USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 LYS NZ :NH3+ 175:sc= -0.686 (180deg=-0.0984) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -0.683 USER MOD Set 2.1: A 45 MET CE :methyl -171:sc= -1.4 (180deg=-1.29) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= -0.0219 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= 0.564 (180deg=-0.686) USER MOD Single : A 9 GLN : amide:sc= 0.161 K(o=0.16,f=-3.1!) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0.0518 (180deg=-0.011) USER MOD Single : A 15 ASN : amide:sc= -3.19! X(o=-3.2!,f=-2.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0529 USER MOD Single : A 24 GLN : amide:sc= -0.733 X(o=-0.73,f=-0.31) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 0.597 (180deg=0.327) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0289) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.162 (180deg=0.0216) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.51 K(o=-1.5,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0.0401 (180deg=0.0398) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-7.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.384 (180deg=0.373) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00789) USER MOD Single : A 91 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.038) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.514 K(o=-0.51,f=-3.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 14.825 -4.500 -0.077 1.00 44.51 N ATOM 39 CA LYS A 4 14.767 -4.958 1.323 1.00 31.21 C ATOM 40 C LYS A 4 13.404 -5.566 1.658 1.00 4.04 C ATOM 41 O LYS A 4 12.458 -5.495 0.861 1.00 73.41 O ATOM 42 CB LYS A 4 15.097 -3.768 2.274 1.00 32.02 C ATOM 43 CG LYS A 4 16.570 -3.256 2.246 1.00 14.21 C ATOM 44 CD LYS A 4 17.579 -4.119 3.071 1.00 54.42 C ATOM 45 CE LYS A 4 17.908 -5.496 2.457 1.00 24.34 C ATOM 46 NZ LYS A 4 18.908 -6.250 3.263 1.00 11.32 N ATOM 0 HA LYS A 4 15.510 -5.743 1.463 1.00 31.21 H new ATOM 0 HB2 LYS A 4 14.440 -2.936 2.023 1.00 32.02 H new ATOM 0 HB3 LYS A 4 14.857 -4.067 3.294 1.00 32.02 H new ATOM 0 HG2 LYS A 4 16.907 -3.219 1.210 1.00 14.21 H new ATOM 0 HG3 LYS A 4 16.592 -2.234 2.625 1.00 14.21 H new ATOM 0 HD2 LYS A 4 18.506 -3.557 3.186 1.00 54.42 H new ATOM 0 HD3 LYS A 4 17.172 -4.271 4.071 1.00 54.42 H new ATOM 0 HE2 LYS A 4 16.993 -6.083 2.376 1.00 24.34 H new ATOM 0 HE3 LYS A 4 18.289 -5.358 1.445 1.00 24.34 H new ATOM 0 HZ1 LYS A 4 19.097 -7.168 2.812 1.00 11.32 H new ATOM 0 HZ2 LYS A 4 19.791 -5.704 3.320 1.00 11.32 H new ATOM 0 HZ3 LYS A 4 18.535 -6.406 4.221 1.00 11.32 H new ATOM 60 N LYS A 5 13.333 -6.191 2.849 1.00 10.25 N ATOM 61 CA LYS A 5 12.109 -6.798 3.365 1.00 4.13 C ATOM 62 C LYS A 5 11.332 -5.724 4.140 1.00 12.33 C ATOM 63 O LYS A 5 11.636 -5.401 5.299 1.00 53.21 O ATOM 64 CB LYS A 5 12.449 -8.050 4.229 1.00 52.24 C ATOM 65 CG LYS A 5 11.234 -8.959 4.609 1.00 31.31 C ATOM 66 CD LYS A 5 10.540 -8.588 5.948 1.00 32.13 C ATOM 67 CE LYS A 5 11.504 -8.687 7.148 1.00 21.55 C ATOM 68 NZ LYS A 5 10.805 -8.505 8.443 1.00 34.34 N ATOM 0 H LYS A 5 14.131 -6.285 3.477 1.00 10.25 H new ATOM 0 HA LYS A 5 11.476 -7.157 2.553 1.00 4.13 H new ATOM 0 HB2 LYS A 5 13.177 -8.655 3.689 1.00 52.24 H new ATOM 0 HB3 LYS A 5 12.931 -7.715 5.148 1.00 52.24 H new ATOM 0 HG2 LYS A 5 10.497 -8.910 3.808 1.00 31.31 H new ATOM 0 HG3 LYS A 5 11.575 -9.993 4.666 1.00 31.31 H new ATOM 0 HD2 LYS A 5 10.146 -7.574 5.883 1.00 32.13 H new ATOM 0 HD3 LYS A 5 9.690 -9.250 6.111 1.00 32.13 H new ATOM 0 HE2 LYS A 5 11.997 -9.659 7.137 1.00 21.55 H new ATOM 0 HE3 LYS A 5 12.284 -7.932 7.049 1.00 21.55 H new ATOM 0 HZ1 LYS A 5 11.372 -7.889 9.060 1.00 34.34 H new ATOM 0 HZ2 LYS A 5 9.876 -8.068 8.278 1.00 34.34 H new ATOM 0 HZ3 LYS A 5 10.676 -9.430 8.901 1.00 34.34 H new ATOM 82 N VAL A 6 10.352 -5.154 3.444 1.00 23.12 N ATOM 83 CA VAL A 6 9.430 -4.136 3.965 1.00 3.41 C ATOM 84 C VAL A 6 8.134 -4.849 4.365 1.00 44.11 C ATOM 85 O VAL A 6 7.657 -5.738 3.645 1.00 70.03 O ATOM 86 CB VAL A 6 9.140 -2.987 2.890 1.00 53.22 C ATOM 87 CG1 VAL A 6 9.126 -3.531 1.439 1.00 74.12 C ATOM 88 CG2 VAL A 6 7.812 -2.254 3.175 1.00 64.22 C ATOM 0 H VAL A 6 10.168 -5.392 2.470 1.00 23.12 H new ATOM 0 HA VAL A 6 9.879 -3.641 4.826 1.00 3.41 H new ATOM 0 HB VAL A 6 9.962 -2.277 2.985 1.00 53.22 H new ATOM 0 HG11 VAL A 6 8.925 -2.714 0.746 1.00 74.12 H new ATOM 0 HG12 VAL A 6 10.095 -3.974 1.207 1.00 74.12 H new ATOM 0 HG13 VAL A 6 8.348 -4.288 1.342 1.00 74.12 H new ATOM 0 HG21 VAL A 6 7.654 -1.482 2.422 1.00 64.22 H new ATOM 0 HG22 VAL A 6 6.988 -2.967 3.142 1.00 64.22 H new ATOM 0 HG23 VAL A 6 7.855 -1.794 4.162 1.00 64.22 H new ATOM 98 N GLU A 7 7.577 -4.473 5.523 1.00 74.14 N ATOM 99 CA GLU A 7 6.302 -5.021 5.998 1.00 24.03 C ATOM 100 C GLU A 7 5.223 -3.937 5.851 1.00 75.52 C ATOM 101 O GLU A 7 5.278 -2.881 6.493 1.00 22.31 O ATOM 102 CB GLU A 7 6.434 -5.565 7.442 1.00 33.22 C ATOM 103 CG GLU A 7 7.232 -6.887 7.526 1.00 54.12 C ATOM 104 CD GLU A 7 7.327 -7.477 8.945 1.00 74.54 C ATOM 105 OE1 GLU A 7 6.289 -7.865 9.509 1.00 1.12 O ATOM 106 OE2 GLU A 7 8.443 -7.555 9.500 1.00 55.15 O ATOM 0 H GLU A 7 7.994 -3.786 6.152 1.00 74.14 H new ATOM 0 HA GLU A 7 6.005 -5.878 5.394 1.00 24.03 H new ATOM 0 HB2 GLU A 7 6.922 -4.814 8.063 1.00 33.22 H new ATOM 0 HB3 GLU A 7 5.438 -5.723 7.856 1.00 33.22 H new ATOM 0 HG2 GLU A 7 6.766 -7.622 6.869 1.00 54.12 H new ATOM 0 HG3 GLU A 7 8.240 -6.715 7.148 1.00 54.12 H new ATOM 113 N VAL A 8 4.272 -4.232 4.953 1.00 3.14 N ATOM 114 CA VAL A 8 3.221 -3.319 4.490 1.00 51.13 C ATOM 115 C VAL A 8 1.920 -3.623 5.256 1.00 44.23 C ATOM 116 O VAL A 8 1.284 -4.659 5.027 1.00 2.24 O ATOM 117 CB VAL A 8 3.018 -3.513 2.931 1.00 13.40 C ATOM 118 CG1 VAL A 8 1.872 -2.644 2.361 1.00 61.23 C ATOM 119 CG2 VAL A 8 4.345 -3.249 2.175 1.00 70.32 C ATOM 0 H VAL A 8 4.213 -5.150 4.513 1.00 3.14 H new ATOM 0 HA VAL A 8 3.503 -2.283 4.678 1.00 51.13 H new ATOM 0 HB VAL A 8 2.722 -4.551 2.776 1.00 13.40 H new ATOM 0 HG11 VAL A 8 1.781 -2.820 1.289 1.00 61.23 H new ATOM 0 HG12 VAL A 8 0.936 -2.908 2.853 1.00 61.23 H new ATOM 0 HG13 VAL A 8 2.091 -1.591 2.539 1.00 61.23 H new ATOM 0 HG21 VAL A 8 4.188 -3.387 1.105 1.00 70.32 H new ATOM 0 HG22 VAL A 8 4.675 -2.228 2.365 1.00 70.32 H new ATOM 0 HG23 VAL A 8 5.107 -3.947 2.523 1.00 70.32 H new ATOM 129 N GLN A 9 1.541 -2.721 6.178 1.00 23.24 N ATOM 130 CA GLN A 9 0.383 -2.927 7.062 1.00 13.22 C ATOM 131 C GLN A 9 -0.832 -2.238 6.431 1.00 72.40 C ATOM 132 O GLN A 9 -0.977 -1.022 6.524 1.00 13.12 O ATOM 133 CB GLN A 9 0.678 -2.355 8.478 1.00 4.43 C ATOM 134 CG GLN A 9 2.002 -2.851 9.100 1.00 15.24 C ATOM 135 CD GLN A 9 2.265 -2.305 10.509 1.00 53.24 C ATOM 136 OE1 GLN A 9 1.333 -2.038 11.273 1.00 63.21 O ATOM 137 NE2 GLN A 9 3.532 -2.139 10.870 1.00 0.40 N ATOM 0 H GLN A 9 2.025 -1.836 6.330 1.00 23.24 H new ATOM 0 HA GLN A 9 0.178 -3.992 7.176 1.00 13.22 H new ATOM 0 HB2 GLN A 9 0.703 -1.267 8.420 1.00 4.43 H new ATOM 0 HB3 GLN A 9 -0.144 -2.620 9.143 1.00 4.43 H new ATOM 0 HG2 GLN A 9 1.989 -3.940 9.139 1.00 15.24 H new ATOM 0 HG3 GLN A 9 2.828 -2.565 8.449 1.00 15.24 H new ATOM 0 HE21 GLN A 9 4.282 -2.368 10.218 1.00 0.40 H new ATOM 0 HE22 GLN A 9 3.755 -1.783 11.799 1.00 0.40 H new ATOM 146 N VAL A 10 -1.690 -3.038 5.786 1.00 60.41 N ATOM 147 CA VAL A 10 -2.854 -2.546 5.039 1.00 54.53 C ATOM 148 C VAL A 10 -4.089 -2.544 5.960 1.00 5.30 C ATOM 149 O VAL A 10 -4.641 -3.606 6.271 1.00 40.51 O ATOM 150 CB VAL A 10 -3.106 -3.435 3.757 1.00 34.20 C ATOM 151 CG1 VAL A 10 -4.367 -2.987 2.983 1.00 62.24 C ATOM 152 CG2 VAL A 10 -1.860 -3.445 2.832 1.00 0.13 C ATOM 0 H VAL A 10 -1.595 -4.053 5.768 1.00 60.41 H new ATOM 0 HA VAL A 10 -2.663 -1.527 4.703 1.00 54.53 H new ATOM 0 HB VAL A 10 -3.283 -4.454 4.101 1.00 34.20 H new ATOM 0 HG11 VAL A 10 -4.503 -3.624 2.109 1.00 62.24 H new ATOM 0 HG12 VAL A 10 -5.240 -3.068 3.631 1.00 62.24 H new ATOM 0 HG13 VAL A 10 -4.248 -1.952 2.662 1.00 62.24 H new ATOM 0 HG21 VAL A 10 -2.061 -4.064 1.958 1.00 0.13 H new ATOM 0 HG22 VAL A 10 -1.636 -2.427 2.512 1.00 0.13 H new ATOM 0 HG23 VAL A 10 -1.007 -3.851 3.375 1.00 0.13 H new ATOM 162 N LYS A 11 -4.480 -1.338 6.413 1.00 22.45 N ATOM 163 CA LYS A 11 -5.643 -1.112 7.282 1.00 55.32 C ATOM 164 C LYS A 11 -6.775 -0.557 6.411 1.00 22.34 C ATOM 165 O LYS A 11 -6.768 0.622 6.072 1.00 11.14 O ATOM 166 CB LYS A 11 -5.245 -0.092 8.400 1.00 20.14 C ATOM 167 CG LYS A 11 -6.410 0.403 9.304 1.00 3.12 C ATOM 168 CD LYS A 11 -6.038 1.643 10.156 1.00 41.33 C ATOM 169 CE LYS A 11 -5.004 1.350 11.259 1.00 42.44 C ATOM 170 NZ LYS A 11 -5.596 0.561 12.371 1.00 5.12 N ATOM 0 H LYS A 11 -3.984 -0.478 6.179 1.00 22.45 H new ATOM 0 HA LYS A 11 -5.972 -2.035 7.760 1.00 55.32 H new ATOM 0 HB2 LYS A 11 -4.487 -0.553 9.034 1.00 20.14 H new ATOM 0 HB3 LYS A 11 -4.782 0.774 7.928 1.00 20.14 H new ATOM 0 HG2 LYS A 11 -7.269 0.645 8.678 1.00 3.12 H new ATOM 0 HG3 LYS A 11 -6.716 -0.406 9.967 1.00 3.12 H new ATOM 0 HD2 LYS A 11 -5.645 2.419 9.499 1.00 41.33 H new ATOM 0 HD3 LYS A 11 -6.943 2.042 10.615 1.00 41.33 H new ATOM 0 HE2 LYS A 11 -4.162 0.804 10.833 1.00 42.44 H new ATOM 0 HE3 LYS A 11 -4.611 2.289 11.648 1.00 42.44 H new ATOM 0 HZ1 LYS A 11 -4.862 0.354 13.079 1.00 5.12 H new ATOM 0 HZ2 LYS A 11 -6.361 1.107 12.815 1.00 5.12 H new ATOM 0 HZ3 LYS A 11 -5.979 -0.331 11.998 1.00 5.12 H new ATOM 184 N ILE A 12 -7.753 -1.395 6.047 1.00 35.04 N ATOM 185 CA ILE A 12 -8.827 -0.997 5.116 1.00 52.03 C ATOM 186 C ILE A 12 -10.197 -1.019 5.817 1.00 65.23 C ATOM 187 O ILE A 12 -10.649 -2.059 6.302 1.00 51.45 O ATOM 188 CB ILE A 12 -8.833 -1.875 3.804 1.00 20.33 C ATOM 189 CG1 ILE A 12 -10.011 -1.444 2.871 1.00 60.43 C ATOM 190 CG2 ILE A 12 -8.856 -3.393 4.102 1.00 34.42 C ATOM 191 CD1 ILE A 12 -10.049 -2.149 1.536 1.00 2.44 C ATOM 0 H ILE A 12 -7.827 -2.356 6.381 1.00 35.04 H new ATOM 0 HA ILE A 12 -8.624 0.028 4.805 1.00 52.03 H new ATOM 0 HB ILE A 12 -7.895 -1.692 3.280 1.00 20.33 H new ATOM 0 HG12 ILE A 12 -10.952 -1.626 3.390 1.00 60.43 H new ATOM 0 HG13 ILE A 12 -9.945 -0.370 2.698 1.00 60.43 H new ATOM 0 HG21 ILE A 12 -8.859 -3.948 3.164 1.00 34.42 H new ATOM 0 HG22 ILE A 12 -7.973 -3.664 4.681 1.00 34.42 H new ATOM 0 HG23 ILE A 12 -9.752 -3.638 4.672 1.00 34.42 H new ATOM 0 HD11 ILE A 12 -10.898 -1.786 0.957 1.00 2.44 H new ATOM 0 HD12 ILE A 12 -9.126 -1.947 0.992 1.00 2.44 H new ATOM 0 HD13 ILE A 12 -10.150 -3.223 1.694 1.00 2.44 H new ATOM 203 N THR A 13 -10.840 0.156 5.878 1.00 30.52 N ATOM 204 CA THR A 13 -12.160 0.315 6.484 1.00 70.31 C ATOM 205 C THR A 13 -13.232 0.272 5.368 1.00 53.11 C ATOM 206 O THR A 13 -13.388 1.229 4.595 1.00 23.32 O ATOM 207 CB THR A 13 -12.234 1.649 7.299 1.00 21.52 C ATOM 208 OG1 THR A 13 -11.089 1.733 8.174 1.00 75.45 O ATOM 209 CG2 THR A 13 -13.520 1.739 8.147 1.00 21.01 C ATOM 0 H THR A 13 -10.453 1.023 5.505 1.00 30.52 H new ATOM 0 HA THR A 13 -12.346 -0.500 7.184 1.00 70.31 H new ATOM 0 HB THR A 13 -12.242 2.474 6.587 1.00 21.52 H new ATOM 0 HG1 THR A 13 -11.129 2.568 8.686 1.00 75.45 H new ATOM 0 HG21 THR A 13 -13.529 2.681 8.696 1.00 21.01 H new ATOM 0 HG22 THR A 13 -14.391 1.692 7.493 1.00 21.01 H new ATOM 0 HG23 THR A 13 -13.550 0.908 8.852 1.00 21.01 H new ATOM 217 N CYS A 14 -13.912 -0.885 5.264 1.00 75.31 N ATOM 218 CA CYS A 14 -14.992 -1.144 4.294 1.00 61.35 C ATOM 219 C CYS A 14 -16.285 -1.482 5.047 1.00 4.33 C ATOM 220 O CYS A 14 -16.289 -2.388 5.889 1.00 32.12 O ATOM 221 CB CYS A 14 -14.611 -2.315 3.376 1.00 41.13 C ATOM 222 SG CYS A 14 -15.908 -2.792 2.177 1.00 22.25 S ATOM 0 H CYS A 14 -13.721 -1.685 5.867 1.00 75.31 H new ATOM 0 HA CYS A 14 -15.144 -0.253 3.685 1.00 61.35 H new ATOM 0 HB2 CYS A 14 -13.707 -2.051 2.828 1.00 41.13 H new ATOM 0 HB3 CYS A 14 -14.369 -3.180 3.993 1.00 41.13 H new ATOM 227 N ASN A 15 -17.369 -0.732 4.733 1.00 71.41 N ATOM 228 CA ASN A 15 -18.700 -0.844 5.381 1.00 65.31 C ATOM 229 C ASN A 15 -18.639 -0.532 6.892 1.00 20.23 C ATOM 230 O ASN A 15 -19.514 -0.954 7.663 1.00 20.14 O ATOM 231 CB ASN A 15 -19.340 -2.238 5.095 1.00 31.51 C ATOM 232 CG ASN A 15 -19.633 -2.473 3.609 1.00 33.44 C ATOM 233 OD1 ASN A 15 -19.929 -1.543 2.856 1.00 44.15 O ATOM 234 ND2 ASN A 15 -19.565 -3.719 3.171 1.00 3.10 N ATOM 0 H ASN