USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 13 THR OG1 : rot 180:sc= 0.125 USER MOD Set 1.2: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 17 CYS SG : rot 180:sc= -0.046! USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.645) USER MOD Single : A 12 MET CE :methyl -155:sc= -0.648 (180deg=-2.09) USER MOD Single : A 19 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0067) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.926 K(o=0.93,f=-0.19) USER MOD Single : A 37 ASN : amide:sc= -2.06! C(o=-2.1!,f=-2.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 44 THR OG1 : rot 46:sc= 0.515 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.07 K(o=1.1,f=-3.1) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0175) USER MOD Single : A 53 SER OG : rot 4:sc= 0.581 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0.597 (180deg=0.5) USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= 0.897 (180deg=-1!) USER MOD Single : A 66 TYR OH : rot 131:sc= 0.666 USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= 0.749 (180deg=-0.939!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -0.366 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.605 13.024 5.043 1.00 10.00 N ATOM 35 CA GLU A 3 2.398 13.286 3.632 1.00 10.00 C ATOM 36 C GLU A 3 1.466 12.180 3.146 1.00 10.00 C ATOM 37 O GLU A 3 1.437 11.106 3.756 1.00 10.00 O ATOM 38 CB GLU A 3 3.743 13.274 2.881 1.00 10.00 C ATOM 39 CG GLU A 3 4.384 11.873 2.827 1.00 10.00 C ATOM 40 CD GLU A 3 5.824 11.856 2.332 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.435 12.946 2.289 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.305 10.735 2.054 1.00 10.00 O ATOM 0 HA GLU A 3 1.962 14.269 3.452 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.590 13.638 1.865 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.432 13.965 3.367 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.351 11.433 3.824 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.782 11.237 2.178 1.00 10.00 H new ATOM 49 N LYS A 4 0.719 12.438 2.073 1.00 10.00 N ATOM 50 CA LYS A 4 -0.021 11.418 1.343 1.00 10.00 C ATOM 51 C LYS A 4 0.724 11.048 0.062 1.00 10.00 C ATOM 52 O LYS A 4 1.183 11.924 -0.671 1.00 10.00 O ATOM 53 CB LYS A 4 -1.452 11.852 1.016 1.00 10.00 C ATOM 54 CG LYS A 4 -2.263 12.226 2.264 1.00 10.00 C ATOM 55 CD LYS A 4 -3.763 12.221 1.916 1.00 10.00 C ATOM 56 CE LYS A 4 -4.517 11.053 2.562 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.870 11.344 3.965 1.00 10.00 N ATOM 0 H LYS A 4 0.612 13.375 1.684 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.093 10.545 1.992 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.422 12.706 0.339 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.959 11.045 0.488 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.062 11.518 3.068 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.965 13.211 2.624 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -4.210 13.161 2.241 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.880 12.169 0.834 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -5.424 10.846 1.994 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -3.902 10.154 2.520 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.176 10.468 4.