A 92 4.141 19.826 -18.384 1.00 72.32 H new ATOM 0 HG22 ILE A 92 4.414 20.489 -16.756 1.00 72.32 H new ATOM 0 HG23 ILE A 92 5.383 21.074 -18.129 1.00 72.32 H new ATOM 0 HD11 ILE A 92 6.133 17.694 -20.589 1.00 73.14 H new ATOM 0 HD12 ILE A 92 5.171 17.116 -19.208 1.00 73.14 H new ATOM 0 HD13 ILE A 92 4.812 18.696 -19.943 1.00 73.14 H new ATOM 1471 N ASP A 93 6.309 21.326 -14.855 1.00 33.32 N ATOM 1472 CA ASP A 93 5.696 21.834 -13.633 1.00 41.20 C ATOM 1473 C ASP A 93 4.310 22.405 -13.917 1.00 4.40 C ATOM 1474 O ASP A 93 4.166 23.363 -14.677 1.00 71.35 O ATOM 1475 CB ASP A 93 6.584 22.907 -13.000 1.00 72.03 C ATOM 1476 CG ASP A 93 7.133 23.881 -14.024 1.00 0.44 C ATOM 1477 OD1 ASP A 93 8.127 23.537 -14.696 1.00 41.32 O ATOM 1478 OD2 ASP A 93 6.569 24.989 -14.151 1.00 62.34 O ATOM 0 H ASP A 93 6.708 22.046 -15.457 1.00 33.32 H new ATOM 0 HA ASP A 93 5.591 21.003 -12.936 1.00 41.20 H new ATOM 0 HB2 ASP A 93 6.010 23.455 -12.253 1.00 72.03 H new ATOM 0 HB3 ASP A 93 7.412 22.428 -12.478 1.00 72.03 H new ATOM 1483 N VAL A 94 3.293 21.811 -13.301 1.00 62.04 N ATOM 1484 CA VAL A 94 1.919 22.260 -13.488 1.00 12.33 C ATOM 1485 C VAL A 94 1.454 23.110 -12.310 1.00 71.32 C ATOM 1486 O VAL A 94 2.098 23.144 -11.262 1.00 25.22 O ATOM 1487 CB VAL A 94 0.957 21.069 -13.659 1.00 2.33 C ATOM 1488 CG1 VAL A 94 1.376 20.210 -14.842 1.00 50.41 C ATOM 1489 CG2 VAL A 94 0.901 20.243 -12.383 1.00 22.12 C ATOM 0 H VAL A 94 3.395 21.018 -12.668 1.00 62.04 H new ATOM 0 HA VAL A 94 1.904 22.863 -14.396 1.00 12.33 H new ATOM 0 HB VAL A 94 -0.042 21.456 -13.858 1.00 2.33 H new ATOM 0 HG11 VAL A 94 0.685 19.374 -14.947 1.00 50.41 H new ATOM 0 HG12 VAL A 94 1.360 20.811 -15.751 1.00 50.41 H new ATOM 0 HG13 VAL A 94 2.384 19.829 -14.676 1.00 50.41 H new ATOM 0 HG21 VAL A 94 0.217 19.406 -12.521 1.00 22.12 H new ATOM 0 HG22 VAL A 94 1.896 19.864 -12.151 1.00 22.12 H new ATOM 0 HG23 VAL A 94 0.550 20.867 -11.561 1.00 22.12 H new ATOM 1499 N LYS A 95 0.330 23.795 -12.490 1.00 12.05 N ATOM 1500 CA LYS A 95 -0.225 24.644 -11.442 1.00 4.31 C ATOM 1501 C LYS A 95 -1.233 23.875 -10.594 1.00 63.24 C ATOM 1502 O LYS A 95 -1.480 24.222 -9.439 1.00 62.23 O ATOM 1503 CB LYS A 95 -0.893 25.876 -12.056 1.00 55.11 C ATOM 1504 CG LYS A 95 0.080 26.818 -12.743 1.00 62.23 C ATOM 1505 CD LYS A 95 1.023 27.470 -11.746 1.00 63.22 C ATOM 