A 15 -17.343 -0.017 4.006 1.00 71.41 H new ATOM 0 HA ASN A 15 -19.347 -0.086 4.939 1.00 65.31 H new ATOM 0 HB2 ASN A 15 -18.670 -3.019 5.455 1.00 31.51 H new ATOM 0 HB3 ASN A 15 -20.267 -2.328 5.660 1.00 31.51 H new ATOM 0 HD21 ASN A 15 -19.760 -3.927 2.191 1.00 3.10 H new ATOM 0 HD22 ASN A 15 -19.318 -4.472 3.813 1.00 3.10 H new ATOM 241 N GLY A 16 -17.630 0.271 7.283 1.00 72.45 N ATOM 242 CA GLY A 16 -17.400 0.627 8.686 1.00 24.02 C ATOM 243 C GLY A 16 -16.697 -0.473 9.487 1.00 12.33 C ATOM 244 O GLY A 16 -16.624 -0.400 10.719 1.00 64.22 O ATOM 0 H GLY A 16 -16.959 0.685 6.636 1.00 72.45 H new ATOM 0 HA2 GLY A 16 -16.800 1.536 8.728 1.00 24.02 H new ATOM 0 HA3 GLY A 16 -18.357 0.854 9.157 1.00 24.02 H new ATOM 248 N LYS A 17 -16.184 -1.499 8.775 1.00 42.42 N ATOM 249 CA LYS A 17 -15.401 -2.606 9.359 1.00 61.42 C ATOM 250 C LYS A 17 -13.932 -2.449 8.948 1.00 14.02 C ATOM 251 O LYS A 17 -13.641 -2.255 7.768 1.00 43.34 O ATOM 252 CB LYS A 17 -15.923 -3.983 8.863 1.00 63.41 C ATOM 253 CG LYS A 17 -17.324 -4.385 9.374 1.00 60.01 C ATOM 254 CD LYS A 17 -17.738 -5.804 8.907 1.00 40.14 C ATOM 255 CE LYS A 17 -16.738 -6.899 9.329 1.00 64.44 C ATOM 256 NZ LYS A 17 -16.642 -7.055 10.801 1.00 20.22 N ATOM 0 H LYS A 17 -16.304 -1.582 7.765 1.00 42.42 H new ATOM 0 HA LYS A 17 -15.502 -2.569 10.444 1.00 61.42 H new ATOM 0 HB2 LYS A 17 -15.941 -3.974 7.773 1.00 63.41 H new ATOM 0 HB3 LYS A 17 -15.211 -4.752 9.164 1.00 63.41 H new ATOM 0 HG2 LYS A 17 -17.336 -4.346 10.463 1.00 60.01 H new ATOM 0 HG3 LYS A 17 -18.058 -3.661 9.021 1.00 60.01 H new ATOM 0 HD2 LYS A 17 -18.720 -6.041 9.315 1.00 40.14 H new ATOM 0 HD3 LYS A 17 -17.835 -5.808 7.821 1.00 40.14 H new ATOM 0 HE2 LYS A 17 -17.039 -7.849 8.887 1.00 64.44 H new ATOM 0 HE3 LYS A 17 -15.753 -6.659 8.929 1.00 64.44 H new ATOM 0 HZ1 LYS A 17 -15.956 -7.804 11.027 1.00 20.22 H new ATOM 0 HZ2 LYS A 17 -16.328 -6.159 11.225 1.00 20.22 H new ATOM 0 HZ3 LYS A 17 -17.574 -7.312 11.184 1.00 20.22 H new ATOM 270 N THR A 18 -13.017 -2.587 9.913 1.00 3.43 N ATOM 271 CA THR A 18 -11.581 -2.328 9.703 1.00 11.21 C ATOM 272 C THR A 18 -10.809 -3.656 9.648 1.00 34.42 C ATOM 273 O THR A 18 -10.800 -4.420 10.618 1.00 5.41 O ATOM 274 CB THR A 18 -11.022 -1.416 10.839 1.00 54.52 C ATOM 275 OG1 THR A 18 -11.808 -0.215 10.910 1.00 1.35 O ATOM 276 CG2 THR A 18 -9.541 -1.044 10.630 1.00 30.42 C ATOM 0 H THR A 18 -13.246 -2.881 10.862 1.00 3.43 H new ATOM 0 HA THR A 18 -11.452 -1.810 8.753 1.00 11.21 H new ATOM 0 HB THR A 18 -11.086 -1.979 11.770 1.00 54.52 H new ATOM 0 HG1 THR A 18 -11.462 0.361 11.624 1.00 1.35 H new ATOM 0 HG21 THR A 18 -9.206 -0.409 11.450 1.00 30.42 H new ATOM 0 HG22 THR A 18 -8.938 -1.952 10.604 1.00 30.42 H new ATOM 0 HG23 THR A 18 -9.430 -0.508 9.687 1.00 30.42 H new ATOM 284 N TYR A 19 -10.178 -3.919 8.496 1.00 75.25 N ATOM 285 CA TYR A 19 -9.377 -5.122 8.248 1.00 23.14 C ATOM 286 C TYR A 19 -7.910 -4.677 8.133 1.00 44.44 C ATOM 287 O TYR A 19 -7.509 -4.137 7.094 1.00 15.44 O ATOM 288 CB TYR A 19 -9.826 -5.822 6.922 1.00 54.45 C ATOM 289 CG TYR A 19 -11.346 -6.032 6.770 1.00 31.24 C ATOM 290 CD1 TYR A 19 -12.158 -5.056 6.169 1.00 1.44 C ATOM 291 CD2 TYR A 19 -11.966 -7.202 7.216 1.00 53.11 C ATOM 292 CE1 TYR A 19 -13.521 -5.236 6.029 1.00 33.13 C ATOM 293 CE2 TYR A 19 -13.333 -7.383 7.075 1.00 62.05 C ATOM 294 CZ TYR A 19 -14.103 -6.402 6.479 1.00 21.23 C ATOM 295 OH TYR A 19 -15.462 -6.582 6.342 1.00 45.32 O ATOM 0 H TYR A 19 -10.212 -3.288 7.695 1.00 75.25 H new ATOM 0 HA TYR A 19 -9.508 -5.837 9.060 1.00 23.14 H new ATOM 0 HB2 TYR A 19 -9.472 -5.228 6.079 1.00 54.45 H new ATOM 0 HB3 TYR A 19 -9.334 -6.792 6.858 1.00 54.45 H new ATOM 0 HD1 TYR A 19 -11.707 -4.144 5.808 1.00 1.44 H new ATOM 0 HD2 TYR A 19 -11.371 -7.977 7.677 1.00 53.11 H new ATOM 0 HE1 TYR A 19 -14.126 -4.468 5.570 1.00 33.13 H new ATOM 0 HE2 TYR A 19 -13.797 -8.291 7.431 1.00 62.05 H new ATOM 0 HH TYR A 19 -15.715 -7.455 6.708 1.00 45.32 H new ATOM 305 N GLU A 20 -7.107 -4.873 9.188 1.00 40.41 N ATOM 306 CA GLU A 20 -5.679 -4.498 9.178 1.00 13.40 C ATOM 307 C GLU A 20 -4.797 -5.742 9.339 1.00 73.34 C ATOM 308 O GLU A 20 -5.079 -6.614 10.173 1.00 2.43 O ATOM 309 CB GLU A 20 -5.362 -3.423 10.252 1.00 64.25 C ATOM 310 CG GLU A 20 -5.573 -3.838 11.718 1.00 74.32 C ATOM 311 CD GLU A 20 -5.278 -2.687 12.691 1.00 44.42 C ATOM 312 OE1 GLU A 20 -4.086 -2.377 12.923 1.00 42.32 O ATOM 313 OE2 GLU A 20 -6.234 -2.050 13.189 1.00 22.13 O ATOM 0 H GLU A 20 -7.420 -5.291 10.064 1.00 40.41 H new ATOM 0 HA GLU A 20 -5.453 -4.049 8.211 1.00 13.40 H new ATOM 0 HB2 GLU A 20 -4.324 -3.114 10.130 1.00 64.25 H new ATOM 0 HB3 GLU A 20 -5.980 -2.548 10.052 1.00 64.25 H new ATOM 0 HG2 GLU A 20 -6.601 -4.174 11.855 1.00 74.32 H new ATOM 0 HG3 GLU A 20 -4.927 -4.684 11.952 1.00 74.32 H new ATOM 320 N ARG A 21 -3.749 -5.824 8.503 1.00 2.30 N ATOM 321 CA ARG A 21 -2.820 -6.963 8.485 1.00 13.13 C ATOM 322 C ARG A 21 -1.459 -6.525 7.920 1.00 74.13 C ATOM 323 O ARG A 21 -1.394 -5.734 6.971 1.00 74.13 O ATOM 324 CB ARG A 21 -3.408 -8.137 7.646 1.00 71.24 C ATOM 325 CG ARG A 21 -2.461 -9.348 7.478 1.00 34.22 C ATOM 326 CD ARG A 21 -3.077 -10.483 6.644 1.00 4.43 C ATOM 327 NE ARG A 21 -2.088 -11.521 6.311 1.00 24.24 N ATOM 328 CZ ARG A 21 -2.193 -12.394 5.296 1.00 74.00 C ATOM 329 NH1 ARG A 21 -3.260 -12.392 4.489 1.00 2.24 N ATOM 330 NH2 ARG A 21 -1.207 -13.248 5.071 1.00 61.30 N ATOM 0 H ARG A 21 -3.523 -5.101 7.820 1.00 2.30 H new ATOM 0 HA ARG A 21 -2.678 -7.313 9.507 1.00 13.13 H new ATOM 0 HB2 ARG A 21 -4.330 -8.477 8.118 1.00 71.24 H new ATOM 0 HB3 ARG A 21 -3.675 -7.762 6.658 1.00 71.24 H new ATOM 0 HG2 ARG A 21 -1.537 -9.016 7.004 1.00 34.22 H new ATOM 0 HG3 ARG A 21 -2.194 -9.732 8.462 1.00 34.22 H new ATOM 0 HD2 ARG A 21 -3.902 -10.932 7.196 1.00 4.43 H new ATOM 0 HD3 ARG A 21 -3.495 -10.072 5.725 1.00 4.43 H new ATOM 0 HE ARG A 21 -1.256 -11.582 6.898 1.00 24.24 H new ATOM 0 HH11 ARG A 21 -4.012 -11.719 4.639 1.00 2.24 H new ATOM 0 HH12 ARG A 21 -3.322 -13.063 3.723 1.00 2.24 H new ATOM 0 HH21 ARG A 21 -0.378 -13.238 5.666 1.00 61.30 H new ATOM 0 HH22 ARG A 21 -1.276 -13.916 4.303 1.00 61.30 H new ATOM 344 N THR A 22 -0.390 -7.056 8.524 1.00 63.01 N ATOM 345 CA THR A 22 0.992 -6.805 8.131 1.00 53.24 C ATOM 346 C THR A 22 1.465 -7.884 7.122 1.00 61.14 C ATOM 347 O THR A 22 1.481 -9.078 7.442 1.00 54.03 O ATOM 348 CB THR A 22 1.897 -6.818 9.402 1.00 35.44 C ATOM 349 OG1 THR A 22 1.388 -5.880 10.376 1.00 14.41 O ATOM 350 CG2 THR A 22 3.350 -6.477 9.078 1.00 42.35 C ATOM 0 H THR A 22 -0.470 -7.688 9.320 1.00 63.01 H new ATOM 0 HA THR A 22 1.062 -5.830 7.649 1.00 53.24 H new ATOM 0 HB THR A 22 1.875 -7.830 9.807 1.00 35.44 H new ATOM 0 HG1 THR A 22 1.959 -5.893 11.173 1.00 14.41 H new ATOM 0 HG21 THR A 22 3.942 -6.498 9.993 1.00 42.35 H new ATOM 0 HG22 THR A 22 3.746 -7.207 8.373 1.00 42.35 H new ATOM 0 HG23 THR A 22 3.400 -5.482 8.637 1.00 42.35 H new ATOM 358 N TYR A 23 1.827 -7.449 5.903 1.00 64.43 N ATOM 359 CA TYR A 23 2.300 -8.334 4.818 1.00 53.03 C ATOM 360 C TYR A 23 3.825 -8.223 4.665 1.00 52.12 C ATOM 361 O TYR A 23 4.357 -7.118 4.588 1.00 4.05 O ATOM 362 CB TYR A 23 1.605 -7.965 3.482 1.00 3.43 C ATOM 363 CG TYR A 23 0.073 -8.116 3.505 1.00 61.50 C ATOM 364 CD1 TYR A 23 -0.749 -7.080 3.959 1.00 44.12 C ATOM 365 CD2 TYR A 23 -0.547 -9.296 3.075 1.00 24.14 C ATOM 366 CE1 TYR A 23 -2.121 -7.211 3.984 1.00 62.22 C ATOM 367 CE2 TYR A 23 -1.925 -9.427 3.096 1.00 44.12 C ATOM 368 CZ TYR A 23 -2.705 -8.386 3.555 1.00 23.34 C ATOM 369 OH TYR A 23 -4.075 -8.519 3.591 1.00 54.31 O ATOM 0 H TYR A 23 1.800 -6.464 5.638 1.00 64.43 H new ATOM 0 HA TYR A 23 2.046 -9.362 5.075 1.00 53.03 H new ATOM 0 HB2 TYR A 23 1.854 -6.934 3.229 1.00 3.43 H new ATOM 0 HB3 TYR A 23 2.009 -8.594 2.689 1.00 3.43 H new ATOM 0 HD1 TYR A 23 -0.300 -6.158 4.297 1.00 44.12 H new ATOM 0 HD2 TYR A 23 0.060 -10.117 2.721 1.00 24.14 H new ATOM 0 HE1 TYR A 23 -2.737 -6.397 4.338 1.00 62.22 H new ATOM 0 HE2 TYR A 23 -2.388 -10.341 2.754 1.00 44.12 H new ATOM 0 HH TYR A 23 -4.327 -9.404 3.254 1.00 54.31 H new ATOM 379 N GLN A 24 4.514 -9.373 4.593 1.00 23.31 N ATOM 380 CA GLN A 24 5.987 -9.417 4.457 1.00 52.43 C ATOM 381 C GLN A 24 6.348 -9.459 2.954 1.00 71.14 C ATOM 382 O GLN A 24 6.087 -10.464 2.280 1.00 12.13 O ATOM 383 CB GLN A 24 6.596 -10.649 5.211 1.00 13.30 C ATOM 384 CG GLN A 24 6.534 -10.603 6.764 1.00 70.25 C ATOM 385 CD GLN A 24 5.110 -10.633 7.348 1.00 2.33 C ATOM 386 OE1 GLN A 24 4.538 -11.698 7.569 1.00 12.42 O ATOM 387 NE2 GLN A 24 4.549 -9.472 7.650 1.00 54.44 N ATOM 0 H GLN A 24 4.075 -10.293 4.627 1.00 23.31 H new ATOM 0 HA GLN A 24 6.413 -8.523 4.912 1.00 52.43 H new ATOM 0 HB2 GLN A 24 6.078 -11.547 4.874 1.00 13.30 H new ATOM 0 HB3 GLN A 24 7.639 -10.752 4.913 1.00 13.30 H new ATOM 0 HG2 GLN A 24 7.094 -11.449 7.162 1.00 70.25 H new ATOM 0 HG3 GLN A 24 7.035 -9.698 7.108 1.00 70.25 H new ATOM 0 HE21 GLN A 24 5.044 -8.601 7.457 1.00 54.44 H new ATOM 0 HE22 GLN A 24 3.622 -9.449 8.076 1.00 54.44 H new ATOM 396 N LEU A 25 6.924 -8.357 2.434 1.00 33.33 N ATOM 397 CA LEU A 25 7.322 -8.231 1.012 1.00 53.41 C ATOM 398 C LEU A 25 8.838 -8.004 0.913 1.00 60.22 C ATOM 399 O LEU A 25 9.345 -6.973 1.354 1.00 44.45 O ATOM 400 CB LEU A 25 6.555 -7.061 0.318 1.00 54.05 C ATOM 401 CG LEU A 25 5.009 -7.234 0.184 1.00 62.53 C ATOM 402 CD1 LEU A 25 4.375 -6.021 -0.534 1.00 24.42 C ATOM 403 CD2 LEU A 25 4.648 -8.562 -0.525 1.00 72.11 C ATOM 0 H LEU A 25 7.128 -7.525 2.988 1.00 33.33 H new ATOM 0 HA LEU A 25 7.063 -9.157 0.498 1.00 53.41 H new ATOM 0 HB2 LEU A 25 6.750 -6.145 0.876 1.00 54.05 H new ATOM 0 HB3 LEU A 25 6.972 -6.922 -0.679 1.00 54.05 H new ATOM 0 HG LEU A 25 4.592 -7.279 1.190 1.00 62.53 H new ATOM 0 HD11 LEU A 25 3.298 -6.168 -0.614 1.00 24.42 H new ATOM 0 HD12 LEU A 25 4.576 -5.114 0.037 1.00 24.42 H new ATOM 0 HD13 LEU A 25 4.803 -5.924 -1.532 1.00 24.42 H new ATOM 0 HD21 LEU A 25 3.564 -8.651 -0.602 1.00 72.11 H new ATOM 0 HD22 LEU A 25 5.084 -8.572 -1.524 1.00 72.11 H new ATOM 0 HD23 LEU A 25 5.041 -9.400 0.051 1.00 72.11 H new ATOM 415 N TYR A 26 9.553 -8.992 0.357 1.00 34.45 N ATOM 416 CA TYR A 26 10.987 -8.879 0.032 1.00 12.32 C ATOM 417 C TYR A 26 11.156 -8.842 -1.495 1.00 11.21 C ATOM 418 O TYR A 26 10.498 -9.602 -2.211 1.00 35.34 O ATOM 419 CB TYR A 26 11.790 -10.066 0.635 1.00 41.44 C ATOM 420 CG TYR A 26 13.301 -10.008 0.333 1.00 41.23 C ATOM 421 CD1 TYR A 26 14.131 -9.104 1.002 1.00 73.20 C ATOM 422 CD2 TYR A 26 13.894 -10.835 -0.632 1.00 32.03 C ATOM 423 CE1 TYR A 26 15.478 -9.016 0.718 1.00 33.41 C ATOM 424 CE2 TYR A 26 15.246 -10.751 -0.912 1.00 62.20 C ATOM 425 CZ TYR A 26 16.032 -9.841 -0.231 1.00 43.22 C ATOM 426 OH TYR A 26 17.380 -9.746 -0.517 1.00 54.02 O ATOM 0 H TYR A 26 9.153 -9.899 0.117 1.00 34.45 H new ATOM 0 HA TYR A 26 11.377 -7.959 0.467 1.00 12.32 H new ATOM 0 HB2 TYR A 26 11.644 -10.080 1.715 1.00 41.44 H new ATOM 0 HB3 TYR A 26 11.386 -11.001 0.247 1.00 41.44 H new ATOM 0 HD1 TYR A 26 13.708 -8.460 1.759 1.00 73.20 H new ATOM 0 HD2 TYR A 26 13.285 -11.550 -1.166 1.00 32.03 H new ATOM 0 HE1 TYR A 26 16.096 -8.300 1.240 1.00 33.41 H new ATOM 0 HE2 TYR A 26 15.686 -11.394 -1.660 1.00 62.20 H new ATOM 0 HH TYR A 26 17.614 -10.399 -1.209 1.00 54.02 H new ATOM 436 N ALA A 27 12.058 -7.973 -1.977 1.00 41.33 N ATOM 437 CA ALA A 27 12.384 -7.841 -3.410 1.00 43.03 C ATOM 438 C ALA A 27 13.901 -7.740 -3.597 1.00 21.53 C ATOM 439 O ALA A 27 14.649 -7.660 -2.615 1.00 70.51 O ATOM 440 CB ALA A 27 11.688 -6.603 -3.995 1.00 24.31 C ATOM 0 H ALA A 27 12.587 -7.336 -1.381 1.00 41.33 H new ATOM 0 HA ALA A 27 12.027 -8.725 -3.939 1.00 43.03 H new ATOM 0 HB1 ALA A 27 11.934 -6.513 -5.053 1.00 24.31 H new ATOM 0 HB2 ALA A 27 10.609 -6.704 -3.881 1.00 24.31 H new ATOM 0 HB3 ALA A 27 12.027 -5.712 -3.467 1.00 24.31 H new ATOM 446 N VAL A 28 14.350 -7.781 -4.865 1.00 31.25 N ATOM 447 CA VAL A 28 15.742 -7.458 -5.236 1.00 72.13 C ATOM 448 C VAL A 28 15.797 -6.000 -5.731 1.00 32.02 C ATOM 449 O VAL A 28 16.694 -5.233 -5.367 1.00 44.31 O ATOM 450 CB VAL A 28 16.308 -8.413 -6.358 1.00 54.54 C ATOM 451 CG1 VAL A 28 17.821 -8.165 -6.601 1.00 70.53 C ATOM 452 CG2 VAL A 28 16.032 -9.896 -6.028 