USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 Single : A 2 GLN : amide:sc= -0.522 K(o=-0.52,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.136) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0.1 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.207 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0159) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.2!) USER MOD Single : A 41 GLN :FLIP amide:sc=-0.000677 F(o=-1.8,f=-0.00068) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.49 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.95) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc=-0.00296 (180deg=-0.056) USER MOD Single : A 65 SER OG : rot 106:sc= 0.74 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -10.638 -7.740 1.746 1.00 74.22 N ATOM 19 CA GLN A 2 -9.358 -8.357 1.419 1.00 44.22 C ATOM 20 C GLN A 2 -8.835 -7.601 0.193 1.00 42.20 C ATOM 21 O GLN A 2 -9.627 -7.079 -0.598 1.00 30.22 O ATOM 22 CB GLN A 2 -9.570 -9.857 1.136 1.00 12.45 C ATOM 23 CG GLN A 2 -8.549 -10.757 1.844 1.00 33.40 C ATOM 24 CD GLN A 2 -8.782 -10.864 3.355 1.00 4.14 C ATOM 25 OE1 GLN A 2 -9.176 -9.903 4.013 1.00 41.43 O ATOM 26 NE2 GLN A 2 -8.539 -12.023 3.943 1.00 51.34 N ATOM 0 HA GLN A 2 -8.636 -8.296 2.233 1.00 44.22 H new ATOM 0 HB2 GLN A 2 -10.574 -10.141 1.451 1.00 12.45 H new ATOM 0 HB3 GLN A 2 -9.512 -10.029 0.061 1.00 12.45 H new ATOM 0 HG2 GLN A 2 -8.588 -11.754 1.406 1.00 33.40 H new ATOM 0 HG3 GLN A 2 -7.546 -10.369 1.664 1.00 33.40 H new ATOM 0 HE21 GLN A 2 -8.212 -12.816 3.391 1.00 51.34 H new ATOM 0 HE22 GLN A 2 -8.678 -12.124 4.948 1.00 51.34 H new ATOM 35 N ILE A 3 -7.519 -7.461 0.058 1.00 21.24 N ATOM 36 CA ILE A 3 -6.838 -6.761 -1.027 1.00 15.24 C ATOM 37 C ILE A 3 -5.524 -7.494 -1.332 1.00 50.11 C ATOM 38 O ILE A 3 -5.121 -8.407 -0.609 1.00 13.22 O ATOM 39 CB ILE A 3 -6.610 -5.255 -0.682 1.00 35.41 C ATOM 40 CG1 ILE A 3 -5.362 -4.989 0.196 1.00 2.43 C ATOM 41 CG2 ILE A 3 -7.852 -4.580 -0.053 1.00 75.32 C ATOM 42 CD1 ILE A 3 -5.043 -3.496 0.358 1.00 22.25 C ATOM 0 H ILE A 3 -6.866 -7.853 0.737 1.00 21.24 H new ATOM 0 HA ILE A 3 -7.463 -6.770 -1.920 1.00 15.24 H new ATOM 0 HB ILE A 3 -6.425 -4.795 -1.653 1.00 35.41 H new ATOM 0 HG12 ILE A 3 -5.518 -5.429 1.181 1.00 2.43 H new ATOM 0 HG13 ILE A 3 -4.502 -5.492 -0.245 1.00 2.43 H new ATOM 0 HG21 ILE A 3 -7.628 -3.535 0.163 1.00 75.32 H new ATOM 0 HG22 ILE A 3 -8.688 -4.635 -0.750 1.00 75.32 H new ATOM 0 HG23 ILE A 3 -8.116 -5.093 0.872 1.00 75.32 H new ATOM 0 HD11 ILE A 3 -4.158 -3.379 0.984 1.00 22.25 H new ATOM 0 HD12 ILE A 3 -4.856 -3.056 -0.621 1.00 22.25 H new ATOM 0 HD13 ILE A 3 -5.888 -2.992 0.827 1.00 22.25 H new ATOM 54 N PHE A 4 -4.833 -7.097 -2.398 1.00 2.53 N ATOM 55 CA PHE A 4 -3.563 -7.700 -2.769 1.00 53.15 C ATOM 56 C PHE A 4 -2.555 -6.600 -3.066 1.00 4.14 C ATOM 57 O PHE A 4 -2.907 -5.568 -3.643 1.00 3.34 O ATOM 58 CB PHE A 4 -3.743 -8.588 -4.002 1.00 12.42 C ATOM 59 CG PHE A 4 -4.620 -9.807 -3.814 1.00 52.02 C ATOM 60 CD1 PHE A 4 -6.004 -9.729 -4.057 1.00 3.31 C ATOM 61 CD2 PHE A 4 -4.039 -11.041 -3.469 1.00 33.22 C ATOM 62 CE1 PHE A 4 -6.803 -10.880 -3.948 1.00 71.14 C ATOM 63 CE2 PHE A 4 -4.834 -12.196 -3.380 1.00 34.31 C ATOM 64 CZ PHE A 4 -6.216 -12.112 -3.616 1.00 24.11 C ATOM 0 H PHE A 4 -5.139 -6.352 -3.024 1.00 2.53 H new ATOM 0 HA PHE A 4 -3.200 -8.315 -1.946 1.00 53.15 H new ATOM 0 HB2 PHE A 4 -4.163 -7.982 -4.805 1.00 12.42 H new ATOM 0 HB3 PHE A 4 -2.759 -8.919 -4.334 1.00 12.42 H new ATOM 0 HD1 PHE A 4 -6.452 -8.784 -4.327 1.00 3.31 H new ATOM 0 HD2 PHE A 4 -2.979 -11.101 -3.272 1.00 33.22 H new ATOM 0 HE1 PHE A 4 -7.867 -10.817 -4.119 1.00 71.14 H new ATOM 0 HE2 PHE A 4 -4.384 -13.146 -3.131 1.00 34.31 H new ATOM 0 HZ PHE A 4 -6.829 -12.998 -3.542 1.00 24.11 H new ATOM 74 N VAL A 5 -1.299 -6.812 -2.685 1.00 62.20 N ATOM 75 CA VAL A 5 -0.241 -5.831 -2.954 1.00 22.42 C ATOM 76 C VAL A 5 0.913 -6.545 -3.656 1.00 54.15 C ATOM 77 O VAL A 5 1.288 -7.659 -3.285 1.00 23.42 O ATOM 78 CB VAL A 5 0.198 -5.079 -1.681 1.00 72.33 C ATOM 79 CG1 VAL A 5 1.189 -3.962 -2.047 1.00 62.42 C ATOM 80 CG2 VAL A 5 -0.994 -4.458 -0.930 1.00 11.54 C ATOM 0 H VAL A 5 -0.985 -7.648 -2.192 1.00 62.20 H new ATOM 0 HA VAL A 5 -0.624 -5.052 -3.614 1.00 22.42 H new ATOM 0 HB VAL A 5 0.670 -5.811 -1.025 1.00 72.33 H new ATOM 0 HG11 VAL A 5 1.494 -3.436 -1.143 1.00 62.42 H new ATOM 0 HG12 VAL A 5 2.066 -4.396 -2.527 1.00 62.42 H new ATOM 0 HG13 VAL A 5 0.711 -3.261 -2.731 1.00 62.42 H new ATOM 0 HG21 VAL A 5 -0.634 -3.940 -0.041 1.00 11.54 H new ATOM 0 HG22 VAL A 5 -1.505 -3.749 -1.581 1.00 11.54 H new ATOM 0 HG23 VAL A 5 -1.688 -5.245 -0.635 1.00 11.54 H new ATOM 90 N LYS A 6 1.480 -5.923 -4.691 1.00 1.42 N ATOM 91 CA LYS A 6 2.589 -6.499 -5.429 1.00 32.51 C ATOM 92 C LYS A 6 3.646 -5.421 -5.613 1.00 53.24 C ATOM 93 O LYS A 6 3.400 -4.379 -6.232 1.00 31.01 O ATOM 94 CB LYS A 6 2.031 -7.056 -6.745 1.00 23.12 C ATOM 95 CG LYS A 6 3.052 -7.893 -7.516 1.00 63.34 C ATOM 96 CD LYS A 6 2.447 -8.566 -8.760 1.00 25.33 C ATOM 97 CE LYS A 6 1.936 -7.591 -9.836 1.00 63.54 C ATOM 98 NZ LYS A 6 0.506 -7.226 -9.714 1.00 42.43 N ATOM 0 H LYS A 6 1.180 -5.011 -5.035 1.00 1.42 H new ATOM 0 HA LYS A 6 3.071 -7.325 -4.906 1.00 32.51 H new ATOM 0 HB2 LYS A 6 1.154 -7.667 -6.532 1.00 23.12 H new ATOM 0 HB3 LYS A 6 1.699 -6.229 -7.372 1.00 23.12 H new ATOM 0 HG2 LYS A 6 3.883 -7.256 -7.820 1.00 63.34 H new ATOM 0 HG3 LYS A 6 3.461 -8.658 -6.856 1.00 63.34 H new ATOM 0 HD2 LYS A 6 3.199 -9.216 -9.206 1.00 25.33 H new ATOM 0 HD3 LYS A 6 1.621 -9.204 -8.445 1.00 25.33 H new ATOM 0 HE2 LYS A 6 2.534 -6.680 -9.795 1.00 63.54 H new ATOM 0 HE3 LYS A 6 2.101 -8.036 -10.817 1.00 63.54 H new ATOM 0 HZ1 LYS A 6 0.126 -6.991 -10.653 1.00 42.43 H new ATOM 0 HZ2 LYS A 6 -0.024 -8.028 -9.317 1.00 42.43 H new ATOM 0 HZ3 LYS A 6 0.410 -6.402 -9.086 1.00 42.43 H new ATOM 112 N THR A 7 4.833 -5.682 -5.092 1.00 22.34 N ATOM 113 CA THR A 7 5.971 -4.790 -5.178 1.00 23.32 C ATOM 114 C THR A 7 6.587 -4.957 -6.573 1.00 13.22 C ATOM 115 O THR A 7 6.456 -6.024 -7.177 1.00 40.54 O ATOM 116 CB THR A 7 6.937 -5.197 -4.055 1.00 73.12 C ATOM 117 OG1 THR A 7 6.290 -5.139 -2.805 1.00 11.00 O ATOM 118 CG2 THR A 7 8.192 -4.344 -3.932 1.00 73.12 C ATOM 0 H THR A 7 5.034 -6.544 -4.585 1.00 22.34 H new ATOM 0 HA THR A 7 5.711 -3.739 -5.052 1.00 23.32 H new ATOM 0 HB THR A 7 7.244 -6.206 -4.331 1.00 73.12 H new ATOM 0 HG1 THR A 7 6.917 -5.403 -2.100 1.00 11.00 H new ATOM 0 HG21 THR A 7 8.805 -4.715 -3.111 1.00 73.12 H new ATOM 0 HG22 THR A 7 8.760 -4.396 -4.861 1.00 73.12 H new ATOM 0 HG23 THR A 7 7.911 -3.309 -3.736 1.00 73.12 H new ATOM 126 N LEU A 8 7.330 -3.952 -7.057 1.00 72.13 N ATOM 127 CA LEU A 8 7.993 -3.966 -8.371 1.00 62.44 C ATOM 128 C LEU A 8 8.965 -5.143 -8.587 1.00 1.14 C ATOM 129 O LEU A 8 9.485 -5.323 -9.690 1.00 75.33 O ATOM 130 CB LEU A 8 8.677 -2.612 -8.662 1.00 72.44 C ATOM 131 CG LEU A 8 10.099 -2.392 -8.091 1.00 21.51 C ATOM 132 CD1 LEU A 8 10.657 -1.052 -8.580 1.00 33.52 C ATOM 133 CD2 LEU A 8 10.138 -2.390 -6.560 1.00 51.05 C ATOM 0 H LEU A 8 7.491 -3.089 -6.537 1.00 72.13 H new ATOM 0 HA LEU A 8 7.194 -4.123 -9.095 1.00 62.44 H new ATOM 0 HB2 LEU A 8 8.726 -2.485 -9.744 1.00 72.44 H new ATOM 0 HB3 LEU A 8 8.034 -1.821 -8.277 1.00 72.44 H new ATOM 0 HG LEU A 8 10.701 -3.228 -8.446 1.00 21.51 H new ATOM 0 HD11 LEU A 8 11.658 -0.905 -8.174 1.00 33.52 H new ATOM 0 HD12 LEU A 8 10.704 -1.053 -9.669 1.00 33.52 H new ATOM 0 HD13 LEU A 8 10.007 -0.243 -8.246 1.00 33.52 H new ATOM 0 HD21 LEU A 8 11.162 -2.231 -6.222 1.00 51.05 H new ATOM 0 HD22 LEU A 8 9.503 -1.589 -6.181 1.00 51.05 H new ATOM 0 HD23 LEU A 8 9.777 -3.348 -6.186 1.00 51.05 H new ATOM 145 N THR A 9 9.264 -5.903 -7.538 1.00 13.45 N ATOM 146 CA THR A 9 10.129 -7.069 -7.506 1.00 71.31 C ATOM 147 C THR A 9 9.453 -8.264 -8.198 1.00 60.13 C ATOM 148 O THR A 9 10.138 -9.160 -8.696 1.00 24.03 O ATOM 149 CB THR A 9 10.408 -7.371 -6.023 1.00 73.01 C ATOM 150 OG1 THR A 9 9.197 -7.411 -5.291 1.00 51.40 O ATOM 151 CG2 THR A 9 11.270 -6.272 -5.396 1.00 73.22 C ATOM 0 H THR A 9 8.875 -5.700 -6.617 1.00 13.45 