1506 CE LYS A 95 2.458 27.007 -11.951 1.00 53.52 C ATOM 1507 NZ LYS A 95 3.439 28.071 -11.600 1.00 51.32 N ATOM 0 H LYS A 95 -0.215 23.779 -13.352 1.00 12.05 H new ATOM 0 HA LYS A 95 0.594 24.965 -10.798 1.00 4.31 H new ATOM 0 HB2 LYS A 95 -1.642 25.551 -12.778 1.00 55.11 H new ATOM 0 HB3 LYS A 95 -1.421 26.420 -11.273 1.00 55.11 H new ATOM 0 HG2 LYS A 95 0.658 26.268 -13.485 1.00 62.23 H new ATOM 0 HG3 LYS A 95 -0.475 27.589 -13.278 1.00 62.23 H new ATOM 0 HD2 LYS A 95 0.971 28.554 -11.849 1.00 63.22 H new ATOM 0 HD3 LYS A 95 0.704 27.231 -10.732 1.00 63.22 H new ATOM 0 HE2 LYS A 95 2.646 26.124 -11.340 1.00 53.52 H new ATOM 0 HE3 LYS A 95 2.599 26.711 -12.991 1.00 53.52 H new ATOM 0 HZ1 LYS A 95 4.405 27.717 -11.753 1.00 51.32 H new ATOM 0 HZ2 LYS A 95 3.277 28.905 -12.200 1.00 51.32 H new ATOM 0 HZ3 LYS A 95 3.322 28.336 -10.601 1.00 51.32 H new ATOM 1521 N ASP A 96 -1.810 22.829 -11.175 1.00 34.13 N ATOM 1522 CA ASP A 96 -2.790 22.009 -10.472 1.00 22.45 C ATOM 1523 C ASP A 96 -3.256 20.849 -11.346 1.00 41.04 C ATOM 1524 O ASP A 96 -2.887 20.753 -12.518 1.00 34.25 O ATOM 1525 CB ASP A 96 -3.989 22.859 -10.048 1.00 61.44 C ATOM 1526 CG ASP A 96 -4.359 23.897 -11.090 1.00 30.54 C ATOM 1527 OD1 ASP A 96 -4.917 23.512 -12.139 1.00 12.22 O ATOM 1528 OD2 ASP A 96 -4.091 25.093 -10.855 1.00 13.31 O ATOM 0 H ASP A 96 -1.616 22.529 -12.130 1.00 34.13 H new ATOM 0 HA ASP A 96 -2.312 21.600 -9.582 1.00 22.45 H new ATOM 0 HB2 ASP A 96 -4.845 22.209 -9.866 1.00 61.44 H new ATOM 0 HB3 ASP A 96 -3.762 23.358 -9.106 1.00 61.44 H new ATOM 1533 N THR A 97 -4.068 19.969 -10.770 1.00 33.41 N ATOM 1534 CA THR A 97 -4.583 18.814 -11.496 1.00 10.24 C ATOM 1535 C THR A 97 -5.414 19.247 -12.698 1.00 63.44 C ATOM 1536 O THR A 97 -5.767 18.429 -13.548 1.00 75.02 O ATOM 1537 CB THR A 97 -5.445 17.918 -10.586 1.00 63.35 C ATOM 1538 OG1 THR A 97 -4.732 17.611 -9.383 1.00 64.43 O ATOM 1539 CG2 THR A 97 -5.824 16.629 -11.300 1.00 60.12 C ATOM 0 H THR A 97 -4.384 20.034 -9.802 1.00 33.41 H new ATOM 0 HA THR A 97 -3.719 18.245 -11.841 1.00 10.24 H new ATOM 0 HB THR A 97 -6.358 18.460 -10.338 1.00 63.35 H new ATOM 0 HG1 THR A 97 -5.343 17.664 -8.618 1.00 64.43 H new ATOM 0 HG21 THR A 97 -6.432 16.012 -10.639 1.00 60.12 H new ATOM 0 HG22 THR A 97 -6.392 16.865 -12.200 1.00 60.12 H new ATOM 0 HG23 THR A 97 -4.920 