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.040 11.730 4.459 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.643 12.039 3.991 1.00 10.00 H new ATOM 71 N ALA A 5 0.807 9.746 -0.205 1.00 10.00 N ATOM 72 CA ALA A 5 1.411 9.139 -1.376 1.00 10.00 C ATOM 73 C ALA A 5 0.388 8.189 -1.992 1.00 10.00 C ATOM 74 O ALA A 5 -0.455 7.663 -1.265 1.00 10.00 O ATOM 75 CB ALA A 5 2.649 8.379 -0.916 1.00 10.00 C ATOM 0 H ALA A 5 0.428 9.048 0.435 1.00 10.00 H new ATOM 0 HA ALA A 5 1.700 9.881 -2.120 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.128 7.909 -1.775 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.347 9.071 -0.445 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.359 7.612 -0.198 1.00 10.00 H new ATOM 81 N GLU A 6 0.436 7.963 -3.308 1.00 10.00 N ATOM 82 CA GLU A 6 -0.557 7.224 -4.042 1.00 10.00 C ATOM 83 C GLU A 6 0.228 6.210 -4.849 1.00 10.00 C ATOM 84 O GLU A 6 1.156 6.606 -5.556 1.00 10.00 O ATOM 85 CB GLU A 6 -1.294 8.196 -4.961 1.00 10.00 C ATOM 86 CG GLU A 6 -2.610 8.674 -4.342 1.00 10.00 C ATOM 87 CD GLU A 6 -3.356 9.619 -5.275 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.651 9.169 -6.402 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.608 10.770 -4.855 1.00 10.00 O ATOM 0 H GLU A 6 1.196 8.306 -3.896 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.295 6.735 -3.407 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -0.656 9.055 -5.168 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.496 7.711 -5.916 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -3.240 7.814 -4.114 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.407 9.179 -3.398 1.00 10.00 H new ATOM 96 N PHE A 7 -0.105 4.926 -4.717 1.00 10.00 N ATOM 97 CA PHE A 7 0.580 3.840 -5.401 1.00 10.00 C ATOM 98 C PHE A 7 -0.404 3.081 -6.283 1.00 10.00 C ATOM 99 O PHE A 7 -1.585 3.062 -5.967 1.00 10.00 O ATOM 100 CB PHE A 7 1.190 2.887 -4.378 1.00 10.00 C ATOM 101 CG PHE A 7 1.874 3.522 -3.182 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.677 4.665 -3.339 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.812 2.890 -1.928 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.343 5.220 -2.238 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.520 3.420 -0.841 1.00 10.00 C ATOM 106 CZ PHE A 7 3.250 4.611 -0.979 1.00 10.00 C ATOM 0 H PHE A 7 -0.871 4.611 -4.121 1.00 10.00 H new ATOM 0 HA PHE A 7 1.373 4.256 -6.023 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.401 2.231 -4.011 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.916 2.256 -4.891 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.781 5.118 -4.314 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.219 1.996 -1.802 1.00 10.00 H new ATOM 0 HE1 PHE A 7 3.929 6.119 -2.360 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.504 2.908 0.110 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.736 5.054 -0.122 1.00 10.00 H new ATOM 116 N ASP A 8 0.103 2.448 -7.340 1.00 10.00 N ATOM 117 CA ASP A 8 -0.587 1.717 -8.400 1.00 10.00 C ATOM 118 C ASP A 8 -0.510 0.252 -8.006 1.00 10.00 C ATOM 119 O ASP A 8 0.582 -0.166 -7.619 1.00 10.00 O ATOM 120 CB ASP A 8 0.265 1.907 -9.669 1.00 10.00 C ATOM 121 CG ASP A 8 -0.442 1.958 -11.008 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.627 2.346 -11.063 1.00 10.00 O ATOM 123 OD2 ASP A 8 0.266 1.913 -12.036 1.00 10.00 O ATOM 0 H ASP A 8 1.112 2.434 -7.489 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.616 2.043 -8.554 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.829 2.833 -9.555 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.991 1.095 -9.707 1.00 10.00 H new ATOM 128 N ILE A 9 -1.600 -0.518 -8.068 1.00 10.00 N ATOM 129 CA ILE A 9 -1.574 -1.905 -7.598 1.00 10.00 C ATOM 130 C ILE A 9 -1.860 -2.884 -8.741 1.00 10.00 C ATOM 131 O ILE A 9 -2.900 -2.782 -9.386 1.00 10.00 O ATOM 132 CB ILE A 9 -2.536 -2.091 -6.426 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.397 -0.890 -5.479 1.00 10.00 C ATOM 134 CG2 ILE A 9 -2.177 -3.407 -5.717 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.085 -1.158 -4.156 1.00 10.00 C ATOM 0 H ILE A 9 -2.501 -0.209 -8.434 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.570 -2.129 -7.237 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.571 -2.143 -6.763 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.342 -0.678 -5.308 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.829 -0.004 -5.944 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.851 -3.562 -4.875 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.275 -4.236 -6.418 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -1.150 -3.357 -5.355 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.971 -0.292 -3.505 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -4.145 -1.346 -4.328 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -2.635 -2.030 -3.682 1.00 10.00 H new ATOM 147 N GLU A 10 -0.962 -3.848 -8.975 1.00 10.00 N ATOM 148 CA GLU A 10 -1.125 -4.865 -10.005 1.00 10.00 C ATOM 149 C GLU A 10 -1.591 -6.179 -9.369 1.00 10.00 C ATOM 150 O GLU A 10 -0.801 -6.872 -8.724 1.00 10.00 O ATOM 151 CB GLU A 10 0.185 -5.087 -10.779 1.00 10.00 C ATOM 152 CG GLU A 10 0.926 -3.810 -11.216 1.00 10.00 C ATOM 153 CD GLU A 10 2.241 -4.139 -11.916 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.271 -5.000 -12.820 1.00 10.00 O ATOM 155 OE2 GLU A 10 3.306 -3.630 -11.503 1.00 10.00 O ATOM 0 H GLU A 10 -0.095 -3.940 -8.446 1.00 10.00 H new ATOM 0 HA GLU A 10 -1.879 -4.518 -10.712 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.856 -5.680 -10.158 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.035 -5.679 -11.667 1.00 10.00 H new ATOM 0 HG2 GLU A 10 0.291 -3.231 -11.886 1.00 10.00 H new ATOM 0 HG3 GLU A 10 1.123 -3.186 -10.344 1.00 10.00 H new ATOM 162 N GLY A 11 -2.861 -6.525 -9.594 1.00 10.00 N ATOM 163 CA GLY A 11 -3.443 -7.826 -9.284 1.00 10.00 C ATOM 164 C GLY A 11 -4.899 -7.709 -8.828 1.00 10.00 C ATOM 165 O GLY A 11 -5.811 -7.977 -9.603 1.00 10.00 O ATOM 0 H GLY A 11 -3.533 -5.882 -10.012 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.389 -8.466 -10.165 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.856 -8.309 -8.503 1.00 10.00 H new ATOM 169 N MET A 12 -5.084 -7.328 -7.559 1.00 10.00 N ATOM 170 CA MET A 12 -6.356 -7.151 -6.849 1.00 10.00 C ATOM 171 C MET A 12 -7.492 -8.068 -7.312 1.00 10.00 C ATOM 172 O MET A 12 -8.579 -7.627 -7.676 1.00 10.00 O ATOM 173 CB MET A 12 -6.782 -5.687 -6.887 1.00 10.00 C ATOM 174 CG MET A 12 -5.602 -4.744 -6.657 1.00 10.00 C ATOM 175 SD MET A 12 -6.051 -3.193 -5.853 1.00 10.00 S ATOM 176 CE MET A 12 -6.164 -3.835 -4.175 1.00 10.00 C ATOM 0 H MET A 12 -4.288 -7.120 -6.956 1.00 10.00 H new ATOM 0 HA MET A 12 -6.161 -7.456 -5.821 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.240 -5.467 -7.851 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.542 -5.510 -6.126 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.855 -5.254 -6.049 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.134 -4.522 -7.616 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.834 -3.205 -3.589 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.553 -4.853 -4.200 1.00 10.00 H new ATOM 0 HE3 MET A 12 -5.174 -3.836 -3.718 1.00 10.00 H new ATOM 186 N THR A 13 -7.257 -9.372 -7.246 1.00 10.00 N ATOM 187 CA THR A 13 -8.183 -10.375 -7.732 1.00 10.00 C ATOM 188 C THR A 13 -9.387 -10.527 -6.802 1.00 10.00 C ATOM 189 O THR A 13 -10.459 -10.907 -7.273 1.00 10.00 O ATOM 190 CB THR A 13 -7.413 -11.686 -7.929 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.383 -11.766 -6.960 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.769 -11.698 -9.318 1.00 10.00 C ATOM 0 H THR A 13 -6.404 -9.764 -6.847 1.00 10.00 H new ATOM 0 HA THR A 13 -8.599 -10.066 -8.691 1.00 10.00 H new ATOM 0 HB THR A 13 -8.099 -12.527 -7.828 1.00 10.00 H new ATOM 0 HG1 THR A 13 -5.887 -12.603 -7.078 1.00 10.00 H new ATOM 0 HG21 THR A 13 -6.222 -12.630 -9.457 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.545 -11.615 -10.079 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.081 -10.857 -9.408 1.00 10.00 H new ATOM 200 N CYS A 14 -9.235 -10.211 -5.509 1.00 10.00 N ATOM 201 CA CYS A 14 -10.345 -10.204 -4.569 1.00 10.00 C ATOM 202 C CYS A 14 -10.282 -9.025 -3.599 1.00 10.00 C ATOM 203 O CYS A 14 -9.210 -8.530 -3.255 1.00 10.00 O ATOM 204 CB CYS A 14 -10.472 -11.552 -3.829 1.00 10.00 C ATOM 205 SG CYS A 14 -9.194 -12.811 -4.114 1.00 10.00 S ATOM 0 H CYS A 14 -8.339 -9.955 -5.094 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.253 -10.070 -5.157 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.501 -11.343 -2.760 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.435 -11.989 -4.095 1.00 10.00 H new ATOM 0 HG CYS A 14 -9.464 -13.870 -3.410 1.00 10.00 H new ATOM 210 N ALA A 15 -11.448 -8.616 -3.093 1.00 10.00 N ATOM 211 CA ALA A 15 -11.551 -7.609 -2.043 1.00 10.00 C ATOM 212 C ALA A 15 -10.679 -7.991 -0.841 1.00 10.00 C ATOM 213 O ALA A 15 -10.088 -7.131 -0.196 1.00 10.00 O ATOM 214 CB ALA A 15 -13.015 -7.442 -1.631 1.00 10.00 C ATOM 0 H ALA A 15 -12.349 -8.978 -3.404 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.186 -6.656 -2.426 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.089 -6.689 -0.846 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.602 -7.126 -2.493 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.399 -8.392 -1.259 1.00 10.00 H new ATOM 220 N ALA A 16 -10.569 -9.290 -0.552 1.00 10.00 N ATOM 221 CA ALA A 16 -9.655 -9.793 0.463 1.00 10.00 C ATOM 222 C ALA A 16 -8.205 -9.401 0.152 1.00 10.00 C ATOM 223 O ALA A 16 -7.484 -8.972 1.053 1.00 10.00 O ATOM 224 CB ALA A 16 -9.806 -11.310 0.594 1.00 10.00 C ATOM 0 H ALA A 16 -11.112 -10.017 -1.017 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.911 -9.335 1.418 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.119 -11.680 1.355 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.830 -11.550 0.881 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.577 -11.782 -0.361 1.00 10.00 H new ATOM 230 N CYS A 17 -7.764 -9.548 -1.106 1.00 10.00 N ATOM 231 CA CYS A 17 -6.439 -9.102 -1.516 1.00 10.00 C ATOM 232 C CYS A 17 -6.289 -7.618 -1.222 1.00 10.00 C ATOM 233 O CYS A 17 -5.308 -7.218 -0.600 1.00 10.00 O ATOM 234 CB CYS A 17 -6.161 -9.419 -2.989 1.00 10.00 C ATOM 235 SG CYS A 17 -5.646 -11.130 -3.261 1.00 10.00 S ATOM 0 H CYS A 17 -8.312 -9.974 -1.853 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.694 -9.650 -0.940 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.059 -9.219 -3.573 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.385 -8.749 -3.358 1.00 10.00 H new ATOM 0 HG CYS A 17 -5.431 -11.322 -4.529 1.00 10.00 H new ATOM 240 N ALA A 18 -7.270 -6.819 -1.635 1.00 10.00 N ATOM 241 CA ALA A 18 -7.265 -5.400 -1.321 1.00 10.00 C ATOM 242 C ALA A 18 -7.099 -5.164 0.185 1.00 10.00 C ATOM 243 O ALA A 18 -6.142 -4.531 0.612 1.00 10.00 O ATOM 244 CB ALA A 18 -8.516 -4.739 -1.896 1.00 10.00 C ATOM 0 H ALA A 18 -8.071 -7.131 -2.184 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.402 -4.929 -1.792 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.508 -3.675 -1.658 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.531 -4.869 -2.978 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.403 -5.201 -1.463 1.00 10.00 H new ATOM 250 N ASN A 19 -7.983 -5.717 1.012 1.00 10.00 N ATOM 251 CA ASN A 19 -7.918 -5.541 2.461 1.00 10.00 C ATOM 252 C ASN A 19 -6.557 -5.966 3.033 1.00 10.00 C ATOM 253 O ASN A 19 -6.042 -5.350 3.968 1.00 10.00 O ATOM 254 CB ASN A 19 -9.068 -6.311 3.117 1.00 10.00 C ATOM 255 CG ASN A 19 -9.192 -5.988 4.603 1.00 10.00 C ATOM 256 OD1 ASN A 19 -9.998 -5.155 4.996 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.422 -6.660 5.455 1.00 10.00 