H new ATOM 0 HA THR A 9 11.060 -6.883 -8.042 1.00 71.31 H new ATOM 0 HB THR A 9 10.922 -8.332 -5.983 1.00 73.01 H new ATOM 0 HG1 THR A 9 9.390 -7.606 -4.350 1.00 51.40 H new ATOM 0 HG21 THR A 9 11.454 -6.507 -4.348 1.00 73.22 H new ATOM 0 HG22 THR A 9 12.220 -6.208 -5.926 1.00 73.22 H new ATOM 0 HG23 THR A 9 10.750 -5.317 -5.468 1.00 73.22 H new ATOM 159 N GLY A 10 8.116 -8.260 -8.261 1.00 21.21 N ATOM 160 CA GLY A 10 7.294 -9.300 -8.857 1.00 15.00 C ATOM 161 C GLY A 10 6.730 -10.244 -7.796 1.00 13.41 C ATOM 162 O GLY A 10 5.885 -11.083 -8.112 1.00 62.44 O ATOM 0 H GLY A 10 7.561 -7.494 -7.879 1.00 21.21 H new ATOM 0 HA2 GLY A 10 6.475 -8.844 -9.413 1.00 15.00 H new ATOM 0 HA3 GLY A 10 7.887 -9.869 -9.573 1.00 15.00 H new ATOM 166 N LYS A 11 7.165 -10.151 -6.530 1.00 34.11 N ATOM 167 CA LYS A 11 6.650 -11.039 -5.495 1.00 44.20 C ATOM 168 C LYS A 11 5.214 -10.664 -5.160 1.00 20.11 C ATOM 169 O LYS A 11 4.954 -9.602 -4.600 1.00 32.43 O ATOM 170 CB LYS A 11 7.562 -11.072 -4.254 1.00 4.32 C ATOM 171 CG LYS A 11 7.235 -12.245 -3.307 1.00 1.10 C ATOM 172 CD LYS A 11 7.872 -13.596 -3.686 1.00 64.10 C ATOM 173 CE LYS A 11 7.464 -14.096 -5.078 1.00 51.51 C ATOM 174 NZ LYS A 11 7.822 -15.498 -5.329 1.00 23.51 N ATOM 0 H LYS A 11 7.861 -9.479 -6.209 1.00 34.11 H new ATOM 0 HA LYS A 11 6.648 -12.058 -5.881 1.00 44.20 H new ATOM 0 HB2 LYS A 11 8.601 -11.147 -4.574 1.00 4.32 H new ATOM 0 HB3 LYS A 11 7.463 -10.133 -3.710 1.00 4.32 H new ATOM 0 HG2 LYS A 11 7.559 -11.979 -2.301 1.00 1.10 H new ATOM 0 HG3 LYS A 11 6.153 -12.370 -3.271 1.00 1.10 H new ATOM 0 HD2 LYS A 11 8.957 -13.501 -3.646 1.00 64.10 H new ATOM 0 HD3 LYS A 11 7.590 -14.343 -2.943 1.00 64.10 H new ATOM 0 HE2 LYS A 11 6.387 -13.979 -5.195 1.00 51.51 H new ATOM 0 HE3 LYS A 11 7.937 -13.468 -5.833 1.00 51.51 H new ATOM 0 HZ1 LYS A 11 7.517 -15.768 -6.286 1.00 23.51 H new ATOM 0 HZ2 LYS A 11 8.852 -15.613 -5.248 1.00 23.51 H new ATOM 0 HZ3 LYS A 11 7.350 -16.107 -4.631 1.00 23.51 H new ATOM 188 N THR A 12 4.271 -11.519 -5.524 1.00 65.44 N ATOM 189 CA THR A 12 2.860 -11.313 -5.269 1.00 44.52 C ATOM 190 C THR A 12 2.599 -11.668 -3.794 1.00 3.10 C ATOM 191 O THR A 12 3.053 -12.721 -3.341 1.00 61.13 O ATOM 192 CB THR A 12 2.099 -12.166 -6.312 1.00 54.33 C ATOM 193 OG1 THR A 12 0.986 -11.481 -6.854 1.00 61.41 O ATOM 194 CG2 THR A 12 1.701 -13.577 -5.861 1.00 12.34 C ATOM 0 H THR A 12 4.472 -12.391 -6.014 1.00 65.44 H new ATOM 0 HA THR A 12 2.513 -10.287 -5.389 1.00 44.52 H new ATOM 0 HB THR A 12 2.841 -12.321 -7.095 1.00 54.33 H new ATOM 0 HG1 THR A 12 0.536 -12.055 -7.509 1.00 61.41 H new ATOM 0 HG21 THR A 12 1.174 -14.083 -6.670 1.00 12.34 H new ATOM 0 HG22 THR A 12 2.596 -14.142 -5.602 1.00 12.34 H new ATOM 0 HG23 THR A 12 1.049 -13.510 -4.990 1.00 12.34 H new ATOM 202 N ILE A 13 1.972 -10.781 -3.016 1.00 45.11 N ATOM 203 CA ILE A 13 1.628 -11.006 -1.609 1.00 44.41 C ATOM 204 C ILE A 13 0.176 -10.562 -1.406 1.00 3.14 C ATOM 205 O ILE A 13 -0.314 -9.677 -2.118 1.00 4.32 O ATOM 206 CB ILE A 13 2.646 -10.430 -0.586 1.00 65.45 C ATOM 207 CG1 ILE A 13 2.734 -8.894 -0.471 1.00 40.22 C ATOM 208 CG2 ILE A 13 4.058 -10.986 -0.859 1.00 43.54 C ATOM 209 CD1 ILE A 13 1.620 -8.242 0.355 1.00 41.31 C ATOM 0 H ILE A 13 1.682 -9.864 -3.356 1.00 45.11 H new ATOM 0 HA ILE A 13 1.704 -12.071 -1.388 1.00 44.41 H new ATOM 0 HB ILE A 13 2.246 -10.763 0.372 1.00 65.45 H new ATOM 0 HG12 ILE A 13 3.695 -8.632 -0.028 1.00 40.22 H new ATOM 0 HG13 ILE A 13 2.719 -8.468 -1.474 1.00 40.22 H new ATOM 0 HG21 ILE A 13 4.758 -10.572 -0.134 1.00 43.54 H new ATOM 0 HG22 ILE A 13 4.044 -12.072 -0.772 1.00 43.54 H new ATOM 0 HG23 ILE A 13 4.371 -10.707 -1.865 1.00 43.54 H new ATOM 0 HD11 ILE A 13 1.768 -7.162 0.378 1.00 41.31 H new ATOM 0 HD12 ILE A 13 0.654 -8.466 -0.096 1.00 41.31 H new ATOM 0 HD13 ILE A 13 1.645 -8.633 1.372 1.00 41.31 H new ATOM 221 N THR A 14 -0.574 -11.257 -0.559 1.00 24.54 N ATOM 222 CA THR A 14 -1.955 -10.910 -0.274 1.00 71.13 C ATOM 223 C THR A 14 -1.977 -10.234 1.100 1.00 51.00 C ATOM 224 O THR A 14 -1.189 -10.579 1.987 1.00 64.32 O ATOM 225 CB THR A 14 -2.843 -12.166 -0.404 1.00 11.24 C ATOM 226 OG1 THR A 14 -4.212 -11.812 -0.329 1.00 63.14 O ATOM 227 CG2 THR A 14 -2.557 -13.257 0.632 1.00 50.43 C ATOM 0 H THR A 14 -0.239 -12.076 -0.052 1.00 24.54 H new ATOM 0 HA THR A 14 -2.374 -10.202 -0.989 1.00 71.13 H new ATOM 0 HB THR A 14 -2.598 -12.587 -1.379 1.00 11.24 H new ATOM 0 HG1 THR A 14 -4.586 -11.759 -1.233 1.00 63.14 H new ATOM 0 HG21 THR A 14 -3.226 -14.101 0.466 1.00 50.43 H new ATOM 0 HG22 THR A 14 -1.523 -13.589 0.535 1.00 50.43 H new ATOM 0 HG23 THR A 14 -2.717 -12.859 1.634 1.00 50.43 H new ATOM 235 N LEU A 15 -2.885 -9.274 1.289 1.00 42.31 N ATOM 236 CA LEU A 15 -3.030 -8.568 2.565 1.00 43.33 C ATOM 237 C LEU A 15 -4.479 -8.683 3.037 1.00 62.30 C ATOM 238 O LEU A 15 -5.426 -8.592 2.253 1.00 61.40 O ATOM 239 CB LEU A 15 -2.549 -7.110 2.440 1.00 12.43 C ATOM 240 CG LEU A 15 -1.085 -6.974 2.914 1.00 54.43 C ATOM 241 CD1 LEU A 15 -0.398 -5.778 2.255 1.00 33.23 C ATOM 242 CD2 LEU A 15 -1.007 -6.810 4.434 1.00 43.30 C ATOM 0 H LEU A 15 -3.537 -8.965 0.568 1.00 42.31 H new ATOM 0 HA LEU A 15 -2.397 -9.028 3.324 1.00 43.33 H new ATOM 0 HB2 LEU A 15 -2.633 -6.782 1.404 1.00 12.43 H new ATOM 0 HB3 LEU A 15 -3.190 -6.458 3.033 1.00 12.43 H new ATOM 0 HG LEU A 15 -0.573 -7.891 2.622 1.00 54.43 H new ATOM 0 HD11 LEU A 15 0.631 -5.709 2.609 1.00 33.23 H new ATOM 0 HD12 LEU A 15 -0.402 -5.907 1.173 1.00 33.23 H new ATOM 0 HD13 LEU A 15 -0.933 -4.864 2.513 1.00 33.23 H new ATOM 0 HD21 LEU A 15 0.036 -6.717 4.737 1.00 43.30 H new ATOM 0 HD22 LEU A 15 -1.553 -5.915 4.732 1.00 43.30 H new ATOM 0 HD23 LEU A 15 -1.449 -7.682 4.917 1.00 43.30 H new ATOM 254 N GLU A 16 -4.647 -8.953 4.328 1.00 32.03 N ATOM 255 CA GLU A 16 -5.928 -9.116 5.001 1.00 72.00 C ATOM 256 C GLU A 16 -6.096 -7.842 5.808 1.00 41.43 C ATOM 257 O GLU A 16 -5.314 -7.581 6.726 1.00 71.13 O ATOM 258 CB GLU A 16 -5.859 -10.382 5.859 1.00 40.31 C ATOM 259 CG GLU A 16 -7.065 -10.606 6.775 1.00 22.35 C ATOM 260 CD GLU A 16 -6.834 -11.885 7.572 1.00 44.52 C ATOM 261 OE1 GLU A 16 -6.050 -11.818 8.544 1.00 24.52 O ATOM 262 OE2 GLU A 16 -7.370 -12.958 7.214 1.00 64.10 O ATOM 0 H GLU A 16 -3.856 -9.069 4.961 1.00 32.03 H new ATOM 0 HA GLU A 16 -6.784 -9.247 4.339 1.00 72.00 H new ATOM 0 HB2 GLU A 16 -5.756 -11.245 5.201 1.00 40.31 H new ATOM 0 HB3 GLU A 16 -4.959 -10.340 6.472 1.00 40.31 H new ATOM 0 HG2 GLU A 16 -7.193 -9.758 7.448 1.00 22.35 H new ATOM 0 HG3 GLU A 16 -7.979 -10.686 6.186 1.00 22.35 H new ATOM 269 N VAL A 17 -7.080 -7.024 5.448 1.00 42.01 N ATOM 270 CA VAL A 17 -7.335 -5.747 6.097 1.00 11.53 C ATOM 271 C VAL A 17 -8.824 -5.560 6.382 1.00 73.50 C ATOM 272 O VAL A 17 -9.634 -6.451 6.102 1.00 53.22 O ATOM 273 CB VAL A 17 -6.652 -4.626 5.276 1.00 74.02 C ATOM 274 CG1 VAL A 17 -5.141 -4.675 5.538 1.00 25.51 C ATOM 275 CG2 VAL A 17 -6.871 -4.688 3.755 1.00 34.22 C ATOM 0 H VAL A 17 -7.729 -7.233 4.689 1.00 42.01 H new ATOM 0 HA VAL A 17 -6.885 -5.708 7.089 1.00 11.53 H new ATOM 0 HB VAL A 17 -7.119 -3.700 5.611 1.00 74.02 H new ATOM 0 HG11 VAL A 17 -4.647 -3.890 4.965 1.00 25.51 H new ATOM 0 HG12 VAL A 17 -4.951 -4.524 6.601 1.00 25.51 H new ATOM 0 HG13 VAL A 17 -4.750 -5.646 5.234 1.00 25.51 H new ATOM 0 HG21 VAL A 17 -6.350 -3.858 3.278 1.00 34.22 H new ATOM 0 HG22 VAL A 17 -6.482 -5.630 3.369 1.00 34.22 H new ATOM 0 HG23 VAL A 17 -7.937 -4.620 3.538 1.00 34.22 H new ATOM 285 N GLU A 18 -9.179 -4.443 7.008 1.00 72.10 N ATOM 286 CA GLU A 18 -10.550 -4.098 7.358 1.00 72.04 C ATOM 287 C GLU A 18 -11.051 -3.063 6.348 1.00 25.20 C ATOM 288 O GLU A 18 -10.239 -2.325 5.776 1.00 72.03 O ATOM 289 CB GLU A 18 -10.573 -3.496 8.770 1.00 32.30 C ATOM 290 CG GLU A 18 -10.118 -4.449 9.883 1.00 32.43 C ATOM 291 CD GLU A 18 -11.128 -5.558 10.176 1.00 54.24 C ATOM 292 OE1 GLU A 18 -11.374 -6.394 9.275 1.00 20.12 O ATOM 293 OE2 GLU A 18 -11.645 -5.605 11.313 1.00 54.33 O ATOM 0 H GLU A 18 -8.503 -3.735 7.293 1.00 72.10 H new ATOM 0 HA GLU A 18 -11.187 -4.982 7.337 1.00 72.04 H new ATOM 0 HB2 GLU A 18 -9.934 -2.613 