16.085 -11.574 1.00 60.12 H new ATOM 1547 N LYS A 98 -5.722 20.537 -12.765 1.00 51.33 N ATOM 1548 CA LYS A 98 -6.510 21.080 -13.866 1.00 10.14 C ATOM 1549 C LYS A 98 -5.619 21.424 -15.055 1.00 71.20 C ATOM 1550 O LYS A 98 -5.811 20.907 -16.155 1.00 22.51 O ATOM 1551 CB LYS A 98 -7.272 22.326 -13.408 1.00 43.24 C ATOM 1552 CG LYS A 98 -8.617 22.501 -14.091 1.00 13.02 C ATOM 1553 CD LYS A 98 -8.645 23.749 -14.957 1.00 53.11 C ATOM 1554 CE LYS A 98 -10.043 24.026 -15.490 1.00 44.32 C ATOM 1555 NZ LYS A 98 -10.620 22.838 -16.178 1.00 2.04 N ATOM 0 H LYS A 98 -5.438 21.227 -12.070 1.00 51.33 H new ATOM 0 HA LYS A 98 -7.225 20.319 -14.179 1.00 10.14 H new ATOM 0 HB2 LYS A 98 -7.425 22.272 -12.330 1.00 43.24 H new ATOM 0 HB3 LYS A 98 -6.659 23.207 -13.599 1.00 43.24 H new ATOM 0 HG2 LYS A 98 -8.831 21.626 -14.705 1.00 13.02 H new ATOM 0 HG3 LYS A 98 -9.403 22.562 -13.338 1.00 13.02 H new ATOM 0 HD2 LYS A 98 -8.300 24.604 -14.376 1.00 53.11 H new ATOM 0 HD3 LYS A 98 -7.953 23.630 -15.791 1.00 53.11 H new ATOM 0 HE2 LYS A 98 -10.694 24.320 -14.667 1.00 44.32 H new ATOM 0 HE3 LYS A 98 -10.007 24.866 -16.184 1.00 44.32 H new ATOM 0 HZ1 LYS A 98 -11.475 23.120 -16.699 1.00 2.04 H new ATOM 0 HZ2 LYS A 98 -9.922 22.449 -16.843 1.00 2.04 H new ATOM 0 HZ3 LYS A 98 -10.867 22.115 -15.473 1.00 2.04 H new ATOM 1569 N GLU A 99 -4.645 22.298 -14.826 1.00 4.54 N ATOM 1570 CA GLU A 99 -3.724 22.710 -15.879 1.00 73.43 C ATOM 1571 C GLU A 99 -2.875 21.532 -16.350 1.00 2.33 C ATOM 1572 O GLU A 99 -2.356 21.534 -17.466 1.00 14.13 O ATOM 1573 CB GLU A 99 -2.820 23.840 -15.385 1.00 25.04 C ATOM 1574 CG GLU A 99 -2.386 24.797 -16.482 1.00 42.11 C ATOM 1575 CD GLU A 99 -2.682 26.245 -16.144 1.00 3.32 C ATOM 1576 OE1 GLU A 99 -3.809 26.531 -15.690 1.00 33.44 O ATOM 1577 OE2 GLU A 99 -1.785 27.093 -16.333 1.00 43.44 O ATOM 0 H GLU A 99 -4.473 22.735 -13.921 1.00 4.54 H new ATOM 0 HA GLU A 99 -4.314 23.071 -16.722 1.00 73.43 H new ATOM 0 HB2 GLU A 99 -3.344 24.401 -14.612 1.00 25.04 H new ATOM 0 HB3 GLU A 99 -1.934 23.408 -14.920 1.00 25.04 H new ATOM 0 HG2 GLU A 99 -1.317 24.680 -16.659 1.00 42.11 H new ATOM 0 HG3 GLU A 99 -2.893 24.534 -17.410 1.00 42.11 H new ATOM 1584 N ALA A 100 -2.737 20.529 -15.489 1.00 60.24 N ATOM 1585 CA ALA A 100 -1.952 19.345 -15.816 1.00 73.33 C ATOM 1586 C ALA A 100 -2.659 18.490 -16.863 