1.00 30.55 C ATOM 0 H VAL A 28 13.762 -8.037 -5.658 1.00 31.25 H new ATOM 0 HA VAL A 28 16.363 -7.597 -4.351 1.00 72.13 H new ATOM 0 HB VAL A 28 15.781 -8.177 -7.283 1.00 54.54 H new ATOM 0 HG11 VAL A 28 18.180 -8.839 -7.379 1.00 70.53 H new ATOM 0 HG12 VAL A 28 17.975 -7.133 -6.915 1.00 70.53 H new ATOM 0 HG13 VAL A 28 18.373 -8.349 -5.679 1.00 70.53 H new ATOM 0 HG21 VAL A 28 16.435 -10.526 -6.821 1.00 30.55 H new ATOM 0 HG22 VAL A 28 16.509 -10.153 -5.082 1.00 30.55 H new ATOM 0 HG23 VAL A 28 14.957 -10.057 -5.947 1.00 30.55 H new ATOM 462 N ARG A 29 14.809 -5.636 -6.572 1.00 54.51 N ATOM 463 CA ARG A 29 14.678 -4.279 -7.135 1.00 53.42 C ATOM 464 C ARG A 29 13.373 -3.622 -6.658 1.00 4.13 C ATOM 465 O ARG A 29 12.425 -4.309 -6.259 1.00 22.52 O ATOM 466 CB ARG A 29 14.734 -4.332 -8.694 1.00 20.44 C ATOM 467 CG ARG A 29 16.036 -4.953 -9.248 1.00 25.41 C ATOM 468 CD ARG A 29 16.110 -4.999 -10.789 1.00 64.04 C ATOM 469 NE ARG A 29 17.363 -5.645 -11.230 1.00 43.35 N ATOM 470 CZ ARG A 29 17.565 -6.240 -12.418 1.00 65.13 C ATOM 471 NH1 ARG A 29 16.600 -6.300 -13.336 1.00 14.21 N ATOM 472 NH2 ARG A 29 18.741 -6.804 -12.658 1.00 72.02 N ATOM 0 H ARG A 29 14.078 -6.277 -6.880 1.00 54.51 H new ATOM 0 HA ARG A 29 15.512 -3.673 -6.782 1.00 53.42 H new ATOM 0 HB2 ARG A 29 13.883 -4.907 -9.060 1.00 20.44 H new ATOM 0 HB3 ARG A 29 14.628 -3.321 -9.087 1.00 20.44 H new ATOM 0 HG2 ARG A 29 16.886 -4.383 -8.872 1.00 25.41 H new ATOM 0 HG3 ARG A 29 16.135 -5.967 -8.860 1.00 25.41 H new ATOM 0 HD2 ARG A 29 15.254 -5.546 -11.183 1.00 64.04 H new ATOM 0 HD3 ARG A 29 16.055 -3.988 -11.192 1.00 64.04 H new ATOM 0 HE ARG A 29 18.144 -5.639 -10.575 1.00 43.35 H new ATOM 0 HH11 ARG A 29 15.686 -5.889 -13.143 1.00 14.21 H new ATOM 0 HH12 ARG A 29 16.775 -6.757 -14.231 1.00 14.21 H new ATOM 0 HH21 ARG A 29 19.472 -6.781 -11.947 1.00 72.02 H new ATOM 0 HH22 ARG A 29 18.914 -7.261 -13.553 1.00 72.02 H new ATOM 486 N ASP A 30 13.347 -2.286 -6.712 1.00 4.24 N ATOM 487 CA ASP A 30 12.180 -1.471 -6.334 1.00 44.01 C ATOM 488 C ASP A 30 11.026 -1.666 -7.342 1.00 53.32 C ATOM 489 O ASP A 30 9.849 -1.556 -6.979 1.00 52.44 O ATOM 490 CB ASP A 30 12.605 0.023 -6.215 1.00 23.33 C ATOM 491 CG ASP A 30 13.000 0.710 -7.545 1.00 31.21 C ATOM 492 OD1 ASP A 30 13.682 0.078 -8.387 1.00 11.52 O ATOM 493 OD2 ASP A 30 12.674 1.905 -7.735 1.00 2.25 O ATOM 0 H ASP A 30 14.144 -1.730 -7.023 1.00 4.24 H new ATOM 0 HA ASP A 30 11.809 -1.797 -5.362 1.00 44.01 H new ATOM 0 HB2 ASP A 30 11.783 0.582 -5.767 1.00 23.33 H new ATOM 0 HB3 ASP A 30 13.448 0.089 -5.527 1.00 23.33 H new ATOM 498 N GLU A 31 11.390 -1.972 -8.611 1.00 60.12 N ATOM 499 CA GLU A 31 10.431 -2.382 -9.658 1.00 75.12 C ATOM 500 C GLU A 31 9.691 -3.666 -9.252 1.00 3.11 C ATOM 501 O GLU A 31 8.473 -3.780 -9.450 1.00 14.33 O ATOM 502 CB GLU A 31 11.151 -2.590 -11.019 1.00 11.22 C ATOM 503 CG GLU A 31 11.725 -1.305 -11.646 1.00 10.20 C ATOM 504 CD GLU A 31 10.654 -0.241 -11.982 1.00 72.44 C ATOM 505 OE1 GLU A 31 9.810 -0.484 -12.878 1.00 2.13 O ATOM 506 OE2 GLU A 31 10.642 0.841 -11.354 1.00 74.24 O ATOM 0 H GLU A 31 12.357 -1.941 -8.934 1.00 60.12 H new ATOM 0 HA GLU A 31 9.701 -1.581 -9.770 1.00 75.12 H new ATOM 0 HB2 GLU A 31 11.963 -3.304 -10.880 1.00 11.22 H new ATOM 0 HB3 GLU A 31 10.449 -3.039 -11.721 1.00 11.22 H new ATOM 0 HG2 GLU A 31 12.452 -0.871 -10.960 1.00 10.20 H new ATOM 0 HG3 GLU A 31 12.263 -1.566 -12.557 1.00 10.20 H new ATOM 513 N GLU A 32 10.440 -4.620 -8.653 1.00 22.13 N ATOM 514 CA GLU A 32 9.877 -5.898 -8.184 1.00 62.44 C ATOM 515 C GLU A 32 8.881 -5.661 -7.023 1.00 21.53 C ATOM 516 O GLU A 32 7.963 -6.437 -6.842 1.00 34.12 O ATOM 517 CB GLU A 32 10.992 -6.886 -7.729 1.00 5.42 C ATOM 518 CG GLU A 32 12.153 -7.108 -8.726 1.00 75.11 C ATOM 519 CD GLU A 32 11.714 -7.489 -10.153 1.00 33.02 C ATOM 520 OE1 GLU A 32 11.069 -8.551 -10.332 1.00 44.43 O ATOM 521 OE2 GLU A 32 12.004 -6.732 -11.105 1.00 63.32 O ATOM 0 H GLU A 32 11.441 -4.523 -8.484 1.00 22.13 H new ATOM 0 HA GLU A 32 9.349 -6.347 -9.025 1.00 62.44 H new ATOM 0 HB2 GLU A 32 11.411 -6.522 -6.791 1.00 5.42 H new ATOM 0 HB3 GLU A 32 10.531 -7.851 -7.519 1.00 5.42 H new ATOM 0 HG2 GLU A 32 12.750 -6.197 -8.775 1.00 75.11 H new ATOM 0 HG3 GLU A 32 12.801 -7.894 -8.338 1.00 75.11 H new ATOM 528 N LEU A 33 9.082 -4.574 -6.247 1.00 44.41 N ATOM 529 CA LEU A 33 8.216 -4.238 -5.090 1.00 43.25 C ATOM 530 C LEU A 33 6.857 -3.653 -5.584 1.00 23.00 C ATOM 531 O LEU A 33 5.822 -3.886 -4.958 1.00 40.31 O ATOM 532 CB LEU A 33 8.959 -3.252 -4.117 1.00 34.43 C ATOM 533 CG LEU A 33 8.734 -3.461 -2.566 1.00 40.50 C ATOM 534 CD1 LEU A 33 7.266 -3.277 -2.134 1.00 3.32 C ATOM 535 CD2 LEU A 33 9.270 -4.836 -2.095 1.00 65.03 C ATOM 0 H LEU A 33 9.840 -3.909 -6.400 1.00 44.41 H new ATOM 0 HA LEU A 33 7.999 -5.148 -4.530 1.00 43.25 H new ATOM 0 HB2 LEU A 33 10.028 -3.323 -4.316 1.00 34.43 H new ATOM 0 HB3 LEU A 33 8.655 -2.236 -4.369 1.00 34.43 H new ATOM 0 HG LEU A 33 9.308 -2.675 -2.076 1.00 40.50 H new ATOM 0 HD11 LEU A 33 7.181 -3.434 -1.059 1.00 3.32 H new ATOM 0 HD12 LEU A 33 6.938 -2.267 -2.380 1.00 3.32 H new ATOM 0 HD13 LEU A 33 6.640 -4.000 -2.657 1.00 3.32 H new ATOM 0 HD21 LEU A 33 9.099 -4.946 -1.024 1.00 65.03 H new ATOM 0 HD22 LEU A 33 8.750 -5.631 -2.629 1.00 65.03 H new ATOM 0 HD23 LEU A 33 10.339 -4.900 -2.300 1.00 65.03 H new ATOM 547 N LYS A 34 6.890 -2.917 -6.726 1.00 11.22 N ATOM 548 CA LYS A 34 5.688 -2.290 -7.347 1.00 11.42 C ATOM 549 C LYS A 34 4.567 -3.319 -7.595 1.00 23.21 C ATOM 550 O LYS A 34 3.438 -3.146 -7.124 1.00 5.43 O ATOM 551 CB LYS A 34 6.075 -1.608 -8.691 1.00 52.53 C ATOM 552 CG LYS A 34 6.970 -0.360 -8.553 1.00 40.14 C ATOM 553 CD LYS A 34 7.567 0.113 -9.898 1.00 41.24 C ATOM 554 CE LYS A 34 6.517 0.337 -10.996 1.00 21.52 C ATOM 555 NZ LYS A 34 7.140 0.770 -12.275 1.00 32.31 N ATOM 0 H LYS A 34 7.751 -2.740 -7.244 1.00 11.22 H new ATOM 0 HA LYS A 34 5.311 -1.543 -6.648 1.00 11.42 H new ATOM 0 HB2 LYS A 34 6.589 -2.338 -9.317 1.00 52.53 H new ATOM 0 HB3 LYS A 34 5.162 -1.326 -9.214 1.00 52.53 H new ATOM 0 HG2 LYS A 34 6.387 0.451 -8.117 1.00 40.14 H new ATOM 0 HG3 LYS A 34 7.782 -0.578 -7.859 1.00 40.14 H new ATOM 0 HD2 LYS A 34 8.114 1.042 -9.736 1.00 41.24 H new ATOM 0 HD3 LYS A 34 8.290 -0.626 -10.244 1.00 41.24 H new ATOM 0 HE2 LYS A 34 5.958 -0.585 -11.158 1.00 21.52 H new ATOM 0 HE3 LYS A 34 5.802 1.090 -10.667 1.00 21.52 H new ATOM 0 HZ1 LYS A 34 6.504 0.542 -13.066 1.00 32.31 H new ATOM 0 HZ2 LYS A 34 7.307 1.796 -12.250 1.00 32.31 H new ATOM 0 HZ3 LYS A 34 8.045 0.275 -12.405 1.00 32.31 H new ATOM 569 N GLU A 35 4.921 -4.390 -8.336 1.00 2.23 N ATOM 570 CA GLU A 35 3.988 -5.474 -8.691 1.00 22.25 C ATOM 571 C GLU A 35 3.440 -6.179 -7.433 1.00 54.03 C ATOM 572 O GLU A 35 2.276 -6.551 -7.407 1.00 73.30 O ATOM 573 CB GLU A 35 4.677 -6.496 -9.638 1.00 35.03 C ATOM 574 CG GLU A 35 5.941 -7.149 -9.052 1.00 25.52 C ATOM 575 CD GLU A 35 6.583 -8.198 -9.970 1.00 64.54 C ATOM 576 OE1 GLU A 35 7.244 -7.813 -10.948 1.00 2.41 O ATOM 577 OE2 GLU A 35 6.423 -9.413 -9.726 1.00 72.24 O ATOM 0 H GLU A 35 5.863 -4.525 -8.704 1.00 2.23 H new ATOM 0 HA GLU A 35 3.142 -5.030 -9.215 1.00 22.25 H new ATOM 0 HB2 GLU A 35 3.962 -7.279 -9.891 1.00 35.03 H new ATOM 0 HB3 GLU A 35 4.940 -5.992 -10.568 1.00 35.03 H new ATOM 0 HG2 GLU A 35 6.674 -6.371 -8.838 1.00 25.52 H new ATOM 0 HG3 GLU A 35 5.688 -7.619 -8.102 1.00 25.52 H new ATOM 584 N LYS A 36 4.291 -6.322 -6.387 1.00 41.54 N ATOM 585 CA LYS A 36 3.922 -7.008 -5.128 1.00 41.41 C ATOM 586 C LYS A 36 2.844 -6.224 -4.366 1.00 62.04 C ATOM 587 O LYS A 36 1.932 -6.820 -3.808 1.00 42.43 O ATOM 588 CB LYS A 36 5.170 -7.218 -4.229 1.00 43.44 C ATOM 589 CG LYS A 36 6.246 -8.106 -4.875 1.00 72.41 C ATOM 590 CD LYS A 36 7.525 -8.264 -4.018 1.00 4.34 C ATOM 591 CE LYS A 36 8.667 -8.930 -4.810 1.00 32.11 C ATOM 592 NZ LYS A 36 8.273 -10.246 -5.381 1.00 32.52 N ATOM 0 H LYS A 36 5.247 -5.966 -6.394 1.00 41.54 H new ATOM 0 HA LYS A 36 3.513 -7.984 -5.390 1.00 41.41 H new ATOM 0 HB2 LYS A 36 5.605 -6.247 -3.992 1.00 43.44 H new ATOM 0 HB3 LYS A 36 4.858 -7.666 -3.286 1.00 43.44 H new ATOM 0 HG2 LYS A 36 5.823 -9.093 -5.065 1.00 72.41 H new ATOM 0 HG3 LYS A 36 6.518 -7.684 -5.843 1.00 72.41 H new ATOM 0 HD2 LYS A 36 7.850 -7.285 -3.666 1.00 4.34 H new ATOM 0 HD3 LYS A 36 7.299 -8.861 -3.135 1.00 4.34 H new ATOM 0 HE2 LYS A 36 8.980 -8.267 -5.616 1.00 32.11 H new ATOM 0 HE3 LYS A 36 9.528 -9.065 -4.155 1.00 32.11 H new ATOM 0 HZ1 LYS A 36 9.102 -10.698 -5.816 1.00 32.52 H new ATOM 0 HZ2 LYS A 36 7.903 -10.856 -4.624 1.00 32.52 H new ATOM 0 HZ3 LYS A 36 7.537 -10.105 -6.103 1.00 32.52 H new ATOM 606 N LEU A 37 2.988 -4.884 -4.342 1.00 4.53 N ATOM 607 CA LEU A 37 1.985 -3.973 -3.757 1.00 61.33 C ATOM 608 C LEU A 37 0.656 -4.068 -4.516 1.00 60.12 C ATOM 609 O LEU A 37 -0.404 -4.061 -3.897 1.00 24.11 O ATOM 610 CB LEU A 37 2.504 -2.519 -3.761 1.00 11.25 C ATOM 611 CG LEU A 37 3.708 -2.238 -2.824 1.00 42.10 C ATOM 612 CD1 LEU A 37 4.280 -0.840 -3.073 1.00 60.24 C ATOM 613 CD2 LEU A 37 3.315 -2.418 -1.344 1.00 53.05 C ATOM 0 H LEU A 37 3.801 -4.404 -4.727 1.00 4.53 H new ATOM 0 HA LEU A 37 1.813 -4.276 -2.724 1.00 61.33 H new ATOM 0 HB2 LEU A 37 2.789 -2.256 -4.780 1.00 11.25 H new ATOM 0 HB3 LEU A 37 1.684 -1.858 -3.479 1.00 11.25 H new ATOM 0 HG LEU A 37 4.486 -2.966 -3.053 1.00 42.10 H new ATOM 0 HD11 LEU A 37 5.123 -0.667 -2.404 1.00 60.24 H new ATOM 0 HD12 LEU A 37 4.616 -0.763 -4.107 1.00 60.24 H new ATOM 0 HD13 LEU A 37 3.509 -0.093 -2.886 1.00 60.24 H new ATOM 0 HD21 LEU A 37 4.179 -2.215 -0.711 1.00 53.05 H new ATOM 0 HD22 LEU A 37 2.511 -1.726 -1.094 1.00 53.05 H new ATOM 0 HD23 LEU A 37 2.977 -3.441 -1.179 1.00 53.05 H new ATOM 625 N LYS A 38 0.729 -4.154 -5.862 1.00 25.24 N ATOM 626 CA LYS A 38 -0.457 -4.352 -6.714 1.00 5.03 C ATOM 627 C LYS A 38 -1.145 -5.690 -6.399 1.00 13.12 C ATOM 628 O LYS A 38 -2.365 -5.737 -6.333 1.00 40.05 O ATOM 629 CB LYS A 38 -0.072 -4.285 -8.211 1.00 10.32 C ATOM 630 CG LYS A 38 0.454 -2.911 -8.662 1.00 2.13 C ATOM 631 CD LYS A 38 0.898 -2.895 -10.137 1.00 24.00 C ATOM 632 CE LYS A 38 1.420 -1.525 -10.584 1.00 32.52 C ATOM 633 NZ LYS A 38 1.887 -1.548 -11.994 1.00 0.44 N ATOM 0 H LYS A 38 1.604 -4.089 -6.382 1.00 25.24 H new ATOM 0 HA LYS A 38 -1.161 -3.548 -6.500 1.00 5.03 H new ATOM 0 HB2 LYS A 38 0.689 -5.038 -8.414 1.00 10.32 H new ATOM 0 HB3 LYS A 38 -0.944 -4.544 -8.812 1.00 10.32 H new ATOM 0 HG2 LYS A 38 -0.325 -2.163 -8.514 1.00 2.13 H new ATOM 0 HG3 LYS A 38 1.295 -2.625 -8.031 1.00 2.13 H new ATOM 0 HD2 LYS A 38 1.678 -3.642 -10.285 1.00 24.00 H new ATOM 0 HD3 LYS A 38 0.057 -3.182 -10.768 1.00 24.00 H new ATOM 0 HE2 LYS A 38 0.631 -0.781 -10.474 1.00 32.52 H new ATOM 0 HE3 LYS A 38 2.240 -1.218 -9.934 1.00 32.52 H new ATOM 0 HZ1 LYS A 38 2.295 -0.623 -12.240 1.00 0.44 H new ATOM 0 HZ2 LYS A 38 2.610 -2.287 -12.108 1.00 0.44 H new ATOM 0 HZ3 LYS A 38 1.083 -1.750 -12.623 1.00 0.44 H new ATOM 647 N LYS A 39 -0.344 -6.765 -6.194 1.00 62.00 N ATOM 648 CA LYS A 39 -0.880 -8.100 -5.854 1.00 33.02 C ATOM 649 C LYS A 39 -1.594 -8.057 -4.489 1.00 71.21 C ATOM 650 O LYS A 39 -2.765 -8.368 -4.421 1.00 31.31 O ATOM 651 CB LYS A 39 0.221 -9.203 -5.845 1.00 4.30 C ATOM 652 CG LYS A 39 0.996 -9.380 -7.173 1.00 75.30 C ATOM 653 CD LYS A 39 0.081 -9.598 -8.403 1.00 44.32 C ATOM 654 CE LYS A 39 0.869 -9.671 -9.727 1.00 55.45 C ATOM 655 NZ LYS A 39 -0.045 -9.725 -10.897 1.00 14.42 N ATOM 0 H LYS A 39 0.673 -6.730 -6.259 1.00 62.00 H new ATOM 0 HA LYS A 39 -1.594 -8.363 -6.634 1.00 33.02 H new ATOM 0 HB2 LYS A 39 0.936 -8.972 -5.055 1.00 4.30 H new ATOM 0 HB3 LYS A 39 -0.244 -10.154 -5.586 1.00 4.30 H new ATOM 0 HG2 LYS A 39 1.614 -8.499 -7.343 1.00 75.30 H new ATOM 0 HG3 LYS A 39 1.672 -10.230 -7.079 1.00 75.30 H new ATOM 0 HD2 LYS A 39 -0.485 -10.520 -8.271 1.00 44.32 H new ATOM 0 HD3 LYS A 39 -0.643 -8.785 -8.460 1.00 44.32 H new ATOM 0 HE2 LYS A 39 1.522 -8.802 -9.813 1.00 55.45 H new ATOM 0 HE3 LYS A 39 1.510 -10.552 -9.723 1.00 55.45 H new ATOM 0 HZ1 LYS A 39 0.514 -9.774 -11.772 1.00 14.42 H new ATOM 0 HZ2 LYS A 39 -0.651 -10.568 -10.826 1.00 14.42 H new ATOM 0 HZ3 LYS A 39 -0.639 -8.872 -10.913 1.00 14.42 