8.784 1.00 32.30 H new ATOM 0 HB3 GLU A 18 -11.586 -3.160 8.990 1.00 32.30 H new ATOM 0 HG2 GLU A 18 -9.166 -4.899 9.601 1.00 32.43 H new ATOM 0 HG3 GLU A 18 -9.943 -3.876 10.794 1.00 32.43 H new ATOM 300 N PRO A 19 -12.364 -2.961 6.086 1.00 30.33 N ATOM 301 CA PRO A 19 -12.886 -1.977 5.141 1.00 24.51 C ATOM 302 C PRO A 19 -12.724 -0.552 5.691 1.00 51.50 C ATOM 303 O PRO A 19 -12.677 0.399 4.913 1.00 73.23 O ATOM 304 CB PRO A 19 -14.351 -2.362 4.920 1.00 64.42 C ATOM 305 CG PRO A 19 -14.723 -3.036 6.238 1.00 33.50 C ATOM 306 CD PRO A 19 -13.441 -3.749 6.664 1.00 15.01 C ATOM 0 HA PRO A 19 -12.343 -1.980 4.196 1.00 24.51 H new ATOM 0 HB2 PRO A 19 -14.973 -1.490 4.721 1.00 64.42 H new ATOM 0 HB3 PRO A 19 -14.469 -3.037 4.072 1.00 64.42 H new ATOM 0 HG2 PRO A 19 -15.041 -2.307 6.983 1.00 33.50 H new ATOM 0 HG3 PRO A 19 -15.546 -3.739 6.108 1.00 33.50 H new ATOM 0 HD2 PRO A 19 -13.357 -3.796 7.750 1.00 15.01 H new ATOM 0 HD3 PRO A 19 -13.420 -4.776 6.298 1.00 15.01 H new ATOM 314 N SER A 20 -12.603 -0.386 7.008 1.00 4.43 N ATOM 315 CA SER A 20 -12.428 0.880 7.708 1.00 53.02 C ATOM 316 C SER A 20 -10.956 1.327 7.769 1.00 33.31 C ATOM 317 O SER A 20 -10.678 2.385 8.330 1.00 31.12 O ATOM 318 CB SER A 20 -13.029 0.731 9.114 1.00 43.13 C ATOM 319 OG SER A 20 -12.813 -0.570 9.645 1.00 20.41 O ATOM 0 H SER A 20 -12.626 -1.179 7.649 1.00 4.43 H new ATOM 0 HA SER A 20 -12.945 1.665 7.156 1.00 53.02 H new ATOM 0 HB2 SER A 20 -12.587 1.473 9.779 1.00 43.13 H new ATOM 0 HB3 SER A 20 -14.099 0.935 9.075 1.00 43.13 H new ATOM 0 HG SER A 20 -13.207 -0.627 10.540 1.00 20.41 H new ATOM 325 N ASP A 21 -10.019 0.580 7.170 1.00 44.14 N ATOM 326 CA ASP A 21 -8.602 0.934 7.217 1.00 22.40 C ATOM 327 C ASP A 21 -8.282 2.134 6.329 1.00 34.12 C ATOM 328 O ASP A 21 -9.035 2.473 5.406 1.00 2.12 O ATOM 329 CB ASP A 21 -7.711 -0.280 6.881 1.00 31.44 C ATOM 330 CG ASP A 21 -7.544 -1.269 8.043 1.00 30.42 C ATOM 331 OD1 ASP A 21 -7.771 -0.874 9.210 1.00 61.32 O ATOM 332 OD2 ASP A 21 -7.116 -2.421 7.785 1.00 1.32 O ATOM 0 H ASP A 21 -10.221 -0.273 6.648 1.00 44.14 H new ATOM 0 HA ASP A 21 -8.377 1.233 8.241 1.00 22.40 H new ATOM 0 HB2 ASP A 21 -8.138 -0.806 6.027 1.00 31.44 H new ATOM 0 HB3 ASP A 21 -6.727 0.077 6.576 1.00 31.44 H new ATOM 337 N THR A 22 -7.129 2.750 6.590 1.00 11.30 N ATOM 338 CA THR A 22 -6.618 3.922 5.892 1.00 60.32 C ATOM 339 C THR A 22 -5.240 3.633 5.294 1.00 11.43 C ATOM 340 O THR A 22 -4.510 2.763 5.778 1.00 65.53 O ATOM 341 CB THR A 22 -6.662 5.143 6.838 1.00 61.05 C ATOM 342 OG1 THR A 22 -5.952 6.237 6.289 1.00 63.33 O ATOM 343 CG2 THR A 22 -6.104 4.849 8.238 1.00 5.14 C ATOM 0 H THR A 22 -6.501 2.429 7.327 1.00 11.30 H new ATOM 0 HA THR A 22 -7.252 4.169 5.041 1.00 60.32 H new ATOM 0 HB THR A 22 -7.719 5.390 6.943 1.00 61.05 H new ATOM 0 HG1 THR A 22 -6.160 6.317 5.335 1.00 63.33 H new ATOM 0 HG21 THR A 22 -6.165 5.749 8.850 1.00 5.14 H new ATOM 0 HG22 THR A 22 -6.687 4.054 8.702 1.00 5.14 H new ATOM 0 HG23 THR A 22 -5.063 4.535 8.156 1.00 5.14 H new ATOM 351 N ILE A 23 -4.886 4.344 4.219 1.00 72.00 N ATOM 352 CA ILE A 23 -3.601 4.210 3.524 1.00 42.10 C ATOM 353 C ILE A 23 -2.465 4.526 4.504 1.00 71.34 C ATOM 354 O ILE A 23 -1.388 3.929 4.415 1.00 74.13 O ATOM 355 CB ILE A 23 -3.527 5.122 2.268 1.00 63.31 C ATOM 356 CG1 ILE A 23 -4.569 4.798 1.176 1.00 13.01 C ATOM 357 CG2 ILE A 23 -2.135 5.084 1.610 1.00 64.32 C ATOM 358 CD1 ILE A 23 -4.531 3.363 0.625 1.00 21.44 C ATOM 0 H ILE A 23 -5.497 5.044 3.798 1.00 72.00 H new ATOM 0 HA ILE A 23 -3.500 3.184 3.171 1.00 42.10 H new ATOM 0 HB ILE A 23 -3.746 6.114 2.662 1.00 63.31 H new ATOM 0 HG12 ILE A 23 -5.563 4.986 1.581 1.00 13.01 H new ATOM 0 HG13 ILE A 23 -4.426 5.490 0.346 1.00 13.01 H new ATOM 0 HG21 ILE A 23 -2.128 5.735 0.736 1.00 64.32 H new ATOM 0 HG22 ILE A 23 -1.386 5.426 2.324 1.00 64.32 H new ATOM 0 HG23 ILE A 23 -1.905 4.063 1.304 1.00 64.32 H new ATOM 0 HD11 ILE A 23 -5.303 3.244 -0.135 1.00 21.44 H new ATOM 0 HD12 ILE A 23 -3.554 3.169 0.183 1.00 21.44 H new ATOM 0 HD13 ILE A 23 -4.709 2.657 1.436 1.00 21.44 H new ATOM 370 N GLU A 24 -2.676 5.448 5.450 1.00 11.03 N ATOM 371 CA GLU A 24 -1.633 5.779 6.411 1.00 65.25 C ATOM 372 C GLU A 24 -1.256 4.552 7.258 1.00 10.01 C ATOM 373 O GLU A 24 -0.125 4.470 7.737 1.00 54.24 O ATOM 374 CB GLU A 24 -1.998 7.008 7.255 1.00 70.23 C ATOM 375 CG GLU A 24 -3.074 6.718 8.313 1.00 44.54 C ATOM 376 CD GLU A 24 -2.984 7.573 9.569 1.00 33.11 C ATOM 377 OE1 GLU A 24 -1.867 7.644 10.144 1.00 11.14 O ATOM 378 OE2 GLU A 24 -4.056 7.982 10.068 1.00 3.01 O ATOM 0 H GLU A 24 -3.546 5.967 5.566 1.00 11.03 H new ATOM 0 HA GLU A 24 -0.739 6.062 5.855 1.00 65.25 H new ATOM 0 HB2 GLU A 24 -1.101 7.380 7.751 1.00 70.23 H new ATOM 0 HB3 GLU A 24 -2.350 7.802 6.596 1.00 70.23 H new ATOM 0 HG2 GLU A 24 -4.055 6.863 7.862 1.00 44.54 H new ATOM 0 HG3 GLU A 24 -3.007 5.669 8.600 1.00 44.54 H new ATOM 385 N ASN A 25 -2.196 3.625 7.487 1.00 2.21 N ATOM 386 CA ASN A 25 -1.927 2.427 8.266 1.00 31.40 C ATOM 387 C ASN A 25 -1.056 1.490 7.438 1.00 60.23 C ATOM 388 O ASN A 25 -0.093 0.938 7.954 1.00 2.43 O ATOM 389 CB ASN A 25 -3.224 1.733 8.698 1.00 72.01 C ATOM 390 CG ASN A 25 -2.910 0.648 9.717 1.00 33.13 C ATOM 391 OD1 ASN A 25 -2.355 0.945 10.776 1.00 51.53 O ATOM 392 ND2 ASN A 25 -3.228 -0.606 9.444 1.00 14.22 N ATOM 0 H ASN A 25 -3.152 3.690 7.138 1.00 2.21 H new ATOM 0 HA ASN A 25 -1.401 2.706 9.179 1.00 31.40 H new ATOM 0 HB2 ASN A 25 -3.912 2.461 9.128 1.00 72.01 H new ATOM 0 HB3 ASN A 25 -3.721 1.298 7.831 1.00 72.01 H new ATOM 0 HD21 ASN A 25 -3.014 -1.344 10.115 1.00 14.22 H new ATOM 0 HD22 ASN A 25 -3.687 -0.835 8.563 1.00 14.22 H new ATOM 399 N VAL A 26 -1.356 1.354 6.142 1.00 24.42 N ATOM 400 CA VAL A 26 -0.613 0.508 5.212 1.00 72.10 C ATOM 401 C VAL A 26 0.858 0.937 5.209 1.00 63.12 C ATOM 402 O VAL A 26 1.751 0.099 5.358 1.00 63.25 O ATOM 403 CB VAL A 26 -1.249 0.585 3.803 1.00 62.41 C ATOM 404 CG1 VAL A 26 -0.603 -0.402 2.824 1.00 43.25 C ATOM 405 CG2 VAL A 26 -2.756 0.306 3.860 1.00 73.51 C ATOM 0 H VAL A 26 -2.139 1.840 5.705 1.00 24.42 H new ATOM 0 HA VAL A 26 -0.659 -0.534 5.528 1.00 72.10 H new ATOM 0 HB VAL A 26 -1.075 1.600 3.445 1.00 62.41 H new ATOM 0 HG11 VAL A 26 -1.081 -0.313 1.849 1.00 43.25 H new ATOM 0 HG12 VAL A 26 0.459 -0.178 2.729 1.00 43.25 H new ATOM 0 HG13 VAL A 26 -0.727 -1.419 3.197 1.00 43.25 H new ATOM 0 HG21 VAL A 26 -3.176 0.367 2.856 1.00 73.51 H new ATOM 0 HG22 VAL A 26 -2.926 -0.692 4.264 1.00 73.51 H new ATOM 0 HG23 VAL A 26 -3.239 1.044 4.500 1.00 73.51 H new ATOM 415 N LYS A 27 1.127 2.242 5.060 1.00 34.24 N ATOM 416 CA LYS A 27 2.503 2.733 5.043 1.00 10.25 C ATOM 417 C LYS A 27 3.187 2.486 6.396 1.00 15.24 C ATOM 418 O LYS A 27 4.337 2.056 6.418 1.00 72.32 O ATOM 419 CB LYS A 27 2.569 4.182 4.520 1.00 33.13 C ATOM 420 CG LYS A 27 2.592 5.277 5.595 1.00 41.42 C ATOM 421 CD LYS A 27 2.303 6.656 4.990 1.00 63.31 C ATOM 422 CE LYS A 27 2.679 7.823 5.914 1.00 75.24 C ATOM 423 NZ LYS A 27 2.165 7.702 7.297 1.00 70.34 N ATOM 0 H LYS A 27 0.416 2.965 4.951 1.00 34.24 H new ATOM 0 HA LYS A 27 3.091 2.159 4.326 1.00 10.25 H new ATOM 0 HB2 LYS A 27 3.461 4.286 3.903 1.00 33.13 H new ATOM 0 HB3 LYS A 27 1.711 4.354 3.871 1.00 33.13 H new ATOM 0 HG2 LYS A 27 1.852 5.052 6.363 1.00 41.42 H new ATOM 0 HG3 LYS A 27 3.566 5.289 6.085 1.00 41.42 H new ATOM 0 HD2 LYS A 27 2.851 6.754 4.053 1.00 63.31 H new ATOM 0 HD3 LYS A 27 1.242 6.722 4.748 1.00 63.31 H new ATOM 0 HE2 LYS A 27 3.765 7.906 5.950 1.00 75.24 H new ATOM 0 HE3 LYS A 27 2.303 8.749 5.480 1.00 75.24 H new ATOM 0 HZ1 LYS A 27 2.391 8.567 7.828 1.00 70.34 H new ATOM 0 HZ2 LYS A 27 1.134 7.569 7.274 1.00 70.34 H new ATOM 0 HZ3 LYS A 27 2.609 6.885 7.762 1.00 70.34 H new ATOM 437 N ALA A 28 2.478 2.693 7.513 1.00 2.02 N ATOM 438 CA ALA A 28 3.031 2.477 8.845 1.00 2.14 C ATOM 439 C ALA A 28 3.390 1.000 9.048 1.00 25.04 C ATOM 440 O ALA A 28 4.429 0.692 9.638 1.00 60.53 O ATOM 441 CB ALA A 28 2.025 2.938 9.906 1.00 62.12 C ATOM 0 H ALA A 28 1.510 3.013 7.513 1.00 2.02 H new ATOM 0 HA ALA A 28 3.944 3.063 8.946 1.00 2.14 H new ATOM 0 HB1 ALA A 28 2.443 