1.00 23.32 C ATOM 1587 O ALA A 100 -2.040 18.027 -17.822 1.00 22.41 O ATOM 1588 CB ALA A 100 -1.680 18.529 -14.561 1.00 74.42 C ATOM 0 H ALA A 100 -3.158 20.513 -14.560 1.00 60.24 H new ATOM 0 HA ALA A 100 -1.001 19.674 -16.235 1.00 73.33 H new ATOM 0 HB1 ALA A 100 -1.093 17.648 -14.820 1.00 74.42 H new ATOM 0 HB2 ALA A 100 -1.126 19.136 -13.845 1.00 74.42 H new ATOM 0 HB3 ALA A 100 -2.626 18.217 -14.118 1.00 74.42 H new ATOM 1594 N LEU A 101 -3.957 18.283 -16.673 1.00 11.22 N ATOM 1595 CA LEU A 101 -4.748 17.483 -17.601 1.00 34.53 C ATOM 1596 C LEU A 101 -4.802 18.138 -18.977 1.00 3.01 C ATOM 1597 O LEU A 101 -4.710 17.462 -20.002 1.00 32.24 O ATOM 1598 CB LEU A 101 -6.166 17.291 -17.059 1.00 71.01 C ATOM 1599 CG LEU A 101 -6.319 16.284 -15.919 1.00 24.32 C ATOM 1600 CD1 LEU A 101 -7.547 16.606 -15.082 1.00 41.52 C ATOM 1601 CD2 LEU A 101 -6.402 14.866 -16.467 1.00 4.42 C ATOM 0 H LEU A 101 -4.484 18.658 -15.885 1.00 11.22 H new ATOM 0 HA LEU A 101 -4.269 16.509 -17.702 1.00 34.53 H new ATOM 0 HB2 LEU A 101 -6.536 18.257 -16.715 1.00 71.01 H new ATOM 0 HB3 LEU A 101 -6.809 16.978 -17.882 1.00 71.01 H new ATOM 0 HG LEU A 101 -5.440 16.354 -15.278 1.00 24.32 H new ATOM 0 HD11 LEU A 101 -7.639 15.878 -14.276 1.00 41.52 H new ATOM 0 HD12 LEU A 101 -7.447 17.606 -14.659 1.00 41.52 H new ATOM 0 HD13 LEU A 101 -8.437 16.565 -15.711 1.00 41.52 H new ATOM 0 HD21 LEU A 101 -6.511 14.163 -15.641 1.00 4.42 H new ATOM 0 HD22 LEU A 101 -7.263 14.782 -17.131 1.00 4.42 H new ATOM 0 HD23 LEU A 101 -5.492 14.637 -17.022 1.00 4.42 H new ATOM 1613 N ASP A 102 -4.948 19.458 -18.992 1.00 52.32 N ATOM 1614 CA ASP A 102 -5.010 20.206 -20.243 1.00 12.24 C ATOM 1615 C ASP A 102 -3.644 20.244 -20.921 1.00 54.42 C ATOM 1616 O ASP A 102 -3.546 20.182 -22.147 1.00 10.31 O ATOM 1617 CB ASP A 102 -5.506 21.630 -19.986 1.00 1.22 C ATOM 1618 CG ASP A 102 -6.699 21.992 -20.848 1.00 41.24 C ATOM 1619 OD1 ASP A 102 -6.489 22.404 -22.008 1.00 64.13 O ATOM 1620 OD2 ASP A 102 -7.843 21.865 -20.363 1.00 62.23 O ATOM 0 H ASP A 102 -5.026 20.032 -18.153 1.00 52.32 H new ATOM 0 HA ASP A 102 -5.711 19.700 -20.907 1.00 12.24 H new ATOM 0 HB2 ASP A 102 -5.776 21.733 -18.935 1.00 1.22 H new ATOM 0 HB3 ASP A 102 -4.696 22.334 -20.178 1.00 1.22 H new ATOM 1625 N LYS A 103 -2.592 20.348 -20.116 1.00 53.24 N ATOM 1626 CA LYS A 103 -1.231 20.395 -20.638 1.00 34.34 C ATOM 1627 C LYS A 103 -0.904 19.126 -21.418 1.00 22.42 C ATOM 1628 O LYS A 103 -0.230 19.175 -22.447 1.00 42.42 O ATOM 1629 CB LYS A 103 -0.231 20.575 -19.494 1.00 10.33 C ATOM 1630 CG LYS A 103 0.119 22.027 -19.215 1.00 34.11 C ATOM 1631 CD LYS A 103 1.471 22.397 -19.801 1.00 12.20 C ATOM 1632 CE LYS A 103 1.399 22.554 -21.312 1.00 62.32 C ATOM 1633 NZ LYS A 103 2.749 22.509 -21.939 1.00 3.40 N ATOM 0 H LYS A 103 -2.656 20.401 -19.099 1.00 53.24 H new ATOM 0 HA LYS A 103 -1.157 21.246 -21.315 1.00 34.34 H new ATOM 0 HB2 LYS A 103 -0.643 20.129 -18.589 1.00 10.33 H new ATOM 0 HB3 LYS A 103 0.682 20.029 -19.731 1.00 10.33 H new ATOM 0 HG2 LYS A 103 -0.650 22.675 -19.635 1.00 34.11 H new ATOM 0 HG3 LYS A 103 0.128 22.200 -18.139 1.00 34.11 H new ATOM 0 HD2 LYS A 103 1.820 23.328 -19.354 1.00 12.20 H new ATOM 0 HD3 LYS A 103 2.201 21.628 -19.548 1.00 12.20 H new ATOM 0 HE2 LYS A 103 0.778 21.762 -21.730 1.00 62.32 H new ATOM 0 HE3 LYS A 103 0.916 23.500 -21.556 1.00 62.32 H new ATOM 0 HZ1 LYS A 103 2.657 22.619 -22.969 1.00 3.40 H new ATOM 0 HZ2 LYS A 103 3.334 23.280 -21.559 1.00 3.40 H new ATOM 0 HZ3 LYS A 103 3.200 21.596 -21.728 1.00 3.40 H new ATOM 1647 N ILE A 104 -1.386 17.991 -20.922 1.00 62.12 N ATOM 1648 CA ILE A 104 -1.146 16.710 -21.575 1.00 21.10 C ATOM 1649 C ILE A 104 -1.897 16.618 -22.899 1.00 14.24 C ATOM 1650 O ILE A 104 -1.534 15.836 -23.776 1.00 73.13 O ATOM 1651 CB ILE A 104 -1.567 15.532 -20.676 1.00 3.41 C ATOM 1652 CG1 ILE A 104 -0.736 15.521 -19.391 1.00 41.01 C ATOM 1653 CG2 ILE A 104 -1.415 14.216 -21.423 1.00 34.54 C ATOM 1654 CD1 ILE A 104 -1.235 14.536 -18.357 1.00 53.04 C ATOM 0 H ILE A 104 -1.945 17.933 -20.071 1.00 62.12 H new ATOM 0 HA ILE A 104 -0.074 16.648 -21.763 1.00 21.10 H new ATOM 0 HB ILE A 104 -2.616 15.655 -20.407 1.00 3.41 H new ATOM 0 HG12 ILE A 104 0.298 15.282 -19.639 1.00 41.01 H new ATOM 0 HG13 ILE A 104 -0.737 16.521 -18.958 1.00 41.01 H new ATOM 0 HG21 ILE A 104 -1.716 13.393 -20.775 1.00 34.54 H new ATOM 0 HG22 ILE A 104 -2.046 14.227 -22.312 1.00 34.54 H new ATOM 0 HG23 ILE A 104 -0.374 14.083 -21.718 1.00 34.54 H new ATOM 0 HD11 ILE A 104 -0.599 14.583 -17.473 1.00 53.04 H new ATOM 0 HD12 ILE A 104 -2.259 14.786 -18.080 1.00 53.04 H new ATOM 0 HD13 ILE A 104 -1.207 13.528 -18.771 1.00 53.04 H new