H new ATOM 669 N VAL A 40 -0.869 -7.600 -3.441 1.00 63.12 N ATOM 670 CA VAL A 40 -1.372 -7.506 -2.045 1.00 2.52 C ATOM 671 C VAL A 40 -2.678 -6.690 -1.968 1.00 13.31 C ATOM 672 O VAL A 40 -3.647 -7.120 -1.332 1.00 24.12 O ATOM 673 CB VAL A 40 -0.278 -6.876 -1.090 1.00 11.32 C ATOM 674 CG1 VAL A 40 -0.842 -6.504 0.304 1.00 23.32 C ATOM 675 CG2 VAL A 40 0.934 -7.829 -0.942 1.00 12.53 C ATOM 0 H VAL A 40 0.095 -7.281 -3.540 1.00 63.12 H new ATOM 0 HA VAL A 40 -1.586 -8.521 -1.709 1.00 2.52 H new ATOM 0 HB VAL A 40 0.049 -5.949 -1.560 1.00 11.32 H new ATOM 0 HG11 VAL A 40 -0.047 -6.077 0.916 1.00 23.32 H new ATOM 0 HG12 VAL A 40 -1.644 -5.775 0.189 1.00 23.32 H new ATOM 0 HG13 VAL A 40 -1.232 -7.399 0.789 1.00 23.32 H new ATOM 0 HG21 VAL A 40 1.674 -7.377 -0.282 1.00 12.53 H new ATOM 0 HG22 VAL A 40 0.602 -8.777 -0.519 1.00 12.53 H new ATOM 0 HG23 VAL A 40 1.380 -8.005 -1.921 1.00 12.53 H new ATOM 685 N LEU A 41 -2.685 -5.528 -2.640 1.00 5.22 N ATOM 686 CA LEU A 41 -3.848 -4.634 -2.671 1.00 53.43 C ATOM 687 C LEU A 41 -5.008 -5.268 -3.460 1.00 54.50 C ATOM 688 O LEU A 41 -6.128 -5.179 -3.018 1.00 42.13 O ATOM 689 CB LEU A 41 -3.458 -3.228 -3.216 1.00 74.35 C ATOM 690 CG LEU A 41 -2.636 -2.338 -2.218 1.00 10.44 C ATOM 691 CD1 LEU A 41 -2.098 -1.064 -2.895 1.00 15.55 C ATOM 692 CD2 LEU A 41 -3.476 -1.984 -0.971 1.00 4.15 C ATOM 0 H LEU A 41 -1.887 -5.185 -3.174 1.00 5.22 H new ATOM 0 HA LEU A 41 -4.200 -4.490 -1.649 1.00 53.43 H new ATOM 0 HB2 LEU A 41 -2.877 -3.357 -4.129 1.00 74.35 H new ATOM 0 HB3 LEU A 41 -4.368 -2.695 -3.490 1.00 74.35 H new ATOM 0 HG LEU A 41 -1.775 -2.925 -1.897 1.00 10.44 H new ATOM 0 HD11 LEU A 41 -1.535 -0.476 -2.170 1.00 15.55 H new ATOM 0 HD12 LEU A 41 -1.445 -1.340 -3.723 1.00 15.55 H new ATOM 0 HD13 LEU A 41 -2.932 -0.472 -3.272 1.00 15.55 H new ATOM 0 HD21 LEU A 41 -2.883 -1.367 -0.296 1.00 4.15 H new ATOM 0 HD22 LEU A 41 -4.367 -1.435 -1.276 1.00 4.15 H new ATOM 0 HD23 LEU A 41 -3.772 -2.900 -0.460 1.00 4.15 H new ATOM 704 N ASN A 42 -4.724 -5.935 -4.603 1.00 10.43 N ATOM 705 CA ASN A 42 -5.763 -6.655 -5.396 1.00 35.44 C ATOM 706 C ASN A 42 -6.412 -7.793 -4.590 1.00 21.23 C ATOM 707 O ASN A 42 -7.632 -7.952 -4.629 1.00 20.04 O ATOM 708 CB ASN A 42 -5.175 -7.202 -6.732 1.00 30.12 C ATOM 709 CG ASN A 42 -5.046 -6.165 -7.857 1.00 3.01 C ATOM 710 OD1 ASN A 42 -5.148 -6.510 -9.038 1.00 2.42 O ATOM 711 ND2 ASN A 42 -4.803 -4.898 -7.527 1.00 25.33 N ATOM 0 H ASN A 42 -3.787 -5.993 -5.001 1.00 10.43 H new ATOM 0 HA ASN A 42 -6.541 -5.929 -5.633 1.00 35.44 H new ATOM 0 HB2 ASN A 42 -4.190 -7.624 -6.532 1.00 30.12 H new ATOM 0 HB3 ASN A 42 -5.806 -8.019 -7.082 1.00 30.12 H new ATOM 0 HD21 ASN A 42 -4.698 -4.192 -8.256 1.00 25.33 H new ATOM 0 HD22 ASN A 42 -4.722 -4.633 -6.545 1.00 25.33 H new ATOM 718 N GLU A 43 -5.584 -8.564 -3.861 1.00 52.44 N ATOM 719 CA GLU A 43 -6.061 -9.657 -2.999 1.00 14.20 C ATOM 720 C GLU A 43 -6.984 -9.087 -1.910 1.00 60.35 C ATOM 721 O GLU A 43 -8.075 -9.602 -1.670 1.00 53.23 O ATOM 722 CB GLU A 43 -4.871 -10.415 -2.333 1.00 4.32 C ATOM 723 CG GLU A 43 -3.841 -11.058 -3.292 1.00 53.22 C ATOM 724 CD GLU A 43 -4.456 -12.016 -4.325 1.00 25.23 C ATOM 725 OE1 GLU A 43 -4.738 -13.184 -3.975 1.00 4.20 O ATOM 726 OE2 GLU A 43 -4.656 -11.620 -5.496 1.00 10.31 O ATOM 0 H GLU A 43 -4.571 -8.446 -3.854 1.00 52.44 H new ATOM 0 HA GLU A 43 -6.610 -10.366 -3.619 1.00 14.20 H new ATOM 0 HB2 GLU A 43 -4.343 -9.718 -1.683 1.00 4.32 H new ATOM 0 HB3 GLU A 43 -5.279 -11.199 -1.695 1.00 4.32 H new ATOM 0 HG2 GLU A 43 -3.308 -10.266 -3.819 1.00 53.22 H new ATOM 0 HG3 GLU A 43 -3.103 -11.602 -2.703 1.00 53.22 H new ATOM 733 N ARG A 44 -6.519 -7.987 -1.289 1.00 65.02 N ATOM 734 CA ARG A 44 -7.204 -7.321 -0.175 1.00 31.11 C ATOM 735 C ARG A 44 -8.524 -6.671 -0.632 1.00 33.34 C ATOM 736 O ARG A 44 -9.530 -6.781 0.057 1.00 73.12 O ATOM 737 CB ARG A 44 -6.255 -6.259 0.455 1.00 24.03 C ATOM 738 CG ARG A 44 -6.690 -5.710 1.834 1.00 30.11 C ATOM 739 CD ARG A 44 -6.883 -6.822 2.896 1.00 2.44 C ATOM 740 NE ARG A 44 -6.597 -6.351 4.267 1.00 55.51 N ATOM 741 CZ ARG A 44 -6.508 -7.145 5.349 1.00 74.14 C ATOM 742 NH1 ARG A 44 -6.709 -8.459 5.258 1.00 73.15 N ATOM 743 NH2 ARG A 44 -6.178 -6.628 6.514 1.00 12.32 N ATOM 0 H ARG A 44 -5.645 -7.533 -1.554 1.00 65.02 H new ATOM 0 HA ARG A 44 -7.457 -8.070 0.575 1.00 31.11 H new ATOM 0 HB2 ARG A 44 -5.263 -6.698 0.555 1.00 24.03 H new ATOM 0 HB3 ARG A 44 -6.165 -5.422 -0.237 1.00 24.03 H new ATOM 0 HG2 ARG A 44 -5.941 -5.002 2.189 1.00 30.11 H new ATOM 0 HG3 ARG A 44 -7.623 -5.158 1.721 1.00 30.11 H new ATOM 0 HD2 ARG A 44 -7.907 -7.191 2.849 1.00 2.44 H new ATOM 0 HD3 ARG A 44 -6.230 -7.662 2.660 1.00 2.44 H new ATOM 0 HE ARG A 44 -6.457 -5.350 4.403 1.00 55.51 H new ATOM 0 HH11 ARG A 44 -6.935 -8.879 4.356 1.00 73.15 H new ATOM 0 HH12 ARG A 44 -6.637 -9.045 6.090 1.00 73.15 H new ATOM 0 HH21 ARG A 44 -5.991 -5.628 6.594 1.00 12.32 H new ATOM 0 HH22 ARG A 44 -6.110 -7.227 7.337 1.00 12.32 H new ATOM 757 N MET A 45 -8.508 -6.036 -1.821 1.00 43.55 N ATOM 758 CA MET A 45 -9.665 -5.289 -2.349 1.00 43.24 C ATOM 759 C MET A 45 -10.710 -6.239 -2.954 1.00 10.11 C ATOM 760 O MET A 45 -11.871 -5.860 -3.076 1.00 23.51 O ATOM 761 CB MET A 45 -9.243 -4.241 -3.430 1.00 12.21 C ATOM 762 CG MET A 45 -8.355 -3.088 -2.923 1.00 11.10 C ATOM 763 SD MET A 45 -9.045 -2.226 -1.502 1.00 23.35 S ATOM 764 CE MET A 45 -10.588 -1.601 -2.148 1.00 74.23 C ATOM 0 H MET A 45 -7.697 -6.027 -2.439 1.00 43.55 H new ATOM 0 HA MET A 45 -10.101 -4.759 -1.502 1.00 43.24 H new ATOM 0 HB2 MET A 45 -8.713 -4.761 -4.228 1.00 12.21 H new ATOM 0 HB3 MET A 45 -10.145 -3.816 -3.871 1.00 12.21 H new ATOM 0 HG2 MET A 45 -7.375 -3.484 -2.658 1.00 11.10 H new ATOM 0 HG3 MET A 45 -8.202 -2.374 -3.732 1.00 11.10 H new ATOM 0 HE1 MET A 45 -11.035 -0.918 -1.425 1.00 74.23 H new ATOM 0 HE2 MET A 45 -10.403 -1.070 -3.082 1.00 74.23 H new ATOM 0 HE3 MET A 45 -11.269 -2.432 -2.332 1.00 74.23 H new ATOM 774 N ASP A 46 -10.285 -7.460 -3.325 1.00 54.15 N ATOM 775 CA ASP A 46 -11.131 -8.411 -4.076 1.00 20.52 C ATOM 776 C ASP A 46 -12.468 -8.753 -3.337 1.00 25.10 C ATOM 777 O ASP A 46 -13.542 -8.593 -3.942 1.00 42.40 O ATOM 778 CB ASP A 46 -10.329 -9.685 -4.462 1.00 73.41 C ATOM 779 CG ASP A 46 -11.047 -10.524 -5.527 1.00 3.11 C ATOM 780 OD1 ASP A 46 -10.938 -10.187 -6.722 1.00 51.34 O ATOM 781 OD2 ASP A 46 -11.721 -11.515 -5.179 1.00 51.32 O ATOM 0 H ASP A 46 -9.352 -7.816 -3.115 1.00 54.15 H new ATOM 0 HA ASP A 46 -11.427 -7.913 -4.999 1.00 20.52 H new ATOM 0 HB2 ASP A 46 -9.346 -9.394 -4.833 1.00 73.41 H new ATOM 0 HB3 ASP A 46 -10.167 -10.293 -3.572 1.00 73.41 H new ATOM 786 N PRO A 47 -12.461 -9.190 -2.018 1.00 20.13 N ATOM 787 CA PRO A 47 -13.726 -9.419 -1.258 1.00 72.34 C ATOM 788 C PRO A 47 -14.437 -8.093 -0.892 1.00 2.35 C ATOM 789 O PRO A 47 -15.645 -8.071 -0.688 1.00 0.45 O ATOM 790 CB PRO A 47 -13.244 -10.164 0.010 1.00 3.02 C ATOM 791 CG PRO A 47 -11.845 -9.672 0.222 1.00 45.20 C ATOM 792 CD PRO A 47 -11.266 -9.519 -1.166 1.00 53.04 C ATOM 0 HA PRO A 47 -14.464 -9.976 -1.835 1.00 72.34 H new ATOM 0 HB2 PRO A 47 -13.878 -9.940 0.868 1.00 3.02 H new ATOM 0 HB3 PRO A 47 -13.268 -11.245 -0.131 1.00 3.02 H new ATOM 0 HG2 PRO A 47 -11.838 -8.723 0.759 1.00 45.20 H new ATOM 0 HG3 PRO A 47 -11.265 -10.378 0.816 1.00 45.20 H new ATOM 0 HD2 PRO A 47 -10.518 -8.727 -1.203 1.00 53.04 H new ATOM 0 HD3 PRO A 47 -10.777 -10.435 -1.499 1.00 53.04 H new ATOM 800 N ILE A 48 -13.657 -7.000 -0.852 1.00 61.04 N ATOM 801 CA ILE A 48 -14.114 -5.661 -0.440 1.00 15.10 C ATOM 802 C ILE A 48 -14.987 -5.013 -1.546 1.00 74.21 C ATOM 803 O ILE A 48 -15.920 -4.251 -1.260 1.00 14.24 O ATOM 804 CB ILE A 48 -12.863 -4.772 -0.099 1.00 21.51 C ATOM 805 CG1 ILE A 48 -12.048 -5.384 1.092 1.00 35.42 C ATOM 806 CG2 ILE A 48 -13.230 -3.302 0.171 1.00 12.14 C ATOM 807 CD1 ILE A 48 -12.788 -5.521 2.412 1.00 52.10 C ATOM 0 H ILE A 48 -12.671 -7.022 -1.110 1.00 61.04 H new ATOM 0 HA ILE A 48 -14.737 -5.747 0.450 1.00 15.10 H new ATOM 0 HB ILE A 48 -12.228 -4.771 -0.985 1.00 21.51 H new ATOM 0 HG12 ILE A 48 -11.694 -6.371 0.794 1.00 35.42 H new ATOM 0 HG13 ILE A 48 -11.166 -4.766 1.257 1.00 35.42 H new ATOM 0 HG21 ILE A 48 -12.326 -2.738 0.401 1.00 12.14 H new ATOM 0 HG22 ILE A 48 -13.708 -2.878 -0.712 1.00 12.14 H new ATOM 0 HG23 ILE A 48 -13.916 -3.248 1.016 1.00 12.14 H new ATOM 0 HD11 ILE A 48 -12.123 -5.955 3.159 1.00 52.10 H new ATOM 0 HD12 ILE A 48 -13.118 -4.538 2.748 1.00 52.10 H new ATOM 0 HD13 ILE A 48 -13.655 -6.168 2.278 1.00 52.10 H new ATOM 819 N LYS A 49 -14.679 -5.346 -2.813 1.00 70.42 N ATOM 820 CA LYS A 49 -15.469 -4.909 -3.977 1.00 43.31 C ATOM 821 C LYS A 49 -16.791 -5.692 -4.040 1.00 50.14 C ATOM 822 O LYS A 49 -17.823 -5.161 -4.467 1.00 4.53 O ATOM 823 CB LYS A 49 -14.668 -5.119 -5.278 1.00 75.13 C ATOM 824 CG LYS A 49 -13.346 -4.335 -5.376 1.00 5.54 C ATOM 825 CD LYS A 49 -12.585 -4.594 -6.700 1.00 62.23 C ATOM 826 CE LYS A 49 -12.258 -6.080 -6.905 1.00 43.53 C ATOM 827 NZ LYS A 49 -11.534 -6.331 -8.175 1.00 65.05 N ATOM 0 H LYS A 49 -13.876 -5.925 -3.058 1.00 70.42 H new ATOM 0 HA LYS A 49 -15.690 -3.847 -3.871 1.00 43.31 H new ATOM 0 HB2 LYS A 49 -14.449 -6.182 -5.382 1.00 75.13 H new ATOM 0 HB3 LYS A 49 -15.299 -4.840 -6.122 1.00 75.13 H new ATOM 0 HG2 LYS A 49 -13.555 -3.269 -5.286 1.00 5.54 H new ATOM 0 HG3 LYS A 49 -12.706 -4.606 -4.536 1.00 5.54 H new ATOM 0 HD2 LYS A 49 -13.186 -4.238 -7.537 1.00 62.23 H new ATOM 0 HD3 LYS A 49 -11.660 -4.017 -6.703 1.00 62.23 H new ATOM 0 HE2 LYS A 49 -11.654 -6.435 -6.070 1.00 43.53 H new ATOM 0 HE3 LYS A 49 -13.183 -6.657 -6.897 1.00 43.53 H new ATOM 0 HZ1 LYS A 49 -11.336 -7.348 -8.267 1.00 65.05 H new ATOM 0 HZ2 LYS A 49 -12.119 -6.018 -8.976 1.00 65.05 H new ATOM 0 HZ3 LYS A 49 -10.638 -5.803 -8.174 1.00 65.05 H new ATOM 841 N LYS A 50 -16.719 -6.971 -3.623 1.00 1.44 N ATOM 842 CA LYS A 50 -17.883 -7.866 -3.478 1.00 53.22 C ATOM 843 C LYS A 50 -18.811 -7.336 -2.344 1.00 25.41 C ATOM 844 O LYS A 50 -20.029 -7.545 -2.379 1.00 3.11 O ATOM 845 CB LYS A 50 -17.343 -9.318 -3.223 1.00 34.33 C ATOM 846 CG LYS A 50 -18.343 -10.504 -3.380 1.00 4.41 C ATOM 847 CD LYS A 50 -19.313 -10.708 -2.185 1.00 11.53 C ATOM 848 CE LYS A 50 -18.580 -10.928 -0.850 1.00 3.04 C ATOM 849 NZ LYS A 50 -19.528 -11.180 0.265 1.00 33.50 N ATOM 0 H LYS A 50 -15.837 -7.418 -3.374 1.00 1.44 H new ATOM 0 HA LYS A 50 -18.495 -7.891 -4.380 1.00 53.22 H new ATOM 0 HB2 LYS A 50 -16.510 -9.490 -3.905 1.00 34.33 H new ATOM 0 HB3 LYS A 50 -16.939 -9.352 -2.211 1.00 34.33 H new ATOM 0 HG2 LYS A 50 -18.932 -10.346 -4.283 1.00 4.41 H new ATOM 0 HG3 LYS A 50 -17.774 -11.422 -3.527 1.00 4.41 H new ATOM 0 HD2 LYS A 50 -19.962 -9.837 -2.098 1.00 11.53 H new ATOM 0 HD3 LYS A 50 -19.955 -11.565 -2.387 1.00 11.53 H new ATOM 0 HE2 LYS A 50 -17.898 -11.773 -0.945 1.00 3.04 H new ATOM 0 HE3 LYS A 50 -17.973 -10.052 -0.620 1.00 3.04 H new ATOM 0 HZ1 LYS A 50 -18.996 -11.323 1.147 1.00 33.50 H new ATOM 0 HZ2 LYS A 50 -20.163 -10.363 0.372 1.00 33.50 H new ATOM 0 HZ3 LYS A 50 -20.090 -12.030 0.058 1.00 33.50 H new ATOM 863 N LEU A 51 -18.214 -6.611 -1.371 1.00 30.01 N ATOM 864 CA LEU A 51 -18.971 -5.914 -0.305 1.00 41.11 C ATOM 865 C LEU A 51 -19.631 -4.647 -0.883 1.00 14.14 C ATOM 866 O LEU A 51 -20.769 -4.306 -0.539 1.00 1.23 O ATOM 867 CB LEU A 51 -18.048 -5.522 0.887 1.00 34.20 C ATOM 868 CG LEU A 51 -17.349 -6.688 1.652 1.00 42.54 C ATOM 869 CD1 LEU A 51 -16.504 -6.151 2.828 1.00 54.33 C ATOM 870 CD2 LEU A 51 -18.359 -7.758 2.119 1.00 20.04 C ATOM 0 H LEU A 51 -17.203 -6.493 -1.302 1.00 30.01 H new ATOM 0 HA LEU A 51 -19.735 -6.597 0.068 1.00 41.11 H new ATOM 0 HB2 LEU A 51 -17.275 -4.851 0.511 1.00 34.20 H new ATOM 0 HB3 LEU A 51 -18.642 -4.954 1.603 1.00 34.20 H new ATOM 0 HG LEU A 51 -16.672 -7.178 0.953 1.00 42.54 H new ATOM 0 HD11 LEU A 51 -16.028 -6.985 3.344 1.00 54.33 H new ATOM 0 HD12 LEU A 51 -15.738 -5.475 2.447 1.00 54.33 H new ATOM 0 HD13 LEU A 51 -17.149 -5.614 3.524 1.00 54.33 H new ATOM 0 HD21 LEU A 51 -17.830 -8.552 2.647 1.00 20.04 H new ATOM 0 HD22 LEU A 51 -19.090 -7.302 2.787 1.00 20.04 H new ATOM 0 HD23 LEU A 51 -18.871 -8.177 1.253 1.00 20.04 H new ATOM 882 