2.774 10.899 1.00 62.12 H new ATOM 0 HB2 ALA A 28 1.814 3.999 9.771 1.00 62.12 H new ATOM 0 HB3 ALA A 28 1.101 2.369 9.803 1.00 62.12 H new ATOM 447 N LYS A 29 2.555 0.078 8.558 1.00 74.55 N ATOM 448 CA LYS A 29 2.790 -1.357 8.681 1.00 70.45 C ATOM 449 C LYS A 29 4.034 -1.762 7.909 1.00 53.42 C ATOM 450 O LYS A 29 4.889 -2.444 8.468 1.00 72.03 O ATOM 451 CB LYS A 29 1.592 -2.152 8.130 1.00 20.01 C ATOM 452 CG LYS A 29 0.377 -2.199 9.060 1.00 25.04 C ATOM 453 CD LYS A 29 0.682 -2.941 10.367 1.00 72.34 C ATOM 454 CE LYS A 29 -0.554 -3.696 10.854 1.00 11.01 C ATOM 455 NZ LYS A 29 -0.641 -5.060 10.301 1.00 22.12 N ATOM 0 H LYS A 29 1.694 0.311 8.063 1.00 74.55 H new ATOM 0 HA LYS A 29 2.924 -1.580 9.739 1.00 70.45 H new ATOM 0 HB2 LYS A 29 1.289 -1.714 7.179 1.00 20.01 H new ATOM 0 HB3 LYS A 29 1.914 -3.172 7.923 1.00 20.01 H new ATOM 0 HG2 LYS A 29 0.055 -1.183 9.287 1.00 25.04 H new ATOM 0 HG3 LYS A 29 -0.452 -2.690 8.549 1.00 25.04 H new ATOM 0 HD2 LYS A 29 1.505 -3.639 10.212 1.00 72.34 H new ATOM 0 HD3 LYS A 29 1.005 -2.231 11.128 1.00 72.34 H new ATOM 0 HE2 LYS A 29 -0.537 -3.750 11.943 1.00 11.01 H new ATOM 0 HE3 LYS A 29 -1.448 -3.138 10.577 1.00 11.01 H new ATOM 0 HZ1 LYS A 29 -1.497 -5.527 10.663 1.00 22.12 H new ATOM 0 HZ2 LYS A 29 -0.686 -5.012 9.263 1.00 22.12 H new ATOM 0 HZ3 LYS A 29 0.198 -5.604 10.586 1.00 22.12 H new ATOM 469 N ILE A 30 4.171 -1.339 6.646 1.00 34.52 N ATOM 470 CA ILE A 30 5.350 -1.734 5.889 1.00 44.33 C ATOM 471 C ILE A 30 6.614 -1.089 6.466 1.00 71.11 C ATOM 472 O ILE A 30 7.658 -1.744 6.472 1.00 5.24 O ATOM 473 CB ILE A 30 5.144 -1.566 4.372 1.00 1.21 C ATOM 474 CG1 ILE A 30 6.094 -2.557 3.672 1.00 54.35 C ATOM 475 CG2 ILE A 30 5.292 -0.118 3.876 1.00 21.35 C ATOM 476 CD1 ILE A 30 5.943 -2.555 2.156 1.00 12.25 C ATOM 0 H ILE A 30 3.506 -0.747 6.148 1.00 34.52 H new ATOM 0 HA ILE A 30 5.509 -2.806 6.007 1.00 44.33 H new ATOM 0 HB ILE A 30 4.110 -1.797 4.118 1.00 1.21 H new ATOM 0 HG12 ILE A 30 7.124 -2.309 3.930 1.00 54.35 H new ATOM 0 HG13 ILE A 30 5.905 -3.562 4.049 1.00 54.35 H new ATOM 0 HG21 ILE A 30 5.132 -0.084 2.798 1.00 21.35 H new ATOM 0 HG22 ILE A 30 4.555 0.514 4.372 1.00 21.35 H new ATOM 0 HG23 ILE A 30 6.294 0.245 4.106 1.00 21.35 H new ATOM 0 HD11 ILE A 30 6.638 -3.273 1.720 1.00 12.25 H new ATOM 0 HD12 ILE A 30 4.922 -2.832 1.892 1.00 12.25 H new ATOM 0 HD13 ILE A 30 6.160 -1.559 1.770 1.00 12.25 H new ATOM 488 N GLN A 31 6.528 0.145 6.981 1.00 41.22 N ATOM 489 CA GLN A 31 7.678 0.808 7.578 1.00 45.35 C ATOM 490 C GLN A 31 8.126 -0.012 8.784 1.00 24.24 C ATOM 491 O GLN A 31 9.318 -0.215 8.974 1.00 22.24 O ATOM 492 CB GLN A 31 7.342 2.254 7.989 1.00 24.32 C ATOM 493 CG GLN A 31 8.518 2.910 8.744 1.00 72.21 C ATOM 494 CD GLN A 31 8.292 4.371 9.122 1.00 54.23 C ATOM 495 OE1 GLN A 31 7.167 4.860 9.196 1.00 51.31 O ATOM 496 NE2 GLN A 31 9.362 5.100 9.397 1.00 35.20 N ATOM 0 H GLN A 31 5.671 0.698 6.993 1.00 41.22 H new ATOM 0 HA GLN A 31 8.485 0.869 6.847 1.00 45.35 H new ATOM 0 HB2 GLN A 31 7.104 2.841 7.102 1.00 24.32 H new ATOM 0 HB3 GLN A 31 6.454 2.258 8.621 1.00 24.32 H new ATOM 0 HG2 GLN A 31 8.714 2.339 9.652 1.00 72.21 H new ATOM 0 HG3 GLN A 31 9.413 2.842 8.126 1.00 72.21 H new ATOM 0 HE21 GLN A 31 10.292 4.685 9.333 1.00 35.20 H new ATOM 0 HE22 GLN A 31 9.257 6.076 9.673 1.00 35.20 H new ATOM 505 N ASP A 32 7.191 -0.506 9.594 1.00 4.15 N ATOM 506 CA ASP A 32 7.521 -1.295 10.773 1.00 25.44 C ATOM 507 C ASP A 32 8.117 -2.660 10.414 1.00 10.42 C ATOM 508 O ASP A 32 9.065 -3.114 11.063 1.00 22.23 O ATOM 509 CB ASP A 32 6.266 -1.462 11.625 1.00 21.14 C ATOM 510 CG ASP A 32 6.624 -1.915 13.033 1.00 72.20 C ATOM 511 OD1 ASP A 32 7.233 -1.100 13.759 1.00 55.42 O ATOM 512 OD2 ASP A 32 6.232 -3.038 13.424 1.00 75.31 O ATOM 0 H ASP A 32 6.190 -0.370 9.450 1.00 4.15 H new ATOM 0 HA ASP A 32 8.287 -0.763 11.337 1.00 25.44 H new ATOM 0 HB2 ASP A 32 5.723 -0.518 11.669 1.00 21.14 H new ATOM 0 HB3 ASP A 32 5.601 -2.191 11.162 1.00 21.14 H new ATOM 517 N LYS A 33 7.606 -3.303 9.357 1.00 14.52 N ATOM 518 CA LYS A 33 8.086 -4.613 8.922 1.00 72.21 C ATOM 519 C LYS A 33 9.458 -4.546 8.263 1.00 4.53 C ATOM 520 O LYS A 33 10.311 -5.362 8.594 1.00 24.13 O ATOM 521 CB LYS A 33 7.064 -5.304 7.999 1.00 10.52 C ATOM 522 CG LYS A 33 5.852 -5.787 8.810 1.00 13.53 C ATOM 523 CD LYS A 33 4.916 -6.720 8.033 1.00 33.50 C ATOM 524 CE LYS A 33 3.791 -7.143 8.988 1.00 44.14 C ATOM 525 NZ LYS A 33 3.005 -8.307 8.523 1.00 23.41 N ATOM 0 H LYS A 33 6.851 -2.928 8.783 1.00 14.52 H new ATOM 0 HA LYS A 33 8.198 -5.217 9.823 1.00 72.21 H new ATOM 0 HB2 LYS A 33 6.738 -4.611 7.223 1.00 10.52 H new ATOM 0 HB3 LYS A 33 7.533 -6.149 7.495 1.00 10.52 H new ATOM 0 HG2 LYS A 33 6.207 -6.304 9.701 1.00 13.53 H new ATOM 0 HG3 LYS A 33 5.285 -4.920 9.149 1.00 13.53 H new ATOM 0 HD2 LYS A 33 4.507 -6.212 7.159 1.00 33.50 H new ATOM 0 HD3 LYS A 33 5.459 -7.592 7.670 1.00 33.50 H new ATOM 0 HE2 LYS A 33 4.224 -7.377 9.961 1.00 44.14 H new ATOM 0 HE3 LYS A 33 3.117 -6.299 9.134 1.00 44.14 H new ATOM 0 HZ1 LYS A 33 2.267 -8.529 9.221 1.00 23.41 H new ATOM 0 HZ2 LYS A 33 2.561 -8.083 7.610 1.00 23.41 H new ATOM 0 HZ3 LYS A 33 3.634 -9.128 8.411 1.00 23.41 H new ATOM 539 N GLU A 34 9.701 -3.606 7.352 1.00 32.42 N ATOM 540 CA GLU A 34 10.985 -3.493 6.656 1.00 23.41 C ATOM 541 C GLU A 34 11.998 -2.591 7.369 1.00 31.44 C ATOM 542 O GLU A 34 13.199 -2.732 7.177 1.00 53.42 O ATOM 543 CB GLU A 34 10.717 -2.907 5.259 1.00 21.10 C ATOM 544 CG GLU A 34 11.742 -3.356 4.204 1.00 45.21 C ATOM 545 CD GLU A 34 11.526 -4.795 3.731 1.00 14.25 C ATOM 546 OE1 GLU A 34 10.358 -5.179 3.510 1.00 14.54 O ATOM 547 OE2 GLU A 34 12.521 -5.531 3.525 1.00 73.14 O ATOM 0 H GLU A 34 9.017 -2.902 7.075 1.00 32.42 H new ATOM 0 HA GLU A 34 11.421 -4.491 6.620 1.00 23.41 H new ATOM 0 HB2 GLU A 34 9.719 -3.202 4.934 1.00 21.10 H new ATOM 0 HB3 GLU A 34 10.723 -1.819 5.322 1.00 21.10 H new ATOM 0 HG2 GLU A 34 11.688 -2.686 3.346 1.00 45.21 H new ATOM 0 HG3 GLU A 34 12.746 -3.263 4.619 1.00 45.21 H new ATOM 554 N GLY A 35 11.520 -1.650 8.184 1.00 64.44 N ATOM 555 CA GLY A 35 12.331 -0.681 8.910 1.00 25.35 C ATOM 556 C GLY A 35 12.722 0.503 8.017 1.00 12.20 C ATOM 557 O GLY A 35 13.351 1.449 8.502 1.00 43.12 O ATOM 0 H GLY A 35 10.521 -1.541 8.361 1.00 64.44 H new ATOM 0 HA2 GLY A 35 11.778 -0.318 9.776 1.00 25.35 H new ATOM 0 HA3 GLY A 35 13.231 -1.167 9.287 1.00 25.35 H new ATOM 561 N ILE A 36 12.286 0.512 6.755 1.00 14.44 N ATOM 562 CA ILE A 36 12.573 1.539 5.766 1.00 42.34 C ATOM 563 C ILE A 36 11.416 2.545 5.792 1.00 1.42 C ATOM 564 O ILE A 36 10.253 2.138 5.740 1.00 25.40 O ATOM 565 CB ILE A 36 12.761 0.880 4.379 1.00 13.10 C ATOM 566 CG1 ILE A 36 13.751 -0.309 4.402 1.00 13.43 C ATOM 567 CG2 ILE A 36 13.214 1.904 3.326 1.00 5.31 C ATOM 568 CD1 ILE A 36 15.165 0.005 4.908 1.00 33.34 C ATOM 0 H ILE A 36 11.697 -0.233 6.384 1.00 14.44 H new ATOM 0 HA ILE A 36 13.499 2.070 5.988 1.00 42.34 H new ATOM 0 HB ILE A 36 11.781 0.490 4.106 1.00 13.10 H new ATOM 0 HG12 ILE A 36 13.329 -1.096 5.027 1.00 13.43 H new ATOM 0 HG13 ILE A 36 13.829 -0.711 3.392 1.00 13.43 H new ATOM 0 HG21 ILE A 36 13.336 1.407 2.364 1.00 5.31 H new ATOM 0 HG22 ILE A 36 12.464 2.689 3.236 1.00 5.31 H new ATOM 0 HG23 ILE A 36 14.164 2.343 3.631 1.00 5.31 H new ATOM 0 HD11 ILE A 36 15.771 -0.901 4.880 1.00 33.34 H new ATOM 0 HD12 ILE A 36 15.619 0.765 4.272 1.00 33.34 H new ATOM 0 HD13 ILE A 36 15.111 0.374 5.932 1.00 33.34 H new ATOM 580 N PRO A 37 11.691 3.858 5.853 1.00 33.40 N ATOM 581 CA PRO A 37 10.651 4.875 5.904 1.00 34.24 C ATOM 582 C PRO A 37 9.856 5.007 4.596 1.00 41.33 C ATOM 583 O PRO A 37 10.397 4.764 3.510 1.00 13.31 O ATOM 584 CB PRO A 37 11.368 6.163 6.283 1.00 51.21 C ATOM 585 CG PRO A 37 12.764 5.972 5.696 1.00 41.41 C ATOM 586 CD PRO A 37 13.005 4.480 5.916 1.00 64.01 C ATOM 0 HA PRO A 37 9.886 4.608 6.633 1.00 34.24 H new ATOM 0 HB2 PRO A 37 10.872 7.038 5.864 1.00 51.21 H new ATOM 0 HB3 PRO A 37 11.401 6.302 7.364 1.00 51.21 H new ATOM 0 HG2 PRO A 37 12.802 6.239 4.640 1.00 41.41 H new ATOM 0 HG3 PRO A 37 13.508 6.584 6.206 1.00 41.41 H new ATOM 0 HD2 PRO A 37 13.668 4.073 5.153 1.00 64.01 H new ATOM 0 HD3 PRO A 37 13.479 4.298 6.880 1.00 64.01 H new ATOM 594 N PRO A 38 8.593 5.475 4.673 1.00 12.35 N ATOM 595 CA PRO A 38 7.717 5.631 3.518 1.00 32.14 C ATOM 596 C PRO A 38 8.173 6.679 2.499 1.00 62.22 C ATOM 597 O PRO A 38 7.678 6.638 1.374 1.00 33.21 O ATOM 598 CB PRO A 38 6.326 5.941 4.086 1.00 72.50 C ATOM 599 CG PRO A 38 6.622 6.570 5.444 1.00 31.53 C ATOM 600 CD PRO A 38 7.865 5.807 5.893 1.00 33.43 C ATOM 0 HA PRO A 38 7.727 4.712 2.932 1.00 32.14 H new ATOM 0 HB2 PRO A 38 5.773 6.623 3.441 1.00 72.50 H new ATOM 0 HB3 PRO A 38 5.724 5.038 4.186 1.00 72.50 H new ATOM 0 HG2 PRO A 38 6.809 7.641 5.364 1.00 31.53 H new ATOM 0 HG3 PRO A 38 5.793 6.443 6.140 1.00 31.53 H new ATOM 0 HD2 PRO A 38 8.477 6.415 6.560 1.00 33.43 H new ATOM 0 HD3 PRO A 38 7.593 4.906 6.443 1.00 33.43 H new ATOM 608 N ASP A 39 9.085 7.607 2.821 1.00 64.04 N ATOM 609 CA ASP A 39 9.556 8.605 1.843 1.00 2.13 C ATOM 610 C ASP A 39 10.371 7.927 0.734 1.00 53.13 C ATOM 611 O ASP A 39 10.555 8.485 -0.349 1.00 4.32 O ATOM 612 CB ASP A 39 10.358 9.740 2.499 1.00 51.34 C ATOM 613 CG ASP A 39 11.681 9.288 3.113 1.00 71.14 C ATOM 614 OD1 ASP A 39 11.636 8.807 4.269 1.00 5.51 O ATOM 615 OD2 ASP A 39 12.759 9.442 2.490 1.00 53.32 O ATOM 0 H ASP A 39 9.511 7.690 3.744 1.00 64.04 H new ATOM 0 HA ASP A 39 8.672 9.063 1.400 1.00 2.13 H new ATOM 0 HB2 ASP A 39 10.559 10.508 1.752 1.00 51.34 H new ATOM 0 HB3 ASP A 39 9.747 10.202 3.275 1.00 51.34 H new ATOM 620 N GLN A 40 10.827 6.696 0.983 1.00 11.42 N ATOM 621 CA GLN A 40 11.591 5.862 0.070 1.00 53.24 C ATOM 622 C GLN A 40 10.661 4.894 -0.678 1.00 14.04 C ATOM 623 O GLN A 40 11.135 3.935 -1.284 1.00 51.44 O ATOM 624 CB GLN A 40 12.726 5.157 0.820 1.00 22.43 C ATOM 625 CG GLN A 40 13.786 6.162 1.286 1.00 32.11 C ATOM 626 CD GLN A 40 15.037 5.432 1.746 1.00 41.43 C ATOM 627 OE1 GLN A 40 16.042 5.402 1.043 1.00 51.32 O ATOM 628 NE2 GLN A 40 14.984 4.811 2.909 1.00 22.25 N ATOM 0 H GLN A 40 10.660 6.236 1.878 1.00 11.42 H new ATOM 0 HA GLN A 40 12.061 6.485 -0.691 1.00 53.24 H new ATOM 0 HB2 GLN A 40 12.322 4.624 1.681 1.00 22.43 H new ATOM 0 HB3 GLN A 40 13.187 4.412 0.172 1.00 22.43 H new ATOM 0 HG2 GLN A 40 14.033 6.844 0.473 1.00 32.11 H new ATOM 0 HG3 GLN A 40 13.390 6.768 2.101 1.00 32.11 H new ATOM 0 HE21 GLN A 40 14.134 4.854 3.472 1.00 22.25 H new ATOM 0 HE22 GLN A 40 15.793 4.288 3.245 1.00 22.25 H new ATOM 637 N GLN A 41 9.338 5.012 -0.523 1.00 22.44 N ATOM 638 CA GLN A 41 8.366 4.166 -1.203 1.00 3.31 C ATOM 639 C GLN A 41 7.355 5.047 -1.926 1.00 41.43 C ATOM 640 O GLN A 41 7.249 6.252 -1.671 1.00 12.22 O ATOM 641 CB GLN A 41 7.618 3.225 -0.235 1.00 75.50 C ATOM 642 CG GLN A 41 8.361 1.933 0.119 1.00 62.45 C ATOM 643 CD GLN A 41 9.179 2.053 1.398 1.00 13.13 C ATOM 644 OE1 GLN A 41 10.391 2.571 1.335 1.00 3.24 O flip ATOM 645 NE2 GLN A 41 8.718 1.678 2.468 1.00 11.42 N flip ATOM 0 H GLN A 41 8.912 5.709 0.088 1.00 22.44 H new ATOM 0 HA GLN A 41 8.914 3.541 -1.908 1.00 3.31 H new ATOM 0 HB2 GLN A 41 7.408 3.769 0.686 1.00 75.50 H new ATOM 0 HB3 GLN A 41 6.657 2.963 -0.677 1.00 75.50 H new ATOM 0 HG2 GLN A 41 7.640 1.123 0.229 1.00 62.45 H new ATOM 0 HG3 GLN A 41 9.021 1.662 -0.705 1.00 62.45 H new ATOM 0 HE21 GLN A 41 7.780 1.279 2.507 1.00 11.42 H new ATOM 0 HE22 GLN A 41 9.272 1.765 3.320 1.00 11.42 H new ATOM 654 N ARG A 42 6.622 4.452 -2.868 1.00 44.25 N ATOM 655 CA ARG A 42 5.574 5.114 -3.635 1.00 43.23 C ATOM 656 C ARG A 42 4.521 4.055 -3.886 1.00 62.40 C ATOM 657 O ARG A 42 4.860 2.934 -4.281 1.00 44.04 O ATOM 658 CB ARG A 42 6.086 5.705 -4.965 1.00 12.34 C ATOM 659 CG ARG A 42 7.150 6.777 -4.740 1.00 44.53 C ATOM 660 CD ARG A 42 7.473 7.598 -5.988 1.00 14.43 C ATOM 661 NE ARG A 42 8.401 8.679 -5.632 1.00 2.21 N ATOM 662 CZ ARG A 42 8.745 9.707 -6.412 1.00 5.45 C ATOM 663 NH1 ARG A 42 8.387 9.758 -7.687 1.00 12.12 N ATOM 664 NH2 ARG A 42 9.457 10.705 -5.918 1.00 3.54 N ATOM 0 H ARG A 42 6.746 3.472 -3.123 1.00 44.25 H new ATOM 0 HA ARG A 42 5.181 5.966 -3.080 1.00 43.23 H new ATOM 0 HB2 ARG A 42 6.500 4.907 -5.581 1.00 12.34 H new ATOM 0 HB3 ARG A 42 5.250 6.134 -5.517 1.00 12.34 H new ATOM 0 HG2 ARG A 42 6.813 7.450 -3.951 1.00 44.53 H new ATOM 0 HG3 ARG A 42 8.063 6.300 -4.384 1.00 44.53 H new ATOM 0 HD2 ARG A 42 7.916 6.960 -6.752 1.00 14.43 H new ATOM 0 HD3 ARG A 42 6.558 8.013 -6.411 1.00 14.43 H new ATOM 0 HE ARG A 42 8.822 8.641 -4.704 1.00 2.21 H new ATOM 0 HH11 ARG A 42 7.836 9.001 -8.093 1.00 12.12 H new ATOM 0 HH12 ARG A 42 8.662 10.554 -8.262 1.00 12.12 H new ATOM 0 HH21 ARG A 42 9.745 10.691 -4.940 1.00 3.54 H new ATOM 0 HH22 ARG A 42 9.719 11.489 -6.515 1.00 3.54 H new ATOM 678 N LEU A 43 3.259 4.417 -3.706 1.00 61.33 N ATOM 679 CA LEU A 43 2.107 3.552 -3.904 1.00 30.10 C ATOM 680 C LEU A 43 1.284 4.198 -5.000 1.00 24.30 C ATOM 681 O LEU A 43 1.018 5.402 -4.937 1.00 4.21 O ATOM 682 CB LEU A 43 1.276 3.427 -2.612 1.00 14.53 C ATOM 683 CG LEU A 43 1.803 2.373 -1.620 1.00 71.40 C ATOM 684 CD1 LEU A 43 1.124 2.556 -0.258 1.00 21.42 C ATOM 685 CD2 LEU A 43 1.521 0.949 -2.122 1.00 70.23 C ATOM 0 H LEU A 43 3.001 5.357 -3.407 1.00 61.33 H new ATOM 0 HA LEU A 43 2.418 2.543 -4.174 1.00 30.10 H new ATOM 0 HB2 LEU A 43 1.251 4.397 -2.115 1.00 14.53 H new ATOM 0 HB3 LEU A 43 0.249 3.178 -2.877 1.00 14.53 H new ATOM 0 HG LEU A 43 2.880 2.510 -1.528 1.00 71.40 H new ATOM 0 HD11 LEU A 43 1.500 1.808 0.440 1.00 21.42 H new ATOM 0 HD12 LEU A 43 1.342 3.553 0.126 1.00 21.42 H new ATOM 0 HD13 LEU A 43 0.046 2.438 -0.370 1.00 21.42 H new ATOM 0 HD21 LEU A 43 1.904 0.227 -1.401 1.00 70.23 H new ATOM 0 HD22 LEU A 43 0.446 0.810 -2.238 1.00 70.23 H new ATOM 0 HD23 LEU A 43 2.012 0.798 -3.083 1.00 70.23 H new ATOM 697 N ILE A 44 0.878 3.414 -5.994 1.00 22.44 N ATOM 698 CA ILE A 44 0.074 3.871 -7.119 1.00 11.32 C ATOM 699 C ILE A 44 -1.061 2.878 -7.362 1.00 34.23 C ATOM 700 O ILE A 44 -0.879 1.657 -7.273 1.00 65.31 O ATOM 701 CB ILE A 44 0.937 4.132 -8.374 1.00 2.41 C ATOM 702 CG1 ILE A 44 1.729 2.882 -8.819 1.00 62.03 C ATOM 703 CG2 ILE A 44 1.808 5.375 -8.152 1.00 61.23 C ATOM 704 CD1 ILE A 44 2.735 3.114 -9.948 1.00 54.11 C ATOM 0 H ILE A 44 1.105 2.421 -6.039 1.00 22.44 H new ATOM 0 HA ILE A 44 -0.372 4.836 -6.878 1.00 11.32 H new ATOM 0 HB ILE A 44 0.279 4.343 -9.217 1.00 2.41 H new ATOM 0 HG12 ILE A 44 2.262 2.483 -7.956 1.00 62.03 H new ATOM 0 HG13 ILE A 44 1.020 2.117 -9.137 1.00 62.03 H new ATOM 0 HG21 ILE A 44 2.416 5.557 -9.039 1.00 61.23 H new ATOM 0 HG22 ILE A 44 1.169 6.239 -7.967 1.00 61.23 H new ATOM 0 HG23 ILE A 44 2.459 5.214 -7.293 1.00 61.23 H new ATOM 0 HD11 ILE A 44 3.238 2.177 -10.186 1.00 54.11 H new ATOM 0 HD12 ILE A 44 2.212 3.480 -10.832 1.00 54.11 H new ATOM 0 HD13 ILE A 44 3.473 3.851 -9.632 1.00 54.11 H new ATOM 716 N PHE A 45 -2.237 3.416 -7.673 1.00 10.24 N ATOM 717 CA PHE A 45 -3.455 2.659 -7.950 1.00 25.24 C ATOM 718 C PHE A 45 -4.228 3.306 -9.092 1.00 25.51 C ATOM 719 O PHE A 45 -4.294 4.530 -9.148 1.00 33.24 O ATOM 720 CB PHE A 45 -4.331 2.594 -6.694 1.00 72.51 C ATOM 721 CG PHE A 45 -5.572 1.760 -6.878 1.00 51.32 C ATOM 722 CD1 PHE A 45 -5.434 0.372 -7.029 1.00 40.43 C ATOM 723 CD2 PHE A 45 -6.846 2.353 -6.924 1.00 55.54 C ATOM 724 CE1 PHE A 45 -6.561 -0.422 -7.264 1.00 64.25 C ATOM 725 CE2 PHE A 45 -7.979 1.549 -7.134 1.00 2.33 C ATOM 726 CZ PHE A 45 -7.839 0.162 -7.313 1.00 64.44 C ATOM 0 H PHE A 45 -2.373 4.425 -7.742 1.00 10.24 H new ATOM 0 HA PHE A 45 -3.179 1.646 -8.242 1.00 25.24 H new ATOM 0 HB2 PHE A 45 -3.745 2.185 -5.871 1.00 72.51 H new ATOM 0 HB3 PHE A 45 -4.620 3.605 -6.408 1.00 72.51 H new ATOM 0 HD1 PHE A 45 -4.457 -0.084 -6.964 1.00 40.43 H new ATOM 0 HD2 PHE A 45 -6.953 3.420 -6.799 1.00 55.54 H new ATOM 0 HE1 PHE A 45 -6.449 -1.486 -7.408 1.00 64.25 H new ATOM 0 HE2 PHE A 45 -8.961 1.998 -7.158 1.00 2.33 H new ATOM 0 HZ PHE A 45 -8.710 -0.453 -7.487 1.00 64.44 H new ATOM 736 N ALA A 46 -4.799 2.505 -9.998 1.00 3.52 N ATOM 737 CA ALA A 46 -5.588 2.949 -11.150 1.00 22.10 C ATOM 738 C ALA A 46 -4.859 3.983 -12.026 1.00 55.23 C ATOM 739 O ALA A 46 -5.491 4.813 -12.689 1.00 