N GLY A 52 -18.879 -3.958 -1.762 1.00 60.21 N ATOM 883 CA GLY A 52 -19.374 -2.797 -2.497 1.00 65.12 C ATOM 884 C GLY A 52 -19.425 -1.519 -1.676 1.00 41.24 C ATOM 885 O GLY A 52 -20.358 -0.716 -1.831 1.00 32.52 O ATOM 0 H GLY A 52 -17.911 -4.197 -1.977 1.00 60.21 H new ATOM 0 HA2 GLY A 52 -18.738 -2.632 -3.367 1.00 65.12 H new ATOM 0 HA3 GLY A 52 -20.374 -3.016 -2.871 1.00 65.12 H new ATOM 889 N CYS A 53 -18.432 -1.339 -0.789 1.00 51.24 N ATOM 890 CA CYS A 53 -18.249 -0.084 -0.054 1.00 75.45 C ATOM 891 C CYS A 53 -17.736 1.003 -1.012 1.00 2.24 C ATOM 892 O CYS A 53 -16.669 0.855 -1.610 1.00 54.22 O ATOM 893 CB CYS A 53 -17.295 -0.299 1.141 1.00 2.22 C ATOM 894 SG CYS A 53 -15.851 -1.338 0.758 1.00 32.44 S ATOM 0 H CYS A 53 -17.741 -2.055 -0.565 1.00 51.24 H new ATOM 0 HA CYS A 53 -19.204 0.249 0.351 1.00 75.45 H new ATOM 0 HB2 CYS A 53 -16.948 0.672 1.495 1.00 2.22 H new ATOM 0 HB3 CYS A 53 -17.852 -0.756 1.959 1.00 2.22 H new ATOM 899 N LYS A 54 -18.529 2.083 -1.141 1.00 23.34 N ATOM 900 CA LYS A 54 -18.329 3.143 -2.154 1.00 5.42 C ATOM 901 C LYS A 54 -17.083 3.980 -1.829 1.00 21.23 C ATOM 902 O LYS A 54 -16.492 4.592 -2.710 1.00 61.32 O ATOM 903 CB LYS A 54 -19.578 4.086 -2.274 1.00 4.11 C ATOM 904 CG LYS A 54 -20.914 3.411 -2.710 1.00 74.50 C ATOM 905 CD LYS A 54 -21.537 2.503 -1.619 1.00 45.34 C ATOM 906 CE LYS A 54 -22.836 1.817 -2.069 1.00 3.02 C ATOM 907 NZ LYS A 54 -23.202 0.691 -1.171 1.00 71.44 N ATOM 0 H LYS A 54 -19.336 2.248 -0.540 1.00 23.34 H new ATOM 0 HA LYS A 54 -18.189 2.641 -3.112 1.00 5.42 H new ATOM 0 HB2 LYS A 54 -19.737 4.568 -1.309 1.00 4.11 H new ATOM 0 HB3 LYS A 54 -19.344 4.875 -2.989 1.00 4.11 H new ATOM 0 HG2 LYS A 54 -21.632 4.186 -2.979 1.00 74.50 H new ATOM 0 HG3 LYS A 54 -20.735 2.817 -3.606 1.00 74.50 H new ATOM 0 HD2 LYS A 54 -20.812 1.741 -1.333 1.00 45.34 H new ATOM 0 HD3 LYS A 54 -21.739 3.101 -0.730 1.00 45.34 H new ATOM 0 HE2 LYS A 54 -23.646 2.547 -2.087 1.00 3.02 H new ATOM 0 HE3 LYS A 54 -22.718 1.447 -3.087 1.00 3.02 H new ATOM 0 HZ1 LYS A 54 -24.074 0.242 -1.516 1.00 71.44 H new ATOM 0 HZ2 LYS A 54 -22.433 -0.009 -1.160 1.00 71.44 H new ATOM 0 HZ3 LYS A 54 -23.356 1.051 -0.208 1.00 71.44 H new ATOM 921 N ARG A 55 -16.711 4.011 -0.546 1.00 51.02 N ATOM 922 CA ARG A 55 -15.526 4.723 -0.047 1.00 1.33 C ATOM 923 C ARG A 55 -14.705 3.752 0.812 1.00 43.04 C ATOM 924 O ARG A 55 -15.245 3.147 1.742 1.00 30.54 O ATOM 925 CB ARG A 55 -15.962 5.938 0.812 1.00 4.43 C ATOM 926 CG ARG A 55 -14.809 6.822 1.367 1.00 12.41 C ATOM 927 CD ARG A 55 -15.276 7.734 2.527 1.00 20.12 C ATOM 928 NE ARG A 55 -15.631 6.943 3.728 1.00 74.21 N ATOM 929 CZ ARG A 55 -16.865 6.790 4.252 1.00 62.24 C ATOM 930 NH1 ARG A 55 -17.932 7.380 3.706 1.00 44.42 N ATOM 931 NH2 ARG A 55 -17.024 6.039 5.333 1.00 25.15 N ATOM 0 H ARG A 55 -17.233 3.534 0.190 1.00 51.02 H new ATOM 0 HA ARG A 55 -14.929 5.084 -0.884 1.00 1.33 H new ATOM 0 HB2 ARG A 55 -16.620 6.566 0.211 1.00 4.43 H new ATOM 0 HB3 ARG A 55 -16.551 5.572 1.653 1.00 4.43 H new ATOM 0 HG2 ARG A 55 -13.998 6.182 1.715 1.00 12.41 H new ATOM 0 HG3 ARG A 55 -14.407 7.438 0.563 1.00 12.41 H new ATOM 0 HD2 ARG A 55 -14.485 8.442 2.776 1.00 20.12 H new ATOM 0 HD3 ARG A 55 -16.138 8.319 2.207 1.00 20.12 H new ATOM 0 HE ARG A 55 -14.867 6.467 4.207 1.00 74.21 H new ATOM 0 HH11 ARG A 55 -17.824 7.961 2.875 1.00 44.42 H new ATOM 0 HH12 ARG A 55 -18.855 7.249 4.120 1.00 44.42 H new ATOM 0 HH21 ARG A 55 -16.218 5.583 5.761 1.00 25.15 H new ATOM 0 HH22 ARG A 55 -17.953 5.917 5.737 1.00 25.15 H new ATOM 945 N VAL A 56 -13.423 3.596 0.488 1.00 60.22 N ATOM 946 CA VAL A 56 -12.494 2.740 1.244 1.00 10.52 C ATOM 947 C VAL A 56 -11.307 3.582 1.734 1.00 44.33 C ATOM 948 O VAL A 56 -10.801 4.433 0.996 1.00 33.34 O ATOM 949 CB VAL A 56 -11.976 1.530 0.374 1.00 23.14 C ATOM 950 CG1 VAL A 56 -13.107 0.506 0.127 1.00 14.44 C ATOM 951 CG2 VAL A 56 -11.363 2.010 -0.968 1.00 4.22 C ATOM 0 H VAL A 56 -12.991 4.061 -0.311 1.00 60.22 H new ATOM 0 HA VAL A 56 -13.032 2.325 2.097 1.00 10.52 H new ATOM 0 HB VAL A 56 -11.184 1.037 0.938 1.00 23.14 H new ATOM 0 HG11 VAL A 56 -12.726 -0.319 -0.475 1.00 14.44 H new ATOM 0 HG12 VAL A 56 -13.466 0.123 1.082 1.00 14.44 H new ATOM 0 HG13 VAL A 56 -13.928 0.991 -0.401 1.00 14.44 H new ATOM 0 HG21 VAL A 56 -11.018 1.148 -1.539 1.00 4.22 H new ATOM 0 HG22 VAL A 56 -12.119 2.546 -1.542 1.00 4.22 H new ATOM 0 HG23 VAL A 56 -10.521 2.673 -0.767 1.00 4.22 H new ATOM 961 N ARG A 57 -10.900 3.368 2.995 1.00 0.20 N ATOM 962 CA ARG A 57 -9.692 3.981 3.559 1.00 53.12 C ATOM 963 C ARG A 57 -8.653 2.886 3.786 1.00 15.54 C ATOM 964 O ARG A 57 -8.774 2.103 4.722 1.00 25.45 O ATOM 965 CB ARG A 57 -10.020 4.715 4.889 1.00 22.41 C ATOM 966 CG ARG A 57 -8.787 5.296 5.629 1.00 53.52 C ATOM 967 CD ARG A 57 -9.167 6.172 6.835 1.00 2.25 C ATOM 968 NE ARG A 57 -9.908 7.372 6.409 1.00 11.11 N ATOM 969 CZ ARG A 57 -9.811 8.592 6.956 1.00 42.00 C ATOM 970 NH1 ARG A 57 -8.992 8.829 7.985 1.00 41.22 N ATOM 971 NH2 ARG A 57 -10.541 9.577 6.455 1.00 3.44 N ATOM 0 H ARG A 57 -11.400 2.766 3.649 1.00 0.20 H new ATOM 0 HA ARG A 57 -9.296 4.723 2.865 1.00 53.12 H new ATOM 0 HB2 ARG A 57 -10.716 5.527 4.678 1.00 22.41 H new ATOM 0 HB3 ARG A 57 -10.532 4.021 5.555 1.00 22.41 H new ATOM 0 HG2 ARG A 57 -8.154 4.476 5.968 1.00 53.52 H new ATOM 0 HG3 ARG A 57 -8.196 5.887 4.930 1.00 53.52 H new ATOM 0 HD2 ARG A 57 -9.775 5.594 7.531 1.00 2.25 H new ATOM 0 HD3 ARG A 57 -8.265 6.469 7.371 1.00 2.25 H new ATOM 0 HE ARG A 57 -10.554 7.265 5.627 1.00 11.11 H new ATOM 0 HH11 ARG A 57 -8.425 8.074 8.370 1.00 41.22 H new ATOM 0 HH12 ARG A 57 -8.934 9.765 8.386 1.00 41.22 H new ATOM 0 HH21 ARG A 57 -11.163 9.400 5.666 1.00 3.44 H new ATOM 0 HH22 ARG A 57 -10.481 10.512 6.858 1.00 3.44 H new ATOM 985 N ILE A 58 -7.653 2.840 2.899 1.00 23.13 N ATOM 986 CA ILE A 58 -6.494 1.949 3.002 1.00 42.54 C ATOM 987 C ILE A 58 -5.324 2.755 3.604 1.00 4.20 C ATOM 988 O ILE A 58 -4.731 3.590 2.928 1.00 64.33 O ATOM 989 CB ILE A 58 -6.074 1.397 1.584 1.00 35.24 C ATOM 990 CG1 ILE A 58 -7.271 0.683 0.880 1.00 51.12 C ATOM 991 CG2 ILE A 58 -4.846 0.460 1.694 1.00 4.30 C ATOM 992 CD1 ILE A 58 -6.965 0.162 -0.516 1.00 71.25 C ATOM 0 H ILE A 58 -7.627 3.435 2.071 1.00 23.13 H new ATOM 0 HA ILE A 58 -6.749 1.097 3.633 1.00 42.54 H new ATOM 0 HB ILE A 58 -5.788 2.248 0.965 1.00 35.24 H new ATOM 0 HG12 ILE A 58 -7.596 -0.151 1.502 1.00 51.12 H new ATOM 0 HG13 ILE A 58 -8.107 1.379 0.818 1.00 51.12 H new ATOM 0 HG21 ILE A 58 -4.578 0.094 0.703 1.00 4.30 H new ATOM 0 HG22 ILE A 58 -4.006 1.010 2.117 1.00 4.30 H new ATOM 0 HG23 ILE A 58 -5.089 -0.384 2.339 1.00 4.30 H new ATOM 0 HD11 ILE A 58 -7.853 -0.318 -0.928 1.00 71.25 H new ATOM 0 HD12 ILE A 58 -6.671 0.992 -1.158 1.00 71.25 H new ATOM 0 HD13 ILE A 58 -6.152 -0.562 -0.464 1.00 71.25 H new ATOM 1004 N SER A 59 -5.015 2.509 4.879 1.00 34.13 N ATOM 1005 CA SER A 59 -3.923 3.174 5.588 1.00 61.22 C ATOM 1006 C SER A 59 -2.742 2.199 5.645 1.00 21.32 C ATOM 1007 O SER A 59 -2.769 1.224 6.401 1.00 14.21 O ATOM 1008 CB SER A 59 -4.405 3.576 7.005 1.00 53.25 C ATOM 1009 OG SER A 59 -5.572 4.381 6.934 1.00 50.42 O ATOM 0 H SER A 59 -5.522 1.835 5.453 1.00 34.13 H new ATOM 0 HA SER A 59 -3.609 4.084 5.077 1.00 61.22 H new ATOM 0 HB2 SER A 59 -4.611 2.680 7.591 1.00 53.25 H new ATOM 0 HB3 SER A 59 -3.614 4.120 7.522 1.00 53.25 H new ATOM 0 HG SER A 59 -5.859 4.621 7.840 1.00 50.42 H new ATOM 1015 N ILE A 60 -1.732 2.453 4.804 1.00 14.43 N ATOM 1016 CA ILE A 60 -0.548 1.597 4.674 1.00 72.34 C ATOM 1017 C ILE A 60 0.574 2.142 5.566 1.00 21.41 C ATOM 1018 O ILE A 60 1.041 3.267 5.383 1.00 2.22 O ATOM 1019 CB ILE A 60 -0.084 1.505 3.164 1.00 32.01 C ATOM 1020 CG1 ILE A 60 -1.148 0.713 2.332 1.00 24.34 C ATOM 1021 CG2 ILE A 60 1.335 0.890 3.019 1.00 0.24 C ATOM 1022 CD1 ILE A 60 -0.817 0.509 0.861 1.00 32.12 C ATOM 0 H ILE A 60 -1.714 3.267 4.189 1.00 14.43 H new ATOM 0 HA ILE A 60 -0.798 0.587 5.000 1.00 72.34 H new ATOM 0 HB ILE A 60 -0.013 2.518 2.768 1.00 32.01 H new ATOM 0 HG12 ILE A 60 -1.288 -0.265 2.793 1.00 24.34 H new ATOM 0 HG13 ILE A 60 -2.101 1.238 2.402 1.00 24.34 H new ATOM 0 HG21 ILE A 60 1.608 0.848 1.964 1.00 0.24 H new ATOM 0 HG22 ILE A 60 2.056 1.507 3.556 1.00 0.24 H new ATOM 0 HG23 ILE A 60 1.339 -0.118 3.435 1.00 0.24 H new ATOM 0 HD11 ILE A 60 -1.620 -0.050 0.381 1.00 32.12 H new ATOM 0 HD12 ILE A 60 -0.709 1.478 0.374 1.00 32.12 H new ATOM 0 HD13 ILE A 60 0.116 -0.048 0.772 1.00 32.12 H new ATOM 1034 N ARG A 61 0.962 1.341 6.566 1.00 12.44 N ATOM 1035 CA ARG A 61 2.083 1.639 7.451 1.00 1.13 C ATOM 1036 C ARG A 61 3.277 0.812 6.971 1.00 55.44 C ATOM 1037 O ARG A 61 3.242 -0.420 7.015 1.00 33.33 O ATOM 1038 CB ARG A 61 1.711 1.307 8.927 1.00 1.20 C ATOM 1039 CG ARG A 61 0.507 2.109 9.466 1.00 11.02 C ATOM 1040 CD ARG A 61 0.196 1.823 10.949 1.00 43.35 C ATOM 1041 NE ARG A 61 -0.237 0.430 11.189 1.00 71.43 N ATOM 1042 CZ ARG A 61 -1.147 0.037 12.109 1.00 32.54 C ATOM 1043 NH1 ARG A 61 -1.757 0.926 12.903 1.00 31.25 N ATOM 1044 NH2 ARG A 61 -1.440 -1.251 12.233 1.00 51.34 N ATOM 0 H ARG A 61 0.498 0.459 6.782 1.00 12.44 H new ATOM 0 HA ARG A 61 2.334 2.699 7.421 1.00 1.13 H new ATOM 0 HB2 ARG A 61 1.490 0.243 9.005 1.00 1.20 H new ATOM 0 HB3 ARG A 61 2.576 1.500 9.561 1.00 1.20 H new ATOM 0 HG2 ARG A 61 0.704 3.174 9.343 1.00 11.02 H new ATOM 0 HG3 ARG A 61 -0.373 1.876 8.866 1.00 11.02 H new ATOM 0 HD2 ARG A 61 1.083 2.030 11.547 1.00 43.35 H new ATOM 0 HD3 ARG A 61 -0.584 2.504 11.289 1.00 43.35 H new ATOM 0 HE ARG A 61 0.187 -0.296 10.612 1.00 71.43 H new ATOM 0 HH11 ARG A 61 -1.538 1.919 12.820 1.00 31.25 H new ATOM 0 HH12 ARG A 61 -2.441 0.610 13.591 1.00 31.25 H new ATOM 0 HH21 ARG A 61 -0.980 -1.938 11.636 1.00 51.34 H new ATOM 0 HH22 ARG A 61 -2.125 -1.554 12.925 1.00 51.34 H new ATOM 1058 N VAL A 62 4.318 1.497 6.481 1.00 42.21 N ATOM 1059 CA VAL A 62 5.530 0.847 5.958 1.00 44.13 C ATOM 1060 C VAL A 62 6.545 0.735 7.105 1.00 4.04 C ATOM 1061 O VAL A 62 6.832 1.724 7.797 1.00 70.43 O ATOM 1062 CB VAL A 62 6.134 1.633 4.722 1.00 73.31 C ATOM 1063 CG1 VAL A 62 6.329 3.122 5.020 1.00 41.32 C ATOM 1064 CG2 VAL A 62 7.468 1.025 4.241 1.00 75.44 C ATOM 0 H VAL A 62 4.346 2.516 6.435 1.00 42.21 H new ATOM 0 HA VAL A 62 5.279 -0.147 5.588 1.00 44.13 H new ATOM 0 HB VAL A 62 5.399 1.534 3.924 1.00 73.31 H new ATOM 0 HG11 VAL A 62 6.745 3.617 4.143 1.00 41.32 H new ATOM 0 HG12 VAL A 62 5.368 3.572 5.269 1.00 41.32 H new ATOM 0 HG13 VAL A 62 7.013 3.238 5.861 1.00 41.32 H new ATOM 0 HG21 VAL A 62 7.844 1.597 3.393 1.00 75.44 H new ATOM 0 HG22 VAL A 62 8.196 1.058 5.052 1.00 75.44 H new ATOM 0 HG23 VAL A 62 7.308 -0.010 3.939 1.00 75.44 H new ATOM 1074 N LYS A 63 7.042 -0.491 7.329 1.00 73.10 N ATOM 1075 CA LYS A 63 7.977 -0.785 8.412 1.00 2.21 C ATOM 1076 C LYS A 63 9.392 -0.404 7.967 1.00 22.14 C ATOM 1077 O LYS A 63 9.982 -1.066 7.101 1.00 1.22 O ATOM 1078 CB LYS A 63 7.930 -2.279 8.783 1.00 22.20 C ATOM 1079 CG LYS A 63 8.828 -2.658 10.000 1.00 52.33 C ATOM 1080 CD LYS A 63 9.145 -4.165 10.080 1.00 22.25 C ATOM 1081 CE LYS A 63 9.923 -4.669 8.845 1.00 32.32 C ATOM 1082 NZ LYS A 63 11.203 -3.948 8.656 1.00 51.14 N ATOM 0 H LYS A 63 6.803 -1.304 6.761 1.00 73.10 H new ATOM 0 HA LYS A 63 7.695 -0.207 9.292 1.00 2.21 H new ATOM 0 HB2 LYS A 63 6.899 -2.556 9.005 1.00 22.20 H new ATOM 0 HB3 LYS A 63 8.239 -2.867 7.919 1.00 22.20 H new ATOM 0 HG2 LYS A 63 9.763 -2.100 9.940 1.00 52.33 H new ATOM 0 HG3 LYS A 63 8.331 -2.349 10.919 1.00 52.33 H new ATOM 0 HD2 LYS A 63 9.728 -4.364 10.979 1.00 22.25 H new ATOM 0 HD3 LYS A 63 8.214 -4.725 10.173 1.00 22.25 H new ATOM 0 HE2 LYS A 63 10.121 -5.735 8.953 1.00 32.32 H new ATOM 0 HE3 LYS A 63 9.305 -4.548 7.955 1.00 32.32 H new ATOM 0 HZ1 LYS A 63 11.729 -4.376 7.867 1.00 51.14 H new ATOM 0 HZ2 LYS A 63 11.010 -2.949 8.442 1.00 51.14 H new ATOM 0 HZ3 LYS A 63 11.770 -4.013 9.526 1.00 51.14 H new ATOM 1096 N HIS A 64 9.909 0.663 8.568 1.00 21.53 N ATOM 1097 CA HIS A 64 11.229 1.210 8.270 1.00 35.31 C ATOM 1098 C HIS A 64 12.275 0.475 9.109 1.00 52.12 C ATOM 1099 O HIS A 64 12.323 0.626 10.332 1.00 14.25 O ATOM 1100 CB HIS A 64 11.209 2.734 8.538 1.00 20.42 C ATOM 1101 CG