33.22 O ATOM 740 CB ALA A 46 -6.951 3.452 -10.645 1.00 65.23 C ATOM 0 H ALA A 46 -4.720 1.489 -9.946 1.00 3.52 H new ATOM 0 HA ALA A 46 -5.742 2.100 -11.816 1.00 22.10 H new ATOM 0 HB1 ALA A 46 -7.551 3.787 -11.491 1.00 65.23 H new ATOM 0 HB2 ALA A 46 -7.469 2.643 -10.130 1.00 65.23 H new ATOM 0 HB3 ALA A 46 -6.800 4.283 -9.956 1.00 65.23 H new ATOM 746 N GLY A 47 -3.528 3.918 -12.094 1.00 52.42 N ATOM 747 CA GLY A 47 -2.721 4.853 -12.870 1.00 73.42 C ATOM 748 C GLY A 47 -2.624 6.209 -12.167 1.00 65.30 C ATOM 749 O GLY A 47 -2.298 7.201 -12.811 1.00 10.11 O ATOM 0 H GLY A 47 -2.979 3.209 -11.608 1.00 52.42 H new ATOM 0 HA2 GLY A 47 -1.722 4.443 -13.015 1.00 73.42 H new ATOM 0 HA3 GLY A 47 -3.159 4.983 -13.859 1.00 73.42 H new ATOM 753 N LYS A 48 -2.934 6.285 -10.869 1.00 44.45 N ATOM 754 CA LYS A 48 -2.924 7.497 -10.055 1.00 63.50 C ATOM 755 C LYS A 48 -2.064 7.278 -8.814 1.00 72.53 C ATOM 756 O LYS A 48 -1.708 6.142 -8.486 1.00 11.24 O ATOM 757 CB LYS A 48 -4.371 7.828 -9.639 1.00 53.43 C ATOM 758 CG LYS A 48 -5.340 8.004 -10.822 1.00 60.55 C ATOM 759 CD LYS A 48 -6.783 7.719 -10.410 1.00 12.40 C ATOM 760 CE LYS A 48 -7.696 7.858 -11.628 1.00 71.51 C ATOM 761 NZ LYS A 48 -9.122 7.828 -11.258 1.00 54.10 N ATOM 0 H LYS A 48 -3.212 5.462 -10.335 1.00 44.45 H new ATOM 0 HA LYS A 48 -2.507 8.325 -10.629 1.00 63.50 H new ATOM 0 HB2 LYS A 48 -4.743 7.032 -8.994 1.00 53.43 H new ATOM 0 HB3 LYS A 48 -4.367 8.743 -9.047 1.00 53.43 H new ATOM 0 HG2 LYS A 48 -5.265 9.021 -11.207 1.00 60.55 H new ATOM 0 HG3 LYS A 48 -5.053 7.334 -11.632 1.00 60.55 H new ATOM 0 HD2 LYS A 48 -6.863 6.714 -9.995 1.00 12.40 H new ATOM 0 HD3 LYS A 48 -7.093 8.412 -9.628 1.00 12.40 H new ATOM 0 HE2 LYS A 48 -7.475 8.794 -12.141 1.00 71.51 H new ATOM 0 HE3 LYS A 48 -7.487 7.052 -12.331 1.00 71.51 H new ATOM 0 HZ1 LYS A 48 -9.705 7.925 -12.114 1.00 54.10 H new ATOM 0 HZ2 LYS A 48 -9.341 6.925 -10.791 1.00 54.10 H new ATOM 0 HZ3 LYS A 48 -9.328 8.613 -10.608 1.00 54.10 H new ATOM 775 N GLN A 49 -1.730 8.358 -8.117 1.00 22.20 N ATOM 776 CA GLN A 49 -0.924 8.342 -6.907 1.00 32.10 C ATOM 777 C GLN A 49 -1.829 8.286 -5.677 1.00 0.22 C ATOM 778 O GLN A 49 -2.775 9.073 -5.545 1.00 54.45 O ATOM 779 CB GLN A 49 -0.071 9.621 -6.842 1.00 73.33 C ATOM 780 CG GLN A 49 1.104 9.670 -7.831 1.00 44.22 C ATOM 781 CD GLN A 49 2.308 8.813 -7.434 1.00 65.44 C ATOM 782 OE1 GLN A 49 2.463 8.368 -6.299 1.00 22.10 O ATOM 783 NE2 GLN A 49 3.206 8.571 -8.369 1.00 34.03 N ATOM 0 H GLN A 49 -2.023 9.297 -8.389 1.00 22.20 H new ATOM 0 HA GLN A 49 -0.278 7.464 -6.923 1.00 32.10 H new ATOM 0 HB2 GLN A 49 -0.717 10.480 -7.026 1.00 73.33 H new ATOM 0 HB3 GLN A 49 0.321 9.727 -5.830 1.00 73.33 H new ATOM 0 HG2 GLN A 49 0.751 9.346 -8.810 1.00 44.22 H new ATOM 0 HG3 GLN A 49 1.430 10.705 -7.936 1.00 44.22 H new ATOM 0 HE21 GLN A 49 3.075 8.942 -9.310 1.00 34.03 H new ATOM 0 HE22 GLN A 49 4.032 8.013 -8.151 1.00 34.03 H new ATOM 792 N LEU A 50 -1.513 7.375 -4.753 1.00 60.32 N ATOM 793 CA LEU A 50 -2.272 7.250 -3.508 1.00 1.12 C ATOM 794 C LEU A 50 -1.884 8.411 -2.596 1.00 3.43 C ATOM 795 O LEU A 50 -0.692 8.595 -2.323 1.00 55.24 O ATOM 796 CB LEU A 50 -1.878 5.989 -2.711 1.00 2.33 C ATOM 797 CG LEU A 50 -2.525 4.667 -3.116 1.00 54.20 C ATOM 798 CD1 LEU A 50 -4.023 4.639 -2.874 1.00 2.52 C ATOM 799 CD2 LEU A 50 -2.279 4.341 -4.578 1.00 2.22 C ATOM 0 H LEU A 50 -0.740 6.716 -4.844 1.00 60.32 H new ATOM 0 HA LEU A 50 -3.328 7.221 -3.778 1.00 1.12 H new ATOM 0 HB2 LEU A 50 -0.797 5.870 -2.783 1.00 2.33 H new ATOM 0 HB3 LEU A 50 -2.110 6.169 -1.661 1.00 2.33 H new ATOM 0 HG LEU A 50 -2.051 3.919 -2.480 1.00 54.20 H new ATOM 0 HD11 LEU A 50 -4.423 3.673 -3.182 1.00 2.52 H new ATOM 0 HD12 LEU A 50 -4.223 4.793 -1.814 1.00 2.52 H new ATOM 0 HD13 LEU A 50 -4.500 5.431 -3.452 1.00 2.52 H new ATOM 0 HD21 LEU A 50 -2.756 3.393 -4.825 1.00 2.22 H new ATOM 0 HD22 LEU A 50 -2.697 5.131 -5.202 1.00 2.22 H new ATOM 0 HD23 LEU A 50 -1.207 4.265 -4.758 1.00 2.22 H new ATOM 811 N GLU A 51 -2.851 9.226 -2.181 1.00 35.04 N ATOM 812 CA GLU A 51 -2.585 10.322 -1.256 1.00 62.33 C ATOM 813 C GLU A 51 -2.477 9.700 0.146 1.00 24.10 C ATOM 814 O GLU A 51 -2.842 8.538 0.371 1.00 42.31 O ATOM 815 CB GLU A 51 -3.719 11.356 -1.288 1.00 50.05 C ATOM 816 CG GLU A 51 -3.621 12.330 -2.468 1.00 33.32 C ATOM 817 CD GLU A 51 -4.725 13.392 -2.461 1.00 34.42 C ATOM 818 OE1 GLU A 51 -5.396 13.592 -1.425 1.00 4.41 O ATOM 819 OE2 GLU A 51 -4.943 14.028 -3.522 1.00 52.32 O ATOM 0 H GLU A 51 -3.826 9.147 -2.471 1.00 35.04 H new ATOM 0 HA GLU A 51 -1.668 10.842 -1.533 1.00 62.33 H new ATOM 0 HB2 GLU A 51 -4.675 10.835 -1.335 1.00 50.05 H new ATOM 0 HB3 GLU A 51 -3.711 11.923 -0.357 1.00 50.05 H new ATOM 0 HG2 GLU A 51 -2.649 12.824 -2.445 1.00 33.32 H new ATOM 0 HG3 GLU A 51 -3.671 11.768 -3.401 1.00 33.32 H new ATOM 826 N ASP A 52 -1.839 10.405 1.071 1.00 23.10 N ATOM 827 CA ASP A 52 -1.687 9.962 2.456 1.00 73.05 C ATOM 828 C ASP A 52 -2.983 10.228 3.237 1.00 53.24 C ATOM 829 O ASP A 52 -3.756 11.121 2.888 1.00 20.22 O ATOM 830 CB ASP A 52 -0.486 10.645 3.120 1.00 41.35 C ATOM 831 CG ASP A 52 -0.656 12.158 3.224 1.00 22.34 C ATOM 832 OD1 ASP A 52 -1.198 12.637 4.242 1.00 71.32 O ATOM 833 OD2 ASP A 52 -0.218 12.865 2.287 1.00 21.12 O ATOM 0 H ASP A 52 -1.407 11.310 0.882 1.00 23.10 H new ATOM 0 HA ASP A 52 -1.496 8.889 2.463 1.00 73.05 H new ATOM 0 HB2 ASP A 52 -0.342 10.230 4.117 1.00 41.35 H new ATOM 0 HB3 ASP A 52 0.415 10.423 2.549 1.00 41.35 H new ATOM 838 N GLY A 53 -3.286 9.384 4.229 1.00 2.51 N ATOM 839 CA GLY A 53 -4.465 9.565 5.080 1.00 44.21 C ATOM 840 C GLY A 53 -5.833 9.288 4.449 1.00 44.12 C ATOM 841 O GLY A 53 -6.848 9.622 5.069 1.00 14.23 O ATOM 0 H GLY A 53 -2.726 8.564 4.463 1.00 2.51 H new ATOM 0 HA2 GLY A 53 -4.357 8.917 5.950 1.00 44.21 H new ATOM 0 HA3 GLY A 53 -4.463 10.592 5.446 1.00 44.21 H new ATOM 845 N ARG A 54 -5.900 8.734 3.234 1.00 32.22 N ATOM 846 CA ARG A 54 -7.189 8.452 2.593 1.00 2.44 C ATOM 847 C ARG A 54 -7.666 7.091 3.080 1.00 23.52 C ATOM 848 O ARG A 54 -6.834 6.206 3.300 1.00 52.23 O ATOM 849 CB ARG A 54 -7.030 8.472 1.067 1.00 22.44 C ATOM 850 CG ARG A 54 -6.337 9.731 0.516 1.00 45.05 C ATOM 851 CD ARG A 54 -6.894 11.077 1.009 1.00 24.54 C ATOM 852 NE ARG A 54 -8.293 11.261 0.596 1.00 22.50 N ATOM 853 CZ ARG A 54 -8.723 11.900 -0.495 1.00 55.12 C ATOM 854 NH1 ARG A 54 -7.895 12.556 -1.293 1.00 63.21 N ATOM 855 NH2 ARG A 54 -10.005 11.858 -0.824 1.00 71.45 N ATOM 0 H ARG A 54 -5.085 8.474 2.679 1.00 32.22 H new ATOM 0 HA ARG A 54 -7.926 9.211 2.855 1.00 2.44 H new ATOM 0 HB2 ARG A 54 -6.459 7.595 0.762 1.00 22.44 H new ATOM 0 HB3 ARG A 54 -8.016 8.385 0.610 1.00 22.44 H new ATOM 0 HG2 ARG A 54 -5.279 9.682 0.774 1.00 45.05 H new ATOM 0 HG3 ARG A 54 -6.401 9.710 -0.572 1.00 45.05 H new ATOM 0 HD2 ARG A 54 -6.824 11.125 2.096 1.00 24.54 H new ATOM 0 HD3 ARG A 54 -6.286 11.891 0.614 1.00 24.54 H new ATOM 0 HE ARG A 54 -9.007 10.860 1.204 1.00 22.50 H new ATOM 0 HH11 ARG A 54 -6.897 12.583 -1.082 1.00 63.21 H new ATOM 0 HH12 ARG A 54 -8.255 13.034 -2.119 1.00 63.21 H new ATOM 0 HH21 ARG A 54 -10.664 11.338 -0.244 1.00 71.45 H new ATOM 0 HH22 ARG A 54 -10.334 12.346 -1.657 1.00 71.45 H new ATOM 869 N THR A 55 -8.978 6.869 3.165 1.00 10.43 N ATOM 870 CA THR A 55 -9.482 5.593 3.664 1.00 14.54 C ATOM 871 C THR A 55 -10.141 4.787 2.557 1.00 53.44 C ATOM 872 O THR A 55 -10.597 5.345 1.558 1.00 24.00 O ATOM 873 CB THR A 55 -10.340 5.807 4.934 1.00 33.34 C ATOM 874 OG1 THR A 55 -11.730 5.747 4.703 1.00 73.22 O ATOM 875 CG2 THR A 55 -10.090 7.128 5.669 1.00 53.34 C ATOM 0 H THR A 55 -9.697 7.542 2.900 1.00 10.43 H new ATOM 0 HA THR A 55 -8.649 4.969 3.987 1.00 14.54 H new ATOM 0 HB THR A 55 -10.012 4.972 5.553 1.00 33.34 H new ATOM 0 HG1 THR A 55 -12.208 5.889 5.547 1.00 73.22 H new ATOM 0 HG21 THR A 55 -10.737 7.186 6.544 1.00 53.34 H new ATOM 0 HG22 THR A 55 -9.048 7.177 5.985 1.00 53.34 H new ATOM 0 HG23 THR A 55 -10.307 7.962 5.002 1.00 53.34 H new ATOM 883 N LEU A 56 -10.220 3.467 2.712 1.00 72.53 N ATOM 884 CA LEU A 56 -10.845 2.593 1.729 1.00 21.40 C ATOM 885 C LEU A 56 -12.340 2.903 1.646 1.00 53.14 C ATOM 886 O LEU A 56 -12.918 2.838 0.566 1.00 23.52 O ATOM 887 CB LEU A 56 -10.638 1.108 2.085 1.00 30.02 C ATOM 888 CG LEU A 56 -9.171 0.653 2.200 1.00 13.24 C ATOM 889 CD1 LEU A 56 -9.117 -0.780 2.733 1.00 44.31 C ATOM 890 CD2 LEU A 56 -8.429 0.700 0.860 1.00 3.43 C ATOM 0 H LEU A 56 -9.851 2.975 3.526 1.00 72.53 H new ATOM 0 HA LEU A 56 -10.375 2.775 0.763 1.00 21.40 H new ATOM 0 HB2 LEU A 56 -11.138 0.906 3.032 1.00 30.02 H new ATOM 0 HB3 LEU A 56 -11.131 0.498 1.328 1.00 30.02 H new ATOM 0 HG LEU A 56 -8.679 1.346 2.882 1.00 13.24 H new ATOM 0 HD11 LEU A 56 -8.078 -1.099 2.813 1.00 44.31 H new ATOM 0 HD12 LEU A 56 -9.586 -0.820 3.716 1.00 44.31 H new ATOM 0 HD13 LEU A 56 -9.648 -1.443 2.050 1.00 44.31 H new ATOM 0 HD21 LEU A 56 -7.400 0.369 1.002 1.00 3.43 H new ATOM 0 HD22 LEU A 56 -8.926 0.044 0.146 1.00 3.43 H new ATOM 0 HD23 LEU A 56 -8.432 1.721 0.478 1.00 3.43 H new ATOM 902 N SER A 57 -12.997 3.157 2.779 1.00 40.02 N ATOM 903 CA SER A 57 -14.410 3.476 2.844 1.00 33.11 C ATOM 904 C SER A 57 -14.688 4.856 2.241 1.00 55.32 C ATOM 905 O SER A 57 -15.575 4.997 1.396 1.00 21.05 O ATOM 906 CB SER A 57 -14.861 3.374 4.310 1.00 50.25 C ATOM 907 OG SER A 57 -16.269 3.326 4.396 1.00 61.43 O ATOM 0 H SER A 57 -12.544 3.144 3.693 1.00 40.02 H new ATOM 0 HA SER A 57 -14.986 2.767 2.250 1.00 33.11 H new ATOM 0 HB2 SER A 57 -14.433 2.481 4.766 1.00 50.25 H new ATOM 0 HB3 SER A 57 -14.486 4.230 4.871 1.00 50.25 H new ATOM 0 HG SER A 57 -16.537 3.259 5.336 1.00 61.43 H new ATOM 913 N ASP A 58 -13.890 5.856 2.618 1.00 3.42 N ATOM 914 CA ASP A 58 -14.003 7.245 2.179 1.00 51.22 C ATOM 915 C ASP A 58 -13.669 7.404 0.694 1.00 43.34 C ATOM 916 O ASP A 58 -14.375 8.099 -0.035 1.00 42.21 O ATOM 917 CB ASP A 58 -13.086 8.073 3.086 1.00 62.33 C ATOM 918 CG ASP A 58 -13.116 9.581 2.879 1.00 40.53 C ATOM 919 OD1 ASP A 58 -13.949 10.138 2.132 1.00 62.20 O ATOM 920 OD2 ASP A 58 -12.224 10.245 3.458 1.00 72.53 O ATOM 0 H ASP A 58 -13.115 5.713 3.265 1.00 3.42 H new ATOM 0 HA ASP A 58 -15.031 7.597 2.269 1.00 51.22 H new ATOM 0 HB2 ASP A 58 -13.351 7.865 4.123 1.00 62.33 H new ATOM 0 HB3 ASP A 58 -12.062 7.728 2.943 1.00 62.33 H new ATOM 925 N TYR A 59 -12.642 6.710 0.198 1.00 12.32 N ATOM 926 CA TYR A 59 -12.217 6.755 -1.201 1.00 42.10 C ATOM 927 C TYR A 59 -13.021 5.726 -2.021 1.00 45.33 C ATOM 928 O TYR A 59 -12.845 5.603 -3.236 1.00 23.42 O ATOM 929 CB TYR A 59 -10.696 6.524 -1.243 1.00 2.31 C ATOM 930 CG TYR A 59 -9.923 7.013 -2.458 1.00 12.12 C ATOM 931 CD1 TYR A 59 -9.904 6.271 -3.652 1.00 23.10 C ATOM 932 CD2 TYR A 59 -9.091 8.142 -2.342 1.00 52.45 C ATOM 933 CE1 TYR A 59 -9.070 6.641 -4.719 1.00 63.31 C ATOM 934 CE2 TYR A 59 -8.226 8.497 -3.391 1.00 12.12 C ATOM 935 CZ TYR A 59 -8.223 7.764 -4.599 1.00 71.11 C ATOM 936 OH TYR A 59 -7.396 8.115 -5.627 1.00 20.23 O ATOM 0 H TYR A 59 -12.071 6.088 0.771 1.00 12.32 H new ATOM 0 HA TYR A 59 -12.419 7.725 -1.655 1.00 42.10 H new ATOM 0 HB2 TYR A 59 -10.264 6.998 -0.362 1.00 2.31 H new ATOM 0 HB3 TYR A 59 -10.520 5.453 -1.147 1.00 2.31 H new ATOM 0 HD1 TYR A 59 -10.540 5.404 -3.750 1.00 23.10 H new ATOM 0 HD2 TYR A 59 -9.117 8.739 -1.442 1.00 52.45 H new ATOM 0 HE1 TYR A 59 -9.076 6.066 -5.633 1.00 63.31 H new ATOM 0 HE2 TYR A 59 -7.558 9.337 -3.273 1.00 12.12 H new ATOM 0 HH TYR A 59 -6.883 8.912 -5.377 1.00 20.23 H new ATOM 946 N ASN A 60 -13.938 4.986 -1.382 1.00 11.31 N ATOM 947 CA ASN A 60 -14.800 3.975 -1.991 1.00 11.41 C ATOM 948 C ASN A 60 -13.997 2.917 -2.769 1.00 64.01 C ATOM 949 O ASN A 60 -14.337 2.560 -3.900 1.00 23.52 O ATOM 950 CB ASN A 60 -15.874 4.696 -2.824 1.00 71.03 C ATOM 951 CG ASN A 60 -16.962 3.769 -3.336 1.00 23.51 C ATOM 952 OD1 ASN A 60 -17.265 2.734 -2.747 1.00 61.01 O ATOM 953 ND2 ASN A 60 -17.611 4.142 -4.420 1.00 35.31 N ATOM 0 H ASN A 60 -14.103 5.084 -0.380 1.00 11.31 H new ATOM 0 HA ASN A 60 -15.306 3.396 -1.219 1.00 11.41 H new ATOM 0 HB2 ASN A 60 -16.329 5.479 -2.217 1.00 71.03 H new ATOM 0 HB3 ASN A 60 -15.397 5.187 -3.672 1.00 71.03 H new ATOM 0 HD21 ASN A 60 -18.375 3.569 -4.780 1.00 35.31 H new ATOM 0 HD22 ASN A 60 -17.350 5.003 -4.900 1.00 35.31 H new ATOM 960 N ILE A 61 -12.871 2.456 -2.210 1.00 24.05 N ATOM 961 CA ILE A 61 -12.019 1.459 -2.862 1.00 43.14 C ATOM 962 C ILE A 61 -12.646 0.066 -2.831 1.00 23.35 C ATOM 963 O ILE A 61 -13.132 -0.395 -1.797 1.00 54.22 O ATOM 964 CB ILE A 61 -10.627 1.470 -2.199 1.00 72.12 C ATOM 965 CG1 ILE A 61 -9.890 2.768 -2.562 1.00 23.43 C ATOM 966 CG2 ILE A 61 -9.743 0.251 -2.524 1.00 2.21 C ATOM 967 CD1 ILE A 61 -9.427 2.872 -4.028 1.00 72.12 C ATOM 0 H ILE A 61 -12.528 2.762 -1.299 1.00 24.05 H new ATOM 0 HA ILE A 61 -11.914 1.722 -3.915 1.00 43.14 H new ATOM 0 HB ILE A 61 -10.811 1.413 -1.126 1.00 72.12 H new ATOM 0 HG12 ILE A 61 -10.545 3.612 -2.344 1.00 23.43 H new ATOM 0 HG13 ILE A 61 -9.018 2.865 -1.915 1.00 23.43 H new ATOM 0 HG21 ILE A 61 -8.785 0.349 -2.013 1.00 2.21 H new ATOM 0 HG22 ILE A 61 -10.241 -0.659 -2.190 1.00 2.21 H new ATOM 0 HG23 ILE A 61 -9.576 0.199 -3.600 1.00 2.21 H new ATOM 0 HD11 ILE A 61 -8.918 3.824 -4.182 1.00 72.12 H new ATOM 0 HD12 ILE A 61 -8.742 2.054 -4.252 1.00 72.12 H new ATOM 0 HD13 ILE A 61 -10.292 2.812 -4.688 1.00 72.12 H new ATOM 979 N GLN A 62 -12.555 -0.647 -3.957 1.00 35.02 N ATOM 980 CA GLN A 62 -13.076 -2.000 -4.121 1.00 62.20 C ATOM 981 C GLN A 62 -12.114 -3.010 -3.486 1.00 61.45 C ATOM 982 O GLN A 62 -10.935 -2.719 -3.270 1.00 64.15 O ATOM 983 CB GLN A 62 -13.189 -2.308 -5.627 1.00 73.31 C ATOM 984 CG GLN A 62 -14.339 -1.581 -6.339 1.00 74.41 C ATOM 985 CD GLN A 62 -15.727 -2.108 -5.970 1.00 34.22 C ATOM 986 OE1 GLN A 62 -15.894 -3.044 -5.189 1.00 44.02 O ATOM 987 NE2 GLN A 62 -16.772 -1.484 -6.480 1.00 25.12 N ATOM 0 H GLN A 62 -12.105 -0.287 -4.799 1.00 35.02 H new ATOM 0 HA GLN A 62 -14.051 -2.073 -3.639 1.00 62.20 H new ATOM 0 HB2 GLN A 62 -12.250 -2.040 -6.112 1.00 73.31 H new ATOM 0 HB3 GLN A 62 -13.319 -3.382 -5.757 1.00 73.31 H new ATOM 0 HG2 GLN A 62 -14.289 -0.519 -6.099 1.00 74.41 H new ATOM 0 HG3 GLN A 62 -14.201 -1.671 -7.416 1.00 74.41 H new ATOM 0 HE21 GLN A 62 -16.636 -0.708 -7.128 1.00 25.12 H new ATOM 0 HE22 GLN A 62 -17.715 -1.778 -6.227 1.00 25.12 H new ATOM 996 N LYS A 63 -12.613 -4.207 -3.172 1.00 13.33 N ATOM 997 CA LYS A 63 -11.824 -5.289 -2.579 1.00 14.01 C ATOM 998 C LYS A 63 -11.120 -6.074 -3.690 1.00 41.42 C ATOM 999 O LYS A 63 -11.483 -5.925 -4.860 1.00 43.32 O ATOM 1000 CB LYS A 63 -12.689 -6.180 -1.658 1.00 51.45 C ATOM 1001 CG LYS A 63 -13.941 -6.860 -2.246 1.00 32.02 C ATOM 1002 CD LYS A 63 -15.196 -5.965 -2.249 1.00 23.14 C ATOM 1003 CE LYS A 63 -16.453 -6.700 -2.727 1.00 64.34 C ATOM 1004 NZ LYS A 63 -16.298 -7.231 -4.096 1.00 52.34 N ATOM 0 H LYS A 63 -13.590 -4.456 -3.325 1.00 13.33 H new ATOM 0 HA LYS A 63 -11.053 -4.867 -1.934 1.00 14.01 H new ATOM 0 HB2 LYS A 63 -12.046 -6.963 -1.257 1.00 51.45 H new ATOM 0 HB3 LYS A 63 -13.011 -5.569 -0.815 1.00 51.45 H new ATOM 0 HG2 LYS A 63 -13.727 -7.171 -3.268 1.00 32.02 H new ATOM 0 HG3 LYS A 63 -14.153 -7.764 -1.675 1.00 32.02 H new ATOM 0 HD2 LYS A 63 -15.366 -5.583 -1.242 1.00 23.14 H new ATOM 0 HD3 LYS A 63 -15.019 -5.103 -2.892 1.00 23.14 H new ATOM 0 HE2 LYS A 63 -16.675 -7.520 -2.044 1.00 64.34 H new ATOM 0 HE3 LYS A 63 -17.304 -6.020 -2.697 1.00 64.34 H new ATOM 0 HZ1 LYS A 63 -17.193 -7.661 -4.405 1.00 52.34 H new ATOM 0 HZ2 LYS A 63 -16.045 -6.456 -4.742 1.00 52.34 H new ATOM 0 HZ3 LYS A 63 -15.547 -7.950 -4.106 1.00 52.34 H new ATOM 1018 N GLU A 64 -10.130 -6.902 -3.342 1.00 60.31 N ATOM 1019 CA GLU A 64 -9.337 -7.743 -4.246 1.00 73.12 C ATOM 1020 C GLU A 64 -8.560 -6.937 -5.300 1.00 61.30 C ATOM 1021 O GLU A 64 -8.061 -7.512 -6.269 1.00 14.32 O ATOM 1022 CB GLU A 64 -10.224 -8.773 -4.972 1.00 22.00 C ATOM 1023 CG GLU A 64 -11.160 -9.598 -4.091 1.00 41.05 C ATOM 1024 CD GLU A 64 -12.167 -10.327 -4.975 1.00 24.03 C ATOM 1025 OE1 GLU A 64 -13.034 -9.638 -5.561 1.00 74.34 O ATOM 1026 OE2 GLU A 64 -12.113 -11.576 -5.042 1.00 11.20 O ATOM 0 H GLU A 64 -9.844 -7.010 -2.369 1.00 60.31 H new ATOM 0 HA GLU A 64 -8.615 -8.250 -3.607 1.00 