HIS A 64 10.416 3.516 7.509 1.00 51.32 C ATOM 1102 ND1 HIS A 64 10.444 4.882 7.422 1.00 63.30 N ATOM 1103 CD2 HIS A 64 9.671 3.104 6.460 1.00 40.03 C ATOM 1104 CE1 HIS A 64 9.754 5.272 6.375 1.00 2.15 C ATOM 1105 NE2 HIS A 64 9.278 4.213 5.765 1.00 63.32 N ATOM 0 H HIS A 64 9.412 1.183 9.291 1.00 21.53 H new ATOM 0 HA HIS A 64 11.493 1.064 7.223 1.00 35.31 H new ATOM 0 HB2 HIS A 64 10.787 2.916 9.526 1.00 20.42 H new ATOM 0 HB3 HIS A 64 12.233 3.106 8.556 1.00 20.42 H new ATOM 0 HD1 HIS A 64 10.927 5.502 8.072 1.00 63.30 H new ATOM 0 HD2 HIS A 64 9.429 2.080 6.214 1.00 40.03 H new ATOM 0 HE1 HIS A 64 9.603 6.296 6.067 1.00 2.15 H new ATOM 1114 N SER A 65 13.071 -0.354 8.425 1.00 50.34 N ATOM 1115 CA SER A 65 13.995 -1.311 9.047 1.00 23.42 C ATOM 1116 C SER A 65 15.254 -0.634 9.631 1.00 15.45 C ATOM 1117 O SER A 65 15.865 -1.164 10.566 1.00 52.42 O ATOM 1118 CB SER A 65 14.399 -2.359 7.989 1.00 11.40 C ATOM 1119 OG SER A 65 13.259 -2.895 7.333 1.00 63.44 O ATOM 0 H SER A 65 13.092 -0.380 7.406 1.00 50.34 H new ATOM 0 HA SER A 65 13.481 -1.782 9.885 1.00 23.42 H new ATOM 0 HB2 SER A 65 15.062 -1.901 7.255 1.00 11.40 H new ATOM 0 HB3 SER A 65 14.959 -3.164 8.466 1.00 11.40 H new ATOM 0 HG SER A 65 13.545 -3.555 6.667 1.00 63.44 H new ATOM 1125 N ASP A 66 15.629 0.536 9.077 1.00 10.12 N ATOM 1126 CA ASP A 66 16.863 1.255 9.467 1.00 45.13 C ATOM 1127 C ASP A 66 16.630 2.773 9.374 1.00 54.01 C ATOM 1128 O ASP A 66 16.224 3.261 8.321 1.00 61.32 O ATOM 1129 CB ASP A 66 18.038 0.829 8.545 1.00 62.30 C ATOM 1130 CG ASP A 66 19.385 1.460 8.946 1.00 42.25 C ATOM 1131 OD1 ASP A 66 19.704 2.580 8.489 1.00 62.31 O ATOM 1132 OD2 ASP A 66 20.138 0.841 9.729 1.00 63.05 O ATOM 0 H ASP A 66 15.090 1.009 8.351 1.00 10.12 H new ATOM 0 HA ASP A 66 17.119 1.001 10.496 1.00 45.13 H new ATOM 0 HB2 ASP A 66 18.132 -0.257 8.566 1.00 62.30 H new ATOM 0 HB3 ASP A 66 17.805 1.109 7.518 1.00 62.30 H new ATOM 1137 N ALA A 67 16.946 3.500 10.470 1.00 3.03 N ATOM 1138 CA ALA A 67 16.646 4.942 10.627 1.00 65.35 C ATOM 1139 C ALA A 67 17.409 5.851 9.633 1.00 64.21 C ATOM 1140 O ALA A 67 16.928 6.939 9.291 1.00 24.43 O ATOM 1141 CB ALA A 67 16.912 5.376 12.077 1.00 12.32 C ATOM 0 H ALA A 67 17.421 3.098 11.278 1.00 3.03 H new ATOM 0 HA ALA A 67 15.590 5.068 10.389 1.00 65.35 H new ATOM 0 HB1 ALA A 67 16.689 6.437 12.186 1.00 12.32 H new ATOM 0 HB2 ALA A 67 16.277 4.801 12.751 1.00 12.32 H new ATOM 0 HB3 ALA A 67 17.959 5.198 12.324 1.00 12.32 H new ATOM 1147 N ALA A 68 18.594 5.411 9.172 1.00 32.23 N ATOM 1148 CA ALA A 68 19.419 6.188 8.222 1.00 52.23 C ATOM 1149 C ALA A 68 18.971 5.931 6.770 1.00 5.43 C ATOM 1150 O ALA A 68 18.969 6.844 5.937 1.00 43.52 O ATOM 1151 CB ALA A 68 20.907 5.854 8.410 1.00 4.01 C ATOM 0 H ALA A 68 19.005 4.518 9.442 1.00 32.23 H new ATOM 0 HA ALA A 68 19.279 7.249 8.429 1.00 52.23 H new ATOM 0 HB1 ALA A 68 21.502 6.433 7.704 1.00 4.01 H new ATOM 0 HB2 ALA A 68 21.210 6.101 9.428 1.00 4.01 H new ATOM 0 HB3 ALA A 68 21.067 4.791 8.232 1.00 4.01 H new ATOM 1157 N GLU A 69 18.577 4.678 6.486 1.00 62.34 N ATOM 1158 CA GLU A 69 18.146 4.261 5.139 1.00 63.23 C ATOM 1159 C GLU A 69 16.714 4.725 4.821 1.00 15.32 C ATOM 1160 O GLU A 69 16.395 4.966 3.658 1.00 61.20 O ATOM 1161 CB GLU A 69 18.257 2.718 4.972 1.00 23.53 C ATOM 1162 CG GLU A 69 19.696 2.168 5.088 1.00 1.54 C ATOM 1163 CD GLU A 69 20.677 2.817 4.093 1.00 32.13 C ATOM 1164 OE1 GLU A 69 20.692 2.416 2.903 1.00 15.31 O ATOM 1165 OE2 GLU A 69 21.443 3.727 4.488 1.00 24.45 O ATOM 0 H GLU A 69 18.548 3.929 7.178 1.00 62.34 H new ATOM 0 HA GLU A 69 18.818 4.743 4.429 1.00 63.23 H new ATOM 0 HB2 GLU A 69 17.635 2.237 5.727 1.00 23.53 H new ATOM 0 HB3 GLU A 69 17.851 2.439 3.999 1.00 23.53 H new ATOM 0 HG2 GLU A 69 20.059 2.329 6.103 1.00 1.54 H new ATOM 0 HG3 GLU A 69 19.681 1.091 4.922 1.00 1.54 H new ATOM 1172 N GLU A 70 15.873 4.881 5.868 1.00 63.53 N ATOM 1173 CA GLU A 70 14.420 5.095 5.704 1.00 64.02 C ATOM 1174 C GLU A 70 14.055 6.474 5.126 1.00 33.32 C ATOM 1175 O GLU A 70 12.910 6.691 4.738 1.00 3.24 O ATOM 1176 CB GLU A 70 13.666 4.791 7.020 1.00 14.44 C ATOM 1177 CG GLU A 70 14.026 5.632 8.268 1.00 15.34 C ATOM 1178 CD GLU A 70 13.402 7.037 8.318 1.00 4.45 C ATOM 1179 OE1 GLU A 70 12.171 7.136 8.537 1.00 64.51 O ATOM 1180 OE2 GLU A 70 14.127 8.037 8.148 1.00 10.13 O ATOM 0 H GLU A 70 16.180 4.862 6.841 1.00 63.53 H new ATOM 0 HA GLU A 70 14.087 4.382 4.950 1.00 64.02 H new ATOM 0 HB2 GLU A 70 12.599 4.912 6.831 1.00 14.44 H new ATOM 0 HB3 GLU A 70 13.829 3.741 7.265 1.00 14.44 H new ATOM 0 HG2 GLU A 70 13.716 5.083 9.157 1.00 15.34 H new ATOM 0 HG3 GLU A 70 15.110 5.732 8.317 1.00 15.34 H new ATOM 1187 N LYS A 71 15.029 7.398 5.097 1.00 73.41 N ATOM 1188 CA LYS A 71 14.884 8.703 4.416 1.00 71.22 C ATOM 1189 C LYS A 71 14.799 8.473 2.895 1.00 75.23 C ATOM 1190 O LYS A 71 13.874 8.932 2.220 1.00 4.45 O ATOM 1191 CB LYS A 71 16.103 9.610 4.743 1.00 62.35 C ATOM 1192 CG LYS A 71 16.339 9.857 6.250 1.00 5.44 C ATOM 1193 CD LYS A 71 17.581 10.742 6.531 1.00 71.14 C ATOM 1194 CE LYS A 71 18.906 10.105 6.062 1.00 22.11 C ATOM 1195 NZ LYS A 71 20.077 10.997 6.303 1.00 63.02 N ATOM 0 H LYS A 71 15.937 7.266 5.542 1.00 73.41 H new ATOM 0 HA LYS A 71 13.976 9.195 4.764 1.00 71.22 H new ATOM 0 HB2 LYS A 71 16.999 9.158 4.318 1.00 62.35 H new ATOM 0 HB3 LYS A 71 15.966 10.572 4.248 1.00 62.35 H new ATOM 0 HG2 LYS A 71 15.456 10.333 6.677 1.00 5.44 H new ATOM 0 HG3 LYS A 71 16.461 8.899 6.755 1.00 5.44 H new ATOM 0 HD2 LYS A 71 17.453 11.704 6.034 1.00 71.14 H new ATOM 0 HD3 LYS A 71 17.641 10.942 7.601 1.00 71.14 H new ATOM 0 HE2 LYS A 71 19.058 9.160 6.584 1.00 22.11 H new ATOM 0 HE3 LYS A 71 18.840 9.875 4.999 1.00 22.11 H new ATOM 0 HZ1 LYS A 71 20.944 10.528 5.973 1.00 63.02 H new ATOM 0 HZ2 LYS A 71 19.947 11.889 5.784 1.00 63.02 H new ATOM 0 HZ3 LYS A 71 20.158 11.197 7.320 1.00 63.02 H new ATOM 1209 N LYS A 72 15.790 7.717 2.403 1.00 42.34 N ATOM 1210 CA LYS A 72 15.966 7.357 0.985 1.00 13.02 C ATOM 1211 C LYS A 72 14.946 6.274 0.561 1.00 64.31 C ATOM 1212 O LYS A 72 14.492 6.253 -0.584 1.00 22.00 O ATOM 1213 CB LYS A 72 17.431 6.857 0.815 1.00 22.14 C ATOM 1214 CG LYS A 72 17.816 6.287 -0.573 1.00 75.20 C ATOM 1215 CD LYS A 72 19.281 5.758 -0.610 1.00 60.24 C ATOM 1216 CE LYS A 72 19.556 4.678 0.459 1.00 41.04 C ATOM 1217 NZ LYS A 72 20.973 4.215 0.453 1.00 63.44 N ATOM 0 H LYS A 72 16.518 7.324 3.000 1.00 42.34 H new ATOM 0 HA LYS A 72 15.786 8.219 0.342 1.00 13.02 H new ATOM 0 HB2 LYS A 72 18.102 7.686 1.040 1.00 22.14 H new ATOM 0 HB3 LYS A 72 17.616 6.086 1.563 1.00 22.14 H new ATOM 0 HG2 LYS A 72 17.133 5.478 -0.833 1.00 75.20 H new ATOM 0 HG3 LYS A 72 17.693 7.063 -1.329 1.00 75.20 H new ATOM 0 HD2 LYS A 72 19.489 5.346 -1.598 1.00 60.24 H new ATOM 0 HD3 LYS A 72 19.967 6.592 -0.462 1.00 60.24 H new ATOM 0 HE2 LYS A 72 19.312 5.076 1.444 1.00 41.04 H new ATOM 0 HE3 LYS A 72 18.898 3.826 0.287 1.00 41.04 H new ATOM 0 HZ1 LYS A 72 21.121 3.542 1.231 1.00 63.44 H new ATOM 0 HZ2 LYS A 72 21.182 3.749 -0.453 1.00 63.44 H new ATOM 0 HZ3 LYS A 72 21.605 5.031 0.576 1.00 63.44 H new ATOM 1231 N GLU A 73 14.574 5.405 1.522 1.00 62.15 N ATOM 1232 CA GLU A 73 13.648 4.273 1.294 1.00 22.12 C ATOM 1233 C GLU A 73 12.211 4.780 1.142 1.00 23.43 C ATOM 1234 O GLU A 73 11.546 4.412 0.186 1.00 4.53 O ATOM 1235 CB GLU A 73 13.781 3.232 2.448 1.00 73.21 C ATOM 1236 CG GLU A 73 12.744 2.060 2.459 1.00 0.53 C ATOM 1237 CD GLU A 73 11.657 2.201 3.552 1.00 31.22 C ATOM 1238 OE1 GLU A 73 10.603 2.840 3.298 1.00 24.50 O ATOM 1239 OE2 GLU A 73 11.873 1.694 4.683 1.00 63.14 O ATOM 0 H GLU A 73 14.908 5.467 2.484 1.00 62.15 H new ATOM 0 HA GLU A 73 13.914 3.771 0.364 1.00 22.12 H new ATOM 0 HB2 GLU A 73 14.781 2.801 2.404 1.00 73.21 H new ATOM 0 HB3 GLU A 73 13.704 3.764 3.397 1.00 73.21 H new ATOM 0 HG2 GLU A 73 12.261 2.005 1.484 1.00 0.53 H new ATOM 0 HG3 GLU A 73 13.274 1.119 2.606 1.00 0.53 H new ATOM 1246 N ALA A 74 11.759 5.642 2.080 1.00 42.54 N ATOM 1247 CA ALA A 74 10.409 6.255 2.031 1.00 1.45 C ATOM 1248 C ALA A 74 10.251 7.175 0.813 1.00 21.33 C ATOM 1249 O ALA A 74 9.154 7.289 0.245 1.00 73.11 O ATOM 1250 CB ALA A 74 10.141 7.036 3.313 1.00 63.24 C ATOM 0 H ALA A 74 12.313 5.932 2.886 1.00 42.54 H new ATOM 0 HA ALA A 74 9.681 5.449 1.939 1.00 1.45 H new ATOM 0 HB1 ALA A 74 9.147 7.482 3.266 1.00 63.24 H new ATOM 0 HB2 ALA A 74 10.197 6.362 4.168 1.00 63.24 H new ATOM 0 HB3 ALA A 74 10.887 7.823 3.422 1.00 63.24 H new ATOM 1256 N LYS A 75 11.367 7.838 0.452 1.00 21.34 N ATOM 1257 CA LYS A 75 11.466 8.683 -0.745 1.00 73.24 C ATOM 1258 C LYS A 75 11.153 7.838 -1.993 1.00 72.12 C ATOM 1259 O LYS A 75 10.278 8.176 -2.794 1.00 35.45 O ATOM 1260 CB LYS A 75 12.891 9.296 -0.854 1.00 13.52 C ATOM 1261 CG LYS A 75 13.051 10.378 -1.947 1.00 15.44 C ATOM 1262 CD LYS A 75 12.196 11.632 -1.660 1.00 13.01 C ATOM 1263 CE LYS A 75 12.357 12.735 -2.717 1.00 71.02 C ATOM 1264 NZ LYS A 75 11.551 13.934 -2.371 1.00 53.02 N ATOM 0 H LYS A 75 12.232 7.799 0.992 1.00 21.34 H new ATOM 0 HA LYS A 75 10.746 9.498 -0.672 1.00 73.24 H new ATOM 0 HB2 LYS A 75 13.159 9.731 0.109 1.00 13.52 H new ATOM 0 HB3 LYS A 75 13.602 8.494 -1.050 1.00 13.52 H new ATOM 0 HG2 LYS A 75 14.100 10.665 -2.020 1.00 15.44 H new ATOM 0 HG3 LYS A 75 12.767 9.960 -2.913 1.00 15.44 H new ATOM 0 HD2 LYS A 75 11.147 11.342 -1.605 1.00 13.01 H new ATOM 0 HD3 LYS A 75 12.468 12.032 -0.683 1.00 13.01 H new ATOM 0 HE2 LYS A 75 13.408 13.012 -2.800 1.00 71.02 H new ATOM 0 HE3 LYS A 75 12.049 12.356 -3.692 1.00 71.02 H new ATOM 0 HZ1 LYS A 75 11.680 14.662 -3.103 1.00 53.02 H new ATOM 0 HZ2 LYS A 75 10.546 13.673 -2.316 1.00 53.02 H new ATOM 0 HZ3 LYS A 75 11.862 14.308 -1.452 1.00 53.02 H new ATOM 1278 N LYS A 76 11.849 6.694 -2.076 1.00 23.54 N ATOM 1279 CA LYS A 76 11.746 5.738 -3.183 1.00 24.31 C ATOM 1280 C LYS A 76 10.368 5.051 -3.187 1.00 14.32 C ATOM 1281 O LYS A 76 9.750 4.909 -4.239 1.00 53.23 O ATOM 1282 CB LYS A 76 12.883 4.693 -3.033 1.00 70.23 C ATOM 1283 CG LYS A 76 12.959 3.624 -4.148 1.00 53.10 C ATOM 1284 CD LYS A 76 14.162 2.664 -3.963 1.00 61.24 C ATOM 1285 CE LYS A 76 15.525 3.385 -3.960 1.00 53.11 C ATOM 1286 NZ LYS A 76 16.649 2.431 -3.768 1.00 51.34 N ATOM 0 H LYS A 76 12.513 6.404 -1.358 1.00 23.54 H new ATOM 0 HA LYS A 76 11.849 6.262 -4.133 1.00 24.31 H new ATOM 0 HB2 LYS A 76 13.835 5.222 -2.996 1.00 70.23 H new ATOM 0 HB3 LYS A 76 12.762 4.186 -2.076 1.00 70.23 H new ATOM 0 HG2 LYS A 76 12.035 3.046 -4.158 1.00 53.10 H new ATOM 0 HG3 LYS A 76 13.037 4.118 -5.117 1.00 53.10 H new ATOM 0 HD2 LYS A 76 14.044 2.122 -3.025 1.00 61.24 H new ATOM 0 HD3 LYS A 76 14.153 1.923 -4.763 1.00 61.24 H new ATOM 0 HE2 LYS A 76 15.657 3.919 -4.901 1.00 53.11 H new ATOM 0 HE3 LYS A 76 15.541 4.131 -3.166 1.00 53.11 H new ATOM 0 HZ1 LYS A 76 17.550 2.951 -3.771 1.00 51.34 H new ATOM 0 HZ2 LYS A 76 16.536 1.940 -2.858 1.00 51.34 H new ATOM 0 HZ3 LYS A 76 16.649 1.734 -4.540 1.00 51.34 H new ATOM 1300 N PHE A 77 9.873 4.722 -1.975 1.00 72.24 N ATOM 1301 CA PHE A 77 8.658 3.902 -1.764 1.00 71.33 C ATOM 1302 C PHE A 77 7.399 4.736 -2.064 1.00 70.24 C ATOM 1303 O PHE A 77 6.339 4.184 -2.353 1.00 21.21 O ATOM 1304 CB PHE A 77 8.644 3.341 -0.309 1.00 11.03 C ATOM 1305 CG PHE A 77 7.587 2.266 -0.021 1.00 41.51 C ATOM 1306 CD1 PHE A 77 7.728 0.968 -0.531 1.00 61.33 C ATOM 1307 CD2 PHE A 77 6.462 2.540 0.763 1.00 74.43 C ATOM 1308 CE1 PHE A 77 6.781 -0.006 -0.269 1.00 41.22 C ATOM 1309 CE2 PHE A 77 5.518 1.559 1.022 1.00 12.13 C ATOM 1310 CZ PHE A 77 5.675 0.289 0.506 1.00 53.00 C ATOM 0 H PHE A 77 10.310 5.022 -1.104 1.00 72.24 H new ATOM 0 HA PHE A 77 8.665 3.055 -2.450 1.00 71.33 H new ATOM 0 HB2 PHE A 77 9.628 2.925 -0.090 1.00 11.03 H new ATOM 0 HB3 PHE A 77 8.488 4.171 0.380 1.00 11.03 H new ATOM 0 HD1 PHE A 77 8.588 0.725 -1.137 1.00 61.33 H new ATOM 0 HD2 PHE A 77 6.327 3.530 1.172 1.00 74.43 H new ATOM 0 HE1 PHE A 77 6.906 -1.000 -0.671 1.00 41.22 H new ATOM 0 HE2 PHE A 77 4.656 1.790 1.630 1.00 12.13 H new ATOM 0 HZ PHE A 77 4.936 -0.472 0.707 1.00 53.00 H new ATOM 1320 N ALA A 78 7.545 6.071 -1.988 1.00 43.51 N ATOM 1321 CA ALA A 78 6.505 7.024 -2.395 1.00 34.22 C ATOM 1322 C