73.12 H new ATOM 0 HB2 GLU A 64 -10.826 -8.245 -5.712 1.00 22.00 H new ATOM 0 HB3 GLU A 64 -9.576 -9.458 -5.519 1.00 22.00 H new ATOM 0 HG2 GLU A 64 -10.587 -10.316 -3.503 1.00 41.05 H new ATOM 0 HG3 GLU A 64 -11.680 -8.950 -3.385 1.00 41.05 H new ATOM 1033 N SER A 65 -8.408 -5.627 -5.132 1.00 21.22 N ATOM 1034 CA SER A 65 -7.688 -4.776 -6.068 1.00 20.11 C ATOM 1035 C SER A 65 -6.179 -4.966 -5.857 1.00 25.54 C ATOM 1036 O SER A 65 -5.770 -5.371 -4.760 1.00 73.13 O ATOM 1037 CB SER A 65 -8.131 -3.321 -5.876 1.00 10.24 C ATOM 1038 OG SER A 65 -9.535 -3.222 -5.667 1.00 5.15 O ATOM 0 H SER A 65 -8.787 -5.122 -4.331 1.00 21.22 H new ATOM 0 HA SER A 65 -7.915 -5.050 -7.098 1.00 20.11 H new ATOM 0 HB2 SER A 65 -7.605 -2.890 -5.024 1.00 10.24 H new ATOM 0 HB3 SER A 65 -7.851 -2.737 -6.753 1.00 10.24 H new ATOM 0 HG SER A 65 -9.712 -3.025 -4.723 1.00 5.15 H new ATOM 1044 N THR A 66 -5.355 -4.744 -6.884 1.00 25.12 N ATOM 1045 CA THR A 66 -3.897 -4.876 -6.807 1.00 73.41 C ATOM 1046 C THR A 66 -3.284 -3.478 -6.642 1.00 72.30 C ATOM 1047 O THR A 66 -3.712 -2.526 -7.296 1.00 53.54 O ATOM 1048 CB THR A 66 -3.365 -5.672 -8.022 1.00 30.55 C ATOM 1049 OG1 THR A 66 -1.970 -5.929 -7.964 1.00 11.13 O ATOM 1050 CG2 THR A 66 -3.644 -5.031 -9.382 1.00 31.04 C ATOM 0 H THR A 66 -5.687 -4.463 -7.807 1.00 25.12 H new ATOM 0 HA THR A 66 -3.597 -5.456 -5.935 1.00 73.41 H new ATOM 0 HB THR A 66 -3.929 -6.602 -7.944 1.00 30.55 H new ATOM 0 HG1 THR A 66 -1.725 -6.566 -8.667 1.00 11.13 H new ATOM 0 HG21 THR A 66 -3.234 -5.660 -10.172 1.00 31.04 H new ATOM 0 HG22 THR A 66 -4.720 -4.928 -9.522 1.00 31.04 H new ATOM 0 HG23 THR A 66 -3.177 -4.047 -9.423 1.00 31.04 H new ATOM 1058 N LEU A 67 -2.290 -3.355 -5.759 1.00 14.11 N ATOM 1059 CA LEU A 67 -1.564 -2.121 -5.459 1.00 14.15 C ATOM 1060 C LEU A 67 -0.116 -2.325 -5.885 1.00 72.40 C ATOM 1061 O LEU A 67 0.462 -3.378 -5.602 1.00 33.23 O ATOM 1062 CB LEU A 67 -1.617 -1.810 -3.950 1.00 13.33 C ATOM 1063 CG LEU A 67 -2.722 -0.822 -3.540 1.00 52.00 C ATOM 1064 CD1 LEU A 67 -2.933 -0.864 -2.022 1.00 42.51 C ATOM 1065 CD2 LEU A 67 -2.358 0.614 -3.926 1.00 45.24 C ATOM 0 H LEU A 67 -1.956 -4.147 -5.211 1.00 14.11 H new ATOM 0 HA LEU A 67 -2.017 -1.285 -5.992 1.00 14.15 H new ATOM 0 HB2 LEU A 67 -1.761 -2.743 -3.405 1.00 13.33 H new ATOM 0 HB3 LEU A 67 -0.653 -1.406 -3.641 1.00 13.33 H new ATOM 0 HG LEU A 67 -3.631 -1.120 -4.063 1.00 52.00 H new ATOM 0 HD11 LEU A 67 -3.718 -0.160 -1.744 1.00 42.51 H new ATOM 0 HD12 LEU A 67 -3.226 -1.871 -1.723 1.00 42.51 H new ATOM 0 HD13 LEU A 67 -2.006 -0.591 -1.518 1.00 42.51 H new ATOM 0 HD21 LEU A 67 -3.160 1.287 -3.622 1.00 45.24 H new ATOM 0 HD22 LEU A 67 -1.434 0.902 -3.426 1.00 45.24 H new ATOM 0 HD23 LEU A 67 -2.221 0.677 -5.006 1.00 45.24 H new ATOM 1077 N HIS A 68 0.466 -1.321 -6.540 1.00 71.21 N ATOM 1078 CA HIS A 68 1.838 -1.335 -7.014 1.00 21.13 C ATOM 1079 C HIS A 68 2.696 -0.540 -6.048 1.00 3.35 C ATOM 1080 O HIS A 68 2.574 0.688 -5.974 1.00 2.34 O ATOM 1081 CB HIS A 68 1.950 -0.735 -8.419 1.00 2.30 C ATOM 1082 CG HIS A 68 1.773 -1.748 -9.509 1.00 52.04 C ATOM 1083 ND1 HIS A 68 0.588 -2.338 -9.874 1.00 34.03 N ATOM 1084 CD2 HIS A 68 2.757 -2.220 -10.331 1.00 61.02 C ATOM 1085 CE1 HIS A 68 0.844 -3.145 -10.915 1.00 64.20 C ATOM 1086 NE2 HIS A 68 2.161 -3.125 -11.215 1.00 3.53 N ATOM 0 H HIS A 68 -0.023 -0.453 -6.759 1.00 71.21 H new ATOM 0 HA HIS A 68 2.180 -2.369 -7.066 1.00 21.13 H new ATOM 0 HB2 HIS A 68 1.200 0.048 -8.534 1.00 2.30 H new ATOM 0 HB3 HIS A 68 2.925 -0.260 -8.528 1.00 2.30 H new ATOM 0 HD2 HIS A 68 3.801 -1.945 -10.303 1.00 61.02 H new ATOM 0 HE1 HIS A 68 0.102 -3.728 -11.439 1.00 64.20 H new ATOM 0 HE2 HIS A 68 2.629 -3.664 -11.943 1.00 3.53 H new ATOM 1094 N LEU A 69 3.538 -1.247 -5.297 1.00 61.44 N ATOM 1095 CA LEU A 69 4.452 -0.641 -4.346 1.00 2.43 C ATOM 1096 C LEU A 69 5.820 -0.571 -5.016 1.00 21.33 C ATOM 1097 O LEU A 69 6.291 -1.545 -5.612 1.00 14.05 O ATOM 1098 CB LEU A 69 4.471 -1.420 -3.021 1.00 53.53 C ATOM 1099 CG LEU A 69 5.374 -0.729 -1.974 1.00 45.21 C ATOM 1100 CD1 LEU A 69 4.795 -0.878 -0.572 1.00 0.22 C ATOM 1101 CD2 LEU A 69 6.788 -1.319 -1.957 1.00 31.33 C ATOM 0 H LEU A 69 3.601 -2.264 -5.336 1.00 61.44 H new ATOM 0 HA LEU A 69 4.131 0.366 -4.079 1.00 2.43 H new ATOM 0 HB2 LEU A 69 3.456 -1.503 -2.631 1.00 53.53 H new ATOM 0 HB3 LEU A 69 4.828 -2.435 -3.199 1.00 53.53 H new ATOM 0 HG LEU A 69 5.421 0.322 -2.261 1.00 45.21 H new ATOM 0 HD11 LEU A 69 5.449 -0.383 0.146 1.00 0.22 H new ATOM 0 HD12 LEU A 69 3.806 -0.422 -0.536 1.00 0.22 H new ATOM 0 HD13 LEU A 69 4.716 -1.936 -0.322 1.00 0.22 H new ATOM 0 HD21 LEU A 69 7.388 -0.804 -1.207 1.00 31.33 H new ATOM 0 HD22 LEU A 69 6.736 -2.380 -1.714 1.00 31.33 H new ATOM 0 HD23 LEU A 69 7.247 -1.193 -2.938 1.00 31.33 H new ATOM 1113 N VAL A 70 6.446 0.593 -4.940 1.00 1.40 N ATOM 1114 CA VAL A 70 7.759 0.875 -5.491 1.00 33.02 C ATOM 1115 C VAL A 70 8.660 1.143 -4.291 1.00 31.10 C ATOM 1116 O VAL A 70 8.234 1.796 -3.337 1.00 64.14 O ATOM 1117 CB VAL A 70 7.654 2.052 -6.476 1.00 14.31 C ATOM 1118 CG1 VAL A 70 9.007 2.655 -6.872 1.00 4.55 C ATOM 1119 CG2 VAL A 70 6.924 1.594 -7.748 1.00 50.42 C ATOM 0 H VAL A 70 6.034 1.400 -4.472 1.00 1.40 H new ATOM 0 HA VAL A 70 8.179 0.053 -6.071 1.00 33.02 H new ATOM 0 HB VAL A 70 7.099 2.833 -5.956 1.00 14.31 H new ATOM 0 HG11 VAL A 70 8.848 3.479 -7.568 1.00 4.55 H new ATOM 0 HG12 VAL A 70 9.515 3.025 -5.981 1.00 4.55 H new ATOM 0 HG13 VAL A 70 9.621 1.890 -7.348 1.00 4.55 H new ATOM 0 HG21 VAL A 70 6.850 2.428 -8.445 1.00 50.42 H new ATOM 0 HG22 VAL A 70 7.480 0.780 -8.214 1.00 50.42 H new ATOM 0 HG23 VAL A 70 5.923 1.248 -7.489 1.00 50.42 H new ATOM 1129 N LEU A 71 9.866 0.578 -4.327 1.00 21.41 N ATOM 1130 CA LEU A 71 10.908 0.696 -3.312 1.00 52.01 C ATOM 1131 C LEU A 71 12.046 1.524 -3.905 1.00 15.22 C ATOM 1132 O LEU A 71 12.037 1.848 -5.096 1.00 24.30 O ATOM 1133 CB LEU A 71 11.419 -0.707 -2.914 1.00 64.34 C ATOM 1134 CG LEU A 71 10.487 -1.457 -1.950 1.00 22.42 C ATOM 1135 CD1 LEU A 71 10.804 -2.952 -1.946 1.00 65.40 C ATOM 1136 CD2 LEU A 71 10.602 -0.948 -0.508 1.00 54.15 C ATOM 0 H LEU A 71 10.157 -0.007 -5.110 1.00 21.41 H new ATOM 0 HA LEU A 71 10.516 1.180 -2.417 1.00 52.01 H new ATOM 0 HB2 LEU A 71 11.550 -1.305 -3.816 1.00 64.34 H new ATOM 0 HB3 LEU A 71 12.401 -0.608 -2.451 1.00 64.34 H new ATOM 0 HG LEU A 71 9.474 -1.277 -2.310 1.00 22.42 H new ATOM 0 HD11 LEU A 71 10.133 -3.464 -1.257 1.00 65.40 H new ATOM 0 HD12 LEU A 71 10.670 -3.355 -2.950 1.00 65.40 H new ATOM 0 HD13 LEU A 71 11.835 -3.104 -1.628 1.00 65.40 H new ATOM 0 HD21 LEU A 71 9.923 -1.511 0.132 1.00 54.15 H new ATOM 0 HD22 LEU A 71 11.625 -1.080 -0.156 1.00 54.15 H new ATOM 0 HD23 LEU A 71 10.340 0.109 -0.473 1.00 54.15 H new ATOM 1148 N ARG A 72 13.042 1.841 -3.081 1.00 14.20 N ATOM 1149 CA ARG A 72 14.221 2.612 -3.460 1.00 11.23 C ATOM 1150 C ARG A 72 15.480 1.748 -3.368 1.00 44.30 C ATOM 1151 O ARG A 72 16.493 2.106 -3.977 1.00 13.35 O ATOM 1152 CB ARG A 72 14.255 3.869 -2.574 1.00 73.21 C ATOM 1153 CG ARG A 72 15.144 4.991 -3.107 1.00 63.02 C ATOM 1154 CD ARG A 72 16.544 4.993 -2.492 1.00 61.25 C ATOM 1155 NE ARG A 72 17.405 5.945 -3.198 1.00 72.45 N ATOM 1156 CZ ARG A 72 18.044 5.715 -4.351 1.00 52.13 C ATOM 1157 NH1 ARG A 72 18.030 4.517 -4.934 1.00 41.52 N ATOM 1158 NH2 ARG A 72 18.707 6.713 -4.916 1.00 31.02 N ATOM 0 H ARG A 72 13.050 1.559 -2.101 1.00 14.20 H new ATOM 0 HA ARG A 72 14.178 2.933 -4.501 1.00 11.23 H new ATOM 0 HB2 ARG A 72 13.239 4.248 -2.463 1.00 73.21 H new ATOM 0 HB3 ARG A 72 14.601 3.589 -1.579 1.00 73.21 H new ATOM 0 HG2 ARG A 72 15.230 4.895 -4.189 1.00 63.02 H new ATOM 0 HG3 ARG A 72 14.666 5.950 -2.909 1.00 63.02 H new ATOM 0 HD2 ARG A 72 16.485 5.258 -1.436 1.00 61.25 H new ATOM 0 HD3 ARG A 72 16.974 3.993 -2.546 1.00 61.25 H new ATOM 0 HE ARG A 72 17.528 6.864 -2.773 1.00 72.45 H new ATOM 0 HH11 ARG A 72 17.523 3.745 -4.501 1.00 41.52 H new ATOM 0 HH12 ARG A 72 18.527 4.372 -5.813 1.00 41.52 H new ATOM 0 HH21 ARG A 72 18.722 7.631 -4.472 1.00 31.02 H new ATOM 0 HH22 ARG A 72 19.202 6.563 -5.795 1.00 31.02 H new