ALA A 78 6.283 6.966 -3.911 1.00 24.41 C ATOM 1323 O ALA A 78 5.140 6.966 -4.380 1.00 21.53 O ATOM 1324 CB ALA A 78 6.896 8.434 -1.954 1.00 52.54 C ATOM 0 H ALA A 78 8.393 6.518 -1.640 1.00 43.51 H new ATOM 0 HA ALA A 78 5.567 6.754 -1.911 1.00 34.22 H new ATOM 0 HB1 ALA A 78 6.122 9.138 -2.258 1.00 52.54 H new ATOM 0 HB2 ALA A 78 7.004 8.459 -0.870 1.00 52.54 H new ATOM 0 HB3 ALA A 78 7.842 8.712 -2.419 1.00 52.54 H new ATOM 1330 N ALA A 79 7.399 6.906 -4.662 1.00 62.31 N ATOM 1331 CA ALA A 79 7.382 6.758 -6.123 1.00 63.32 C ATOM 1332 C ALA A 79 6.811 5.382 -6.527 1.00 32.23 C ATOM 1333 O ALA A 79 6.088 5.267 -7.526 1.00 74.33 O ATOM 1334 CB ALA A 79 8.797 6.953 -6.687 1.00 32.10 C ATOM 0 H ALA A 79 8.338 6.959 -4.268 1.00 62.31 H new ATOM 0 HA ALA A 79 6.732 7.524 -6.545 1.00 63.32 H new ATOM 0 HB1 ALA A 79 8.775 6.842 -7.771 1.00 32.10 H new ATOM 0 HB2 ALA A 79 9.156 7.950 -6.432 1.00 32.10 H new ATOM 0 HB3 ALA A 79 9.465 6.206 -6.259 1.00 32.10 H new ATOM 1340 N ILE A 80 7.149 4.348 -5.727 1.00 42.22 N ATOM 1341 CA ILE A 80 6.661 2.969 -5.915 1.00 64.13 C ATOM 1342 C ILE A 80 5.125 2.921 -5.758 1.00 71.02 C ATOM 1343 O ILE A 80 4.426 2.400 -6.632 1.00 72.34 O ATOM 1344 CB ILE A 80 7.370 1.979 -4.902 1.00 70.12 C ATOM 1345 CG1 ILE A 80 8.919 1.995 -5.098 1.00 2.23 C ATOM 1346 CG2 ILE A 80 6.840 0.535 -5.011 1.00 3.32 C ATOM 1347 CD1 ILE A 80 9.390 1.696 -6.507 1.00 72.40 C ATOM 0 H ILE A 80 7.773 4.450 -4.927 1.00 42.22 H new ATOM 0 HA ILE A 80 6.912 2.645 -6.925 1.00 64.13 H new ATOM 0 HB ILE A 80 7.130 2.339 -3.902 1.00 70.12 H new ATOM 0 HG12 ILE A 80 9.297 2.974 -4.805 1.00 2.23 H new ATOM 0 HG13 ILE A 80 9.363 1.266 -4.420 1.00 2.23 H new ATOM 0 HG21 ILE A 80 7.361 -0.099 -4.294 1.00 3.32 H new ATOM 0 HG22 ILE A 80 5.771 0.522 -4.797 1.00 3.32 H new ATOM 0 HG23 ILE A 80 7.012 0.159 -6.020 1.00 3.32 H new ATOM 0 HD11 ILE A 80 10.479 1.730 -6.542 1.00 72.40 H new ATOM 0 HD12 ILE A 80 9.049 0.704 -6.802 1.00 72.40 H new ATOM 0 HD13 ILE A 80 8.982 2.439 -7.192 1.00 72.40 H new ATOM 1359 N LEU A 81 4.622 3.551 -4.675 1.00 2.11 N ATOM 1360 CA LEU A 81 3.181 3.611 -4.358 1.00 64.41 C ATOM 1361 C LEU A 81 2.408 4.465 -5.385 1.00 21.33 C ATOM 1362 O LEU A 81 1.256 4.159 -5.694 1.00 74.01 O ATOM 1363 CB LEU A 81 2.959 4.174 -2.919 1.00 71.13 C ATOM 1364 CG LEU A 81 3.235 3.193 -1.734 1.00 23.20 C ATOM 1365 CD1 LEU A 81 3.047 3.904 -0.380 1.00 72.22 C ATOM 1366 CD2 LEU A 81 2.342 1.936 -1.817 1.00 64.41 C ATOM 0 H LEU A 81 5.208 4.034 -3.994 1.00 2.11 H new ATOM 0 HA LEU A 81 2.793 2.593 -4.407 1.00 64.41 H new ATOM 0 HB2 LEU A 81 3.597 5.049 -2.793 1.00 71.13 H new ATOM 0 HB3 LEU A 81 1.928 4.518 -2.843 1.00 71.13 H new ATOM 0 HG LEU A 81 4.272 2.868 -1.813 1.00 23.20 H new ATOM 0 HD11 LEU A 81 3.244 3.202 0.430 1.00 72.22 H new ATOM 0 HD12 LEU A 81 3.740 4.743 -0.310 1.00 72.22 H new ATOM 0 HD13 LEU A 81 2.024 4.271 -0.301 1.00 72.22 H new ATOM 0 HD21 LEU A 81 2.562 1.277 -0.977 1.00 64.41 H new ATOM 0 HD22 LEU A 81 1.293 2.232 -1.782 1.00 64.41 H new ATOM 0 HD23 LEU A 81 2.539 1.411 -2.751 1.00 64.41 H new ATOM 1378 N ASN A 82 3.063 5.526 -5.912 1.00 64.04 N ATOM 1379 CA ASN A 82 2.444 6.453 -6.892 1.00 74.42 C ATOM 1380 C ASN A 82 2.039 5.686 -8.166 1.00 55.44 C ATOM 1381 O ASN A 82 0.963 5.916 -8.723 1.00 14.20 O ATOM 1382 CB ASN A 82 3.414 7.614 -7.251 1.00 24.44 C ATOM 1383 CG ASN A 82 2.783 8.678 -8.172 1.00 30.33 C ATOM 1384 OD1 ASN A 82 1.592 8.985 -8.071 1.00 52.43 O ATOM 1385 ND2 ASN A 82 3.557 9.220 -9.099 1.00 34.12 N ATOM 0 H ASN A 82 4.026 5.763 -5.674 1.00 64.04 H new ATOM 0 HA ASN A 82 1.552 6.883 -6.437 1.00 74.42 H new ATOM 0 HB2 ASN A 82 3.750 8.094 -6.332 1.00 24.44 H new ATOM 0 HB3 ASN A 82 4.298 7.202 -7.737 1.00 24.44 H new ATOM 0 HD21 ASN A 82 3.172 9.906 -9.748 1.00 34.12 H new ATOM 0 HD22 ASN A 82 4.539 8.952 -9.164 1.00 34.12 H new ATOM 1392 N LYS A 83 2.921 4.760 -8.596 1.00 50.41 N ATOM 1393 CA LYS A 83 2.670 3.874 -9.748 1.00 45.50 C ATOM 1394 C LYS A 83 1.497 2.924 -9.465 1.00 43.05 C ATOM 1395 O LYS A 83 0.594 2.787 -10.283 1.00 22.45 O ATOM 1396 CB LYS A 83 3.940 3.047 -10.089 1.00 61.14 C ATOM 1397 CG LYS A 83 5.140 3.872 -10.613 1.00 32.10 C ATOM 1398 CD LYS A 83 4.849 4.565 -11.966 1.00 53.40 C ATOM 1399 CE LYS A 83 6.079 5.294 -12.541 1.00 65.24 C ATOM 1400 NZ LYS A 83 6.562 6.378 -11.649 1.00 43.21 N ATOM 0 H LYS A 83 3.827 4.607 -8.153 1.00 50.41 H new ATOM 0 HA LYS A 83 2.414 4.503 -10.601 1.00 45.50 H new ATOM 0 HB2 LYS A 83 4.253 2.506 -9.196 1.00 61.14 H new ATOM 0 HB3 LYS A 83 3.678 2.300 -10.838 1.00 61.14 H new ATOM 0 HG2 LYS A 83 5.406 4.627 -9.873 1.00 32.10 H new ATOM 0 HG3 LYS A 83 6.004 3.217 -10.724 1.00 32.10 H new ATOM 0 HD2 LYS A 83 4.505 3.820 -12.684 1.00 53.40 H new ATOM 0 HD3 LYS A 83 4.037 5.280 -11.835 1.00 53.40 H new ATOM 0 HE2 LYS A 83 6.882 4.575 -12.702 1.00 65.24 H new ATOM 0 HE3 LYS A 83 5.827 5.714 -13.515 1.00 65.24 H new ATOM 0 HZ1 LYS A 83 7.358 6.871 -12.102 1.00 43.21 H new ATOM 0 HZ2 LYS A 83 5.791 7.053 -11.474 1.00 43.21 H new ATOM 0 HZ3 LYS A 83 6.876 5.970 -10.746 1.00 43.21 H new ATOM 1414 N VAL A 84 1.501 2.334 -8.256 1.00 20.25 N ATOM 1415 CA VAL A 84 0.554 1.278 -7.869 1.00 15.34 C ATOM 1416 C VAL A 84 -0.884 1.834 -7.838 1.00 31.40 C ATOM 1417 O VAL A 84 -1.726 1.400 -8.622 1.00 41.23 O ATOM 1418 CB VAL A 84 0.955 0.657 -6.472 1.00 51.03 C ATOM 1419 CG1 VAL A 84 -0.093 -0.360 -5.958 1.00 74.44 C ATOM 1420 CG2 VAL A 84 2.357 0.003 -6.554 1.00 54.32 C ATOM 0 H VAL A 84 2.163 2.578 -7.520 1.00 20.25 H new ATOM 0 HA VAL A 84 0.594 0.482 -8.613 1.00 15.34 H new ATOM 0 HB VAL A 84 0.986 1.474 -5.752 1.00 51.03 H new ATOM 0 HG11 VAL A 84 0.228 -0.758 -4.996 1.00 74.44 H new ATOM 0 HG12 VAL A 84 -1.056 0.137 -5.842 1.00 74.44 H new ATOM 0 HG13 VAL A 84 -0.190 -1.176 -6.674 1.00 74.44 H new ATOM 0 HG21 VAL A 84 2.618 -0.420 -5.584 1.00 54.32 H new ATOM 0 HG22 VAL A 84 2.346 -0.788 -7.304 1.00 54.32 H new ATOM 0 HG23 VAL A 84 3.094 0.756 -6.832 1.00 54.32 H new ATOM 1430 N PHE A 85 -1.099 2.855 -6.985 1.00 44.41 N ATOM 1431 CA PHE A 85 -2.416 3.491 -6.768 1.00 63.14 C ATOM 1432 C PHE A 85 -3.016 4.057 -8.072 1.00 3.43 C ATOM 1433 O PHE A 85 -4.206 3.860 -8.341 1.00 22.33 O ATOM 1434 CB PHE A 85 -2.308 4.598 -5.681 1.00 42.51 C ATOM 1435 CG PHE A 85 -1.974 4.059 -4.285 1.00 44.33 C ATOM 1436 CD1 PHE A 85 -2.723 3.017 -3.725 1.00 61.24 C ATOM 1437 CD2 PHE A 85 -0.928 4.590 -3.532 1.00 40.24 C ATOM 1438 CE1 PHE A 85 -2.425 2.528 -2.467 1.00 64.35 C ATOM 1439 CE2 PHE A 85 -0.635 4.098 -2.279 1.00 5.22 C ATOM 1440 CZ PHE A 85 -1.381 3.069 -1.748 1.00 24.50 C ATOM 0 H PHE A 85 -0.356 3.267 -6.421 1.00 44.41 H new ATOM 0 HA PHE A 85 -3.098 2.716 -6.418 1.00 63.14 H new ATOM 0 HB2 PHE A 85 -1.541 5.313 -5.978 1.00 42.51 H new ATOM 0 HB3 PHE A 85 -3.251 5.143 -5.635 1.00 42.51 H new ATOM 0 HD1 PHE A 85 -3.543 2.590 -4.283 1.00 61.24 H new ATOM 0 HD2 PHE A 85 -0.338 5.399 -3.937 1.00 40.24 H new ATOM 0 HE1 PHE A 85 -3.010 1.723 -2.048 1.00 64.35 H new ATOM 0 HE2 PHE A 85 0.181 4.520 -1.712 1.00 5.22 H new ATOM 0 HZ PHE A 85 -1.147 2.685 -0.766 1.00 24.50 H new ATOM 1450 N ALA A 86 -2.166 4.717 -8.891 1.00 55.01 N ATOM 1451 CA ALA A 86 -2.580 5.307 -10.184 1.00 2.30 C ATOM 1452 C ALA A 86 -3.063 4.221 -11.167 1.00 23.51 C ATOM 1453 O ALA A 86 -3.988 4.447 -11.952 1.00 4.23 O ATOM 1454 CB ALA A 86 -1.428 6.112 -10.801 1.00 34.25 C ATOM 0 H ALA A 86 -1.179 4.855 -8.676 1.00 55.01 H new ATOM 0 HA ALA A 86 -3.415 5.980 -9.991 1.00 2.30 H new ATOM 0 HB1 ALA A 86 -1.750 6.539 -11.751 1.00 34.25 H new ATOM 0 HB2 ALA A 86 -1.140 6.915 -10.122 1.00 34.25 H new ATOM 0 HB3 ALA A 86 -0.574 5.455 -10.969 1.00 34.25 H new ATOM 1460 N GLU A 87 -2.426 3.040 -11.089 1.00 33.33 N ATOM 1461 CA GLU A 87 -2.736 1.874 -11.944 1.00 33.05 C ATOM 1462 C GLU A 87 -3.834 0.980 -11.316 1.00 50.41 C ATOM 1463 O GLU A 87 -4.182 -0.064 -11.875 1.00 70.14 O ATOM 1464 CB GLU A 87 -1.429 1.081 -12.238 1.00 61.20 C ATOM 1465 CG GLU A 87 -0.432 1.863 -13.126 1.00 33.22 C ATOM 1466 CD GLU A 87 0.881 1.120 -13.379 1.00 21.21 C ATOM 1467 OE1 GLU A 87 0.935 0.269 -14.298 1.00 23.14 O ATOM 1468 OE2 GLU A 87 1.866 1.355 -12.650 1.00 23.22 O ATOM 0 H GLU A 87 -1.673 2.863 -10.424 1.00 33.33 H new ATOM 0 HA GLU A 87 -3.142 2.229 -12.891 1.00 33.05 H new ATOM 0 HB2 GLU A 87 -0.945 0.827 -11.295 1.00 61.20 H new ATOM 0 HB3 GLU A 87 -1.684 0.141 -12.728 1.00 61.20 H new ATOM 0 HG2 GLU A 87 -0.906 2.081 -14.083 1.00 33.22 H new ATOM 0 HG3 GLU A 87 -0.212 2.820 -12.654 1.00 33.22 H new ATOM 1475 N LEU A 88 -4.353 1.384 -10.136 1.00 53.43 N ATOM 1476 CA LEU A 88 -5.485 0.692 -9.464 1.00 14.11 C ATOM 1477 C LEU A 88 -6.782 1.517 -9.591 1.00 62.34 C ATOM 1478 O LEU A 88 -7.885 0.960 -9.557 1.00 42.43 O ATOM 1479 CB LEU A 88 -5.171 0.406 -7.963 1.00 74.34 C ATOM 1480 CG LEU A 88 -3.961 -0.541 -7.659 1.00 40.12 C ATOM 1481 CD1 LEU A 88 -3.911 -0.923 -6.169 1.00 21.23 C ATOM 1482 CD2 LEU A 88 -3.951 -1.794 -8.560 1.00 64.40 C ATOM 0 H LEU A 88 -4.005 2.193 -9.622 1.00 53.43 H new ATOM 0 HA LEU A 88 -5.627 -0.265 -9.966 1.00 14.11 H new ATOM 0 HB2 LEU A 88 -4.988 1.359 -7.467 1.00 74.34 H new ATOM 0 HB3 LEU A 88 -6.062 -0.025 -7.506 1.00 74.34 H new ATOM 0 HG LEU A 88 -3.057 0.021 -7.894 1.00 40.12 H new ATOM 0 HD11 LEU A 88 -3.060 -1.581 -5.990 1.00 21.23 H new ATOM 0 HD12 LEU A 88 -3.806 -0.021 -5.566 1.00 21.23 H new ATOM 0 HD13 LEU A 88 -4.832 -1.438 -5.894 1.00 21.23 H new ATOM 0 HD21 LEU A 88 -3.092 -2.416 -8.308 1.00 64.40 H new ATOM 0 HD22 LEU A 88 -4.869 -2.361 -8.404 1.00 64.40 H new ATOM 0 HD23 LEU A 88 -3.885 -1.490 -9.605 1.00 64.40 H new ATOM 1494 N GLY A 89 -6.641 2.846 -9.745 1.00 62.30 N ATOM 1495 CA GLY A 89 -7.788 3.761 -9.863 1.00 14.40 C ATOM 1496 C GLY A 89 -7.765 4.880 -8.830 1.00 62.14 C ATOM 1497 O GLY A 89 -8.567 5.817 -8.918 1.00 11.11 O ATOM 0 H GLY A 89 -5.735 3.312 -9.791 1.00 62.30 H new ATOM 0 HA2 GLY A 89 -7.797 4.196 -10.862 1.00 14.40 H new ATOM 0 HA3 GLY A 89 -8.712 3.193 -9.755 1.00 14.40 H new ATOM 1501 N TYR A 90 -6.858 4.781 -7.842 1.00 22.52 N ATOM 1502 CA TYR A 90 -6.683 5.819 -6.815 1.00 22.13 C ATOM 1503 C TYR A 90 -5.854 6.989 -7.383 1.00 21.40 C ATOM 1504 O TYR A 90 -4.763 6.784 -7.927 1.00 62.23 O ATOM 1505 CB TYR A 90 -5.998 5.236 -5.552 1.00 3.01 C ATOM 1506 CG TYR A 90 -6.772 4.083 -4.895 1.00 3.01 C ATOM 1507 CD1 TYR A 90 -7.989 4.317 -4.249 1.00 12.24 C ATOM 1508 CD2 TYR A 90 -6.293 2.765 -4.933 1.00 30.43 C ATOM 1509 CE1 TYR A 90 -8.701 3.285 -3.668 1.00 12.32 C ATOM 1510 CE2 TYR A 90 -7.005 1.730 -4.356 1.00 23.54 C ATOM 1511 CZ TYR A 90 -8.208 1.996 -3.724 1.00 63.14 C ATOM 1512 OH TYR A 90 -8.928 0.968 -3.164 1.00 71.24 O ATOM 0 H TYR A 90 -6.230 3.984 -7.735 1.00 22.52 H new ATOM 0 HA TYR A 90 -7.667 6.189 -6.527 1.00 22.13 H new ATOM 0 HB2 TYR A 90 -5.002 4.884 -5.822 1.00 3.01 H new ATOM 0 HB3 TYR A 90 -5.867 6.034 -4.821 1.00 3.01 H new ATOM 0 HD1 TYR A 90 -8.380 5.323 -4.203 1.00 12.24 H new ATOM 0 HD2 TYR A 90 -5.353 2.555 -5.421 1.00 30.43 H new ATOM 0 HE1 TYR A 90 -9.639 3.486 -3.172 1.00 12.32 H new ATOM 0 HE2 TYR A 90 -6.625 0.720 -4.398 1.00 23.54 H new ATOM 0 HH TYR A 90 -8.445 0.124 -3.289 1.00 71.24 H new ATOM 1522 N ASN A 91 -6.388 8.209 -7.245 1.00 12.44 N ATOM 1523 CA ASN A 91 -5.748 9.445 -7.734 1.00 72.44 C ATOM 1524 C ASN A 91 -4.736 9.960 -6.690 1.00 14.44 C ATOM 1525 O ASN A 91 -4.679 9.447 -5.563 1.00 14.22 O ATOM 1526 CB ASN A 91 -6.836 10.525 -8.032 1.00 3.43 C ATOM 1527 CG ASN A 91 -7.775 10.214 -9.218 1.00 4.04 C ATOM 1528 OD1 ASN A 91 -8.252 11.126 -9.899 1.00 54.33 O ATOM 1529 ND2 ASN A 91 -8.082 8.948 -9.469 1.00 23.21 N ATOM 0 H ASN A 91 -7.285 8.372 -6.787 1.00 12.44 H new ATOM 0 HA ASN A 91 -5.211 9.233 -8.659 1.00 72.44 H new ATOM 0 HB2 ASN A 91 -7.443 10.661 -7.137 1.00 3.43 H new ATOM 0 HB3 ASN A 91 -6.337 11.474 -8.226 1.00 3.43 H new ATOM 0 HD21 ASN A 91 -8.719 8.719 -10.232 1.00 23.21 H new ATOM 0 HD22 ASN A 91 -7.681 8.203 -8.899 1.00 23.21 H new ATOM 1536 N ASP A 92 -3.944 10.975 -7.084 1.00 41.41 N ATOM 1537 CA ASP A 92 -2.933 11.623 -6.216 1.00 42.41 C ATOM 1538 C ASP A 92 -3.564 12.176 -4.924 1.00 54.14 C ATOM 1539 O ASP A 92 -2.998 12.027 -3.839 1.00 11.53 O ATOM 1540 CB ASP A 92 -2.234 12.762 -7.012 1.00 31.15 C ATOM 1541 CG ASP A 92 -1.076 13.438 -6.239 1.00 42.41 C ATOM 1542 OD1 ASP A 92 0.053 12.913 -6.275 1.00 74.35 O ATOM 1543 OD2 ASP A 92 -1.292 14.493 -5.594 1.00 73.32 O ATOM 0 H ASP A 92 -3.986 11.375 -8.022 1.00 41.41 H new ATOM 0 HA ASP A 92 -2.198 10.875 -5.920 1.00 42.41 H new ATOM 0 HB2 ASP A 92 -1.847 12.356 -7.947 1.00 31.15 H new ATOM 0 HB3 ASP A 92 -2.974 13.518 -7.275 1.00 31.15 H new ATOM 1548 N SER A 93 -4.745 12.810 -5.076 1.00 51.43 N ATOM 1549 CA SER A 93 -5.526 13.390 -3.966 1.00 54.34 C ATOM 1550 C SER A 93 -5.862 12.359 -2.861 1.00 30.44 C ATOM 1551 O SER A 93 -5.951 12.721 -1.682 1.00 53.14 O ATOM 1552 CB SER A 93 -6.823 14.019 -4.527 1.00 22.22 C ATOM 1553 OG SER A 93 -7.570 14.690 -3.523 1.00 2.51 O ATOM 0 H SER A 93 -5.188 12.935 -5.986 1.00 51.43 H new ATOM 0 HA SER A 93 -4.908 14.155 -3.496 1.00 54.34 H new ATOM 0 HB2 SER A 93 -6.570 14.722 -5.321 1.00 22.22 H new ATOM 0 HB3 SER A 93 -7.439 13.239 -4.976 1.00 22.22 H new ATOM 0 HG SER A 93 -8.380 15.074 -3.919 1.00 2.51 H new ATOM 1559 N ASN A 94 -6.037 11.076 -3.246 1.00 51.21 N ATOM 1560 CA ASN A 94 -6.351 9.990 -2.289 1.00 52.34 C ATOM 1561 C ASN A 94 -5.189 9.745 -1.305 1.00 11.43 C ATOM 1562 O ASN A 94 -5.419 9.425 -0.139 1.00 44.23 O ATOM 1563 CB ASN A 94 -6.702 8.673 -3.037 1.00 52.21 C ATOM 1564 CG ASN A 94 -7.986 8.747 -3.876 1.00 60.22 C ATOM 1565 OD1 ASN A 94 -8.110 8.090 -4.909 1.00 71.32 O ATOM 1566 ND2 ASN A 94 -8.972 9.518 -3.432 1.00 71.33 N ATOM 0 H ASN A 94 -5.966 10.766 -4.215 1.00 51.21 H new ATOM 0 HA ASN A 94 -7.220 10.310 -1.714 1.00 52.34 H new ATOM 0 HB2 ASN A 94 -5.870 8.406 -3.689 1.00 52.21 H new ATOM 0 HB3 ASN A 94 -6.805 7.870 -2.307 1.00 52.21 H new ATOM 0 HD21 ASN A 94 -9.849 9.572 -3.949 1.00 71.33 H new ATOM 0 HD22 ASN A 94 -8.852 10.056 -2.574 1.00 71.33 H new ATOM 1573 N VAL A 95 -3.957 9.961 -1.783 1.00 62.41 N ATOM 1574 CA VAL A 95 -2.721 9.629 -1.055 1.00 1.11 C ATOM 1575 C VAL A 95 -2.281 10.820 -0.164 1.00 34.41 C ATOM 1576 O VAL A 95 -2.217 11.957 -0.647 1.00 54.43 O ATOM 1577 CB VAL A 95 -1.588 9.276 -2.095 1.00 34.21 C ATOM 1578 CG1 VAL A 95 -0.261 8.895 -1.403 1.00 43.51 C ATOM 1579 CG2 VAL A 95 -2.055 8.162 -3.071 1.00 70.22 C ATOM 0 H VAL A 95 -3.786 10.377 -2.699 1.00 62.41 H new ATOM 0 HA VAL A 95 -2.902 8.770 -0.409 1.00 1.11 H new ATOM 0 HB VAL A 95 -1.394 10.177 -2.677 1.00 34.21 H new ATOM 0 HG11 VAL A 95 0.489 8.660 -2.158 1.00 43.51 H new ATOM 0 HG12 VAL A 95 0.085 9.731 -0.795 1.00 43.51 H new ATOM 0 HG13 VAL A 95 -0.420 8.025 -0.766 1.00 43.51 H new ATOM 0 HG21 VAL A 95 -1.255 7.938 -3.777 1.00 70.22 H new ATOM 0 HG22 VAL A 95 -2.302 7.263 -2.506 1.00 70.22 H new ATOM 0 HG23 VAL A 95 -2.936 8.502 -3.616 1.00 70.22 H new ATOM 1589 N THR A 96 -2.048 10.561 1.146 1.00 54.10 N ATOM 1590 CA THR A 96 -1.471 11.553 2.086 1.00 22.24 C ATOM 1591 C THR A 96 -0.532 10.862 3.099 1.00 74.45 C ATOM 1592 O THR A 96 -0.959 9.957 3.819 1.00 23.02 O ATOM 1593 CB THR A 96 -2.594 12.321 2.863 1.00 34.34 C ATOM 1594 OG1 THR A 96 -3.492 12.951 1.931 1.00 33.05 O ATOM 1595 CG2 THR A 96 -2.019 13.392 3.817 1.00 34.40 C ATOM 0 H THR A 96 -2.254 9.661 1.580 1.00 54.10 H new ATOM 0 HA THR A 96 -0.902 12.269 1.493 1.00 22.24 H new ATOM 0 HB THR A 96 -3.127 11.586 3.466 1.00 34.34 H new ATOM 0 HG1 THR A 96 -4.192 13.428 2.423 1.00 33.05 H new ATOM 0 HG21 THR A 96 -2.836 13.897 4.332 1.00 34.40 H new ATOM 0 HG22 THR A 96 -1.368 12.915 4.549 1.00 34.40 H new ATOM 0 HG23 THR A 96 -1.447 14.121 3.243 1.00 34.40 H new ATOM 1603 N TRP A 97 0.737 11.304 3.139 1.00 3.13 N ATOM 1604 CA TRP A 97 1.753 10.785 4.079 1.00 43.41 C ATOM 1605 C TRP A 97 1.725 11.557 5.423 1.00 20.31 C ATOM 1606 O TRP A 97 1.831 12.791 5.439 1.00 54.25 O ATOM 1607 CB TRP A 97 3.168 10.902 3.448 1.00 15.42 C ATOM 1608 CG TRP A 97 3.403 9.983 2.268 1.00 65.40 C ATOM 1609 CD1 TRP A 97 3.002 10.175 0.970 1.00 23.25 C ATOM 1610 CD2 TRP A 97 4.096 8.722 2.290 1.00 64.21 C ATOM 1611 NE1 TRP A 97 3.394 9.109 0.196 1.00 72.35 N ATOM 1612 CE2 TRP A 97 4.069 8.209 0.981 1.00 22.25 C ATOM 1613 CE3 TRP A 97 4.741 7.977 3.293 1.00 31.01 C ATOM 1614 CZ2 TRP A 97 4.652 6.994 0.650 1.00 1.41 C ATOM 1615 CZ3 TRP A 97 5.318 6.762 2.958 1.00 3.32 C ATOM 1616 CH2 TRP A 97 5.272 6.283 1.644 1.00 43.54 C ATOM 0 H TRP A 97 1.091 12.033 2.520 1.00 3.13 H new ATOM 0 HA TRP A 97 1.521 9.739 4.277 1.00 43.41 H new ATOM 0 HB2 TRP A 97 3.326 11.932 3.128 1.00 15.42 H new ATOM 0 HB3 TRP A 97 3.913 10.688 4.214 1.00 15.42 H new ATOM 0 HD1 TRP A 97 2.459 11.036 0.610 1.00 23.25 H new ATOM 0 HE1 TRP A 97 3.212 9.004 -0.802 1.00 72.35 H new ATOM 0 HE3 TRP A 97 4.786 8.345 4.307 1.00 31.01 H new ATOM 0 HZ2 TRP A 97 4.618 6.619 -0.362 1.00 1.41 H new ATOM 0 HZ3 TRP A 97 5.810 6.177 3.721 1.00 3.32 H new ATOM 0 HH2 TRP A 97 5.734 5.335 1.409 1.00 43.54 H new ATOM 1627 N ASP A 98 1.560 10.818 6.534 1.00 50.02 N ATOM 1628 CA ASP A 98 1.735 11.336 7.911 1.00 23.24 C ATOM 1629 C ASP A 98 2.834 10.505 8.594 1.00 54.12 C ATOM 1630 O ASP A 98 2.561 9.432 9.152 1.00 62.43 O ATOM 1631 CB ASP A 98 0.405 11.262 8.727 1.00 1.32 C ATOM 1632 CG ASP A 98 -0.705 12.176 8.180 1.00 71.51 C ATOM 1633 OD1 ASP A 98 -1.286 11.858 7.114 1.00 42.14 O ATOM 1634 OD2 ASP A 98 -1.007 13.217 8.812 1.00 53.54 O ATOM 0 H ASP A 98 1.298 9.833 6.506 1.00 50.02 H new ATOM 0 HA ASP A 98 2.021 12.387 7.869 1.00 23.24 H new ATOM 0 HB2 ASP A 98 0.047 10.232 8.730 1.00 1.32 H new ATOM 0 HB3 ASP A 98 0.609 11.532 9.763 1.00 1.32 H new ATOM 1639 N GLY A 99 4.085 10.989 8.488 1.00 64.40 N ATOM 1640 CA GLY A 99 5.251 10.296 9.038 1.00 41.10 C ATOM 1641 C GLY A 99 5.586 9.029 8.258 1.00 64.31 C ATOM 1642 O GLY A 99 5.724 9.070 7.028 1.00 24.21 O ATOM 0 H GLY A 99 4.309 11.867 8.020 1.00 64.40 H new ATOM 0 HA2 GLY A 99 6.110 10.967 9.025 1.00 41.10 H new ATOM 0 HA3 GLY A 99 5.062 10.040 10.080 1.00 41.10 H new ATOM 1646 N ASP A 100 5.676 7.893 8.973 1.00 64.13 N ATOM 1647 CA ASP A 100 5.967 6.567 8.379 1.00 55.45 C ATOM 1648 C ASP A 100 4.695 5.923 7.790 1.00 72.02 C ATOM 1649 O ASP A 100 4.765 4.858 7.165 1.00 63.54 O ATOM 1650 CB ASP A 100 6.582 5.616 9.448 1.00 62.10 C ATOM 1651 CG ASP A 100 7.866 6.168 10.088 1.00 44.42 C ATOM 1652 OD1 ASP A 100 7.775 6.966 11.045 1.00 13.50 O ATOM 1653 OD2 ASP A 100 8.970 5.815 9.638 1.00 50.04 O ATOM 0 H ASP A 100 5.549 7.864 9.985 1.00 64.13 H new ATOM 0 HA ASP A 100 6.683 6.720 7.572 1.00 55.45 H new ATOM 0 HB2 ASP A 100 5.844 5.434 10.230 1.00 62.10 H new ATOM 0 HB3 ASP A 100 6.800 4.653 8.985 1.00 62.10 H new ATOM 1658 N THR A 101 3.534 6.557 8.016 1.00 52.54 N ATOM 1659 CA THR A 101 2.228 6.068 7.544 1.00 14.02 C ATOM 1660 C THR A 101 1.786 6.883 6.313 1.00 44.51 C ATOM 1661 O THR A 101 2.159 8.049 6.170 1.00 11.24 O ATOM 1662 CB THR A 101 1.159 6.187 8.690 1.00 73.51 C ATOM 1663 OG1 THR A 101 1.616 5.457 9.841 1.00 21.03 O ATOM 1664 CG2 THR A 101 -0.236 5.660 8.286 1.00 13.11 C ATOM 0 H THR A 101 3.474 7.432 8.537 1.00 52.54 H new ATOM 0 HA THR A 101 2.317 5.019 7.263 1.00 14.02 H new ATOM 0 HB THR A 101 1.050 7.249 8.908 1.00 73.51 H new ATOM 0 HG1 THR A 101 0.953 5.530 10.559 1.00 21.03 H new ATOM 0 HG21 THR A 101 -0.924 5.773 9.124 1.00 13.11 H new ATOM 0 HG22 THR A 101 -0.607 6.228 7.433 1.00 13.11 H new ATOM 0 HG23 THR A 101 -0.163 4.607 8.016 1.00 13.11 H new ATOM 1672 N VAL A 102 1.025 6.238 5.420 1.00 51.02 N ATOM 1673 CA VAL A 102 0.331 6.896 4.306 1.00 43.33 C ATOM 1674 C VAL A 102 -1.148 6.434 4.303 1.00 44.34 C ATOM 1675 O VAL A 102 -1.439 5.243 4.179 1.00 64.21 O ATOM 1676 CB VAL A 102 1.041 6.617 2.919 1.00 44.54 C ATOM 1677 CG1 VAL A 102 1.259 5.110 2.656 1.00 11.02 C ATOM 1678 CG2 VAL A 102 0.276 7.284 1.754 1.00 23.24 C ATOM 0 H VAL A 102 0.872 5.230 5.452 1.00 51.02 H new ATOM 0 HA VAL A 102 0.370 7.976 4.446 1.00 43.33 H new ATOM 0 HB VAL A 102 2.031 7.070 2.978 1.00 44.54 H new ATOM 0 HG11 VAL A 102 1.749 4.976 1.692 1.00 11.02 H new ATOM 0 HG12 VAL A 102 1.886 4.690 3.443 1.00 11.02 H new ATOM 0 HG13 VAL A 102 0.296 4.599 2.648 1.00 11.02 H new ATOM 0 HG21 VAL A 102 0.788 7.074 0.815 1.00 23.24 H new ATOM 0 HG22 VAL A 102 -0.738 6.887 1.710 1.00 23.24 H new ATOM 0 HG23 VAL A 102 0.238 8.362 1.914 1.00 23.24 H new ATOM 1688 N THR A 103 -2.069 7.383 4.513 1.00 71.33 N ATOM 1689 CA THR A 103 -3.514 7.137 4.473 1.00 45.51 C ATOM 1690 C THR A 103 -4.016 7.451 3.054 1.00 30.35 C ATOM 1691 O THR A 103 -3.880 8.582 2.574 1.00 71.20 O ATOM 1692 CB THR A 103 -4.270 8.021 5.522 1.00 72.42 C ATOM 1693 OG1 THR A 103 -3.725 7.794 6.834 1.00 32.13 O ATOM 1694 CG2 THR A 103 -5.788 7.747 5.553 1.00 51.13 C ATOM 0 H THR A 103 -1.828 8.353 4.717 1.00 71.33 H new ATOM 0 HA THR A 103 -3.710 6.095 4.724 1.00 45.51 H new ATOM 0 HB THR A 103 -4.129 9.059 5.220 1.00 72.42 H new ATOM 0 HG1 THR A 103 -4.200 8.350 7.486 1.00 32.13 H new ATOM 0 HG21 THR A 103 -6.258 8.388 6.298 1.00 51.13 H new ATOM 0 HG22 THR A 103 -6.216 7.956 4.572 1.00 51.13 H new ATOM 0 HG23 THR A 103 -5.964 6.703 5.810 1.00 51.13 H new ATOM 1702 N VAL A 104 -4.538 6.424 2.381 1.00 44.34 N ATOM 1703 CA VAL A 104 -5.116 6.526 1.038 1.00 71.12 C ATOM 1704 C VAL A 104 -6.614 6.223 1.136 1.00 54.14 C ATOM 1705 O VAL A 104 -6.990 5.090 1.413 1.00 32.41 O ATOM 1706 CB VAL A 104 -4.403 5.519 0.050 1.00 30.11 C ATOM 1707 CG1 VAL A 104 -5.018 5.554 -1.373 1.00 63.21 C ATOM 1708 CG2 VAL A 104 -2.883 5.795 0.014 1.00 23.31 C ATOM 0 H VAL A 104 -4.572 5.478 2.761 1.00 44.34 H new ATOM 0 HA VAL A 104 -4.969 7.531 0.643 1.00 71.12 H new ATOM 0 HB VAL A 104 -4.567 4.511 0.430 1.00 30.11 H new ATOM 0 HG11 VAL A 104 -4.494 4.845 -2.014 1.00 63.21 H new ATOM 0 HG12 VAL A 104 -6.073 5.284 -1.320 1.00 63.21 H new ATOM 0 HG13 VAL A 104 -4.921 6.558 -1.787 1.00 63.21 H new ATOM 0 HG21 VAL A 104 -2.402 5.095 -0.670 1.00 23.31 H new ATOM 0 HG22 VAL A 104 -2.706 6.815 -0.327 1.00 23.31 H new ATOM 0 HG23 VAL A 104 -2.467 5.669 1.013 1.00 23.31 H new ATOM 1718 N GLU A 105 -7.468 7.236 0.927 1.00 0.14 N ATOM 1719 CA GLU A 105 -8.932 7.068 0.966 1.00 72.13 C ATOM 1720 C GLU A 105 -9.527 7.543 -0.363 1.00 13.15 C ATOM 1721 O GLU A 105 -9.416 8.726 -0.709 1.00 21.32 O ATOM 1722 CB GLU A 105 -9.556 7.837 2.163 1.00 40.42 C ATOM 1723 CG GLU A 105 -11.097 7.705 2.259 1.00 43.01 C ATOM 1724 CD GLU A 105 -11.699 8.408 3.483 1.00 21.14 C ATOM 1725 OE1 GLU A 105 -11.708 9.655 3.516 1.00 33.34 O ATOM 1726 OE2 GLU A 105 -12.169 7.724 4.418 1.00 15.24 O ATOM 0 H GLU A 105 -7.168 8.190 0.727 1.00 0.14 H new ATOM 0 HA GLU A 105 -9.165 6.013 1.108 1.00 72.13 H new ATOM 0 HB2 GLU A 105 -9.111 7.471 3.089 1.00 40.42 H new ATOM 0 HB3 GLU A 105 -9.296 8.892 2.080 1.00 40.42 H new ATOM 0 HG2 GLU A 105 -11.546 8.119 1.356 1.00 43.01 H new ATOM 0 HG3 GLU A 105 -11.361 6.648 2.291 1.00 43.01 H new ATOM 1733 N GLY A 106 -10.140 6.609 -1.106 1.00 14.14 N ATOM 1734 CA GLY A 106 -10.721 6.894 -2.419 1.00 42.44 C ATOM 1735 C GLY A 106 -12.032 6.163 -2.643 1.00 32.25 C ATOM 1736 O GLY A 106 -12.444 5.343 -1.808 1.00 34.30 O ATOM 0 H GLY A 106 -10.245 5.638 -0.811 1.00 14.14 H new ATOM 0 HA2 GLY A 106 -10.886 7.967 -2.515 1.00 42.44 H new ATOM 0 HA3 GLY A 106 -10.012 6.609 -3.196 1.00 42.44 H new ATOM 1740 N GLN A 107 -12.695 6.473 -3.772 1.00 71.22 N ATOM 1741 CA GLN A 107 -13.954 5.820 -4.155 1.00 2.23 C ATOM 1742 C GLN A 107 -13.669 4.439 -4.760 1.00 23.23 C ATOM 1743 O GLN A 107 -12.965 4.330 -5.773 1.00 23.33 O ATOM 1744 CB GLN A 107 -14.768 6.677 -5.170 1.00 20.14 C ATOM 1745 CG GLN A 107 -16.140 6.055 -5.558 1.00 0.21 C ATOM 1746 CD GLN A 107 -16.983 6.894 -6.522 1.00 2.30 C ATOM 1747 OE1 GLN A 107 -16.461 7.628 -7.361 1.00 12.44 O ATOM 1748 NE2 GLN A 107 -18.300 6.778 -6.422 1.00 30.53 N ATOM 0 H GLN A 107 -12.375 7.177 -4.437 1.00 71.22 H new ATOM 0 HA GLN A 107 -14.553 5.711 -3.251 1.00 2.23 H new ATOM 0 HB2 GLN A 107 -14.935 7.666 -4.744 1.00 20.14 H new ATOM 0 HB3 GLN A 107 -14.174 6.815 -6.073 1.00 20.14 H new ATOM 0 HG2 GLN A 107 -15.964 5.078 -6.009 1.00 0.21 H new ATOM 0 HG3 GLN A 107 -16.716 5.887 -4.648 1.00 0.21 H new ATOM 0 HE21 GLN A 107 -18.706 6.162 -5.717 1.00 30.53 H new ATOM 0 HE22 GLN A 107 -18.907 7.305 -7.050 1.00 30.53 H new