N ATOM 0 H ASN A 19 -8.761 -6.297 0.699 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.025 -4.480 2.686 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -10.003 -6.067 2.613 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.908 -7.382 2.990 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -8.497 -6.485 6.457 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.757 -7.350 5.106 1.00 10.00 H new ATOM 264 N ARG A 20 -5.949 -7.020 2.473 1.00 10.00 N ATOM 265 CA ARG A 20 -4.633 -7.473 2.872 1.00 10.00 C ATOM 266 C ARG A 20 -3.596 -6.356 2.684 1.00 10.00 C ATOM 267 O ARG A 20 -2.676 -6.255 3.497 1.00 10.00 O ATOM 268 CB ARG A 20 -4.268 -8.743 2.086 1.00 10.00 C ATOM 269 CG ARG A 20 -4.282 -10.056 2.891 1.00 10.00 C ATOM 270 CD ARG A 20 -5.430 -11.002 2.512 1.00 10.00 C ATOM 271 NE ARG A 20 -5.375 -11.402 1.091 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.036 -12.436 0.541 1.00 10.00 C ATOM 273 NH1 ARG A 20 -6.739 -13.266 1.321 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.004 -12.651 -0.779 1.00 10.00 N ATOM 0 H ARG A 20 -6.368 -7.577 1.728 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.637 -7.723 3.933 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.962 -8.843 1.251 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.274 -8.611 1.660 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.334 -10.573 2.743 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.354 -9.820 3.953 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.388 -11.892 3.140 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.383 -10.514 2.714 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.784 -10.845 0.473 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -6.772 -13.113 2.329 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -7.242 -14.051 0.907 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.472 -12.026 -1.385 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.511 -13.440 -1.180 1.00 10.00 H new ATOM 288 N ILE A 21 -3.752 -5.506 1.657 1.00 10.00 N ATOM 289 CA ILE A 21 -2.901 -4.325 1.483 1.00 10.00 C ATOM 290 C ILE A 21 -2.955 -3.506 2.764 1.00 10.00 C ATOM 291 O ILE A 21 -1.924 -3.266 3.388 1.00 10.00 O ATOM 292 CB ILE A 21 -3.331 -3.424 0.301 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.383 -4.150 -1.045 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.451 -2.175 0.185 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.009 -4.376 -1.673 1.00 10.00 C ATOM 0 H ILE A 21 -4.463 -5.618 0.934 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.894 -4.680 1.261 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.351 -3.123 0.540 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.874 -5.114 -0.909 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.998 -3.573 -1.736 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.787 -1.570 -0.657 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.524 -1.592 1.103 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.415 -2.473 0.027 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.125 -4.895 -2.624 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.523 -3.415 -1.841 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.397 -4.979 -1.002 1.00 10.00 H new ATOM 307 N GLU A 22 -4.163 -3.086 3.154 1.00 10.00 N ATOM 308 CA GLU A 22 -4.345 -2.202 4.289 1.00 10.00 C ATOM 309 C GLU A 22 -3.724 -2.834 5.522 1.00 10.00 C ATOM 310 O GLU A 22 -2.999 -2.169 6.255 1.00 10.00 O ATOM 311 CB GLU A 22 -5.826 -1.897 4.530 1.00 10.00 C ATOM 312 CG GLU A 22 -6.516 -1.391 3.263 1.00 10.00 C ATOM 313 CD GLU A 22 -7.827 -0.673 3.567 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.317 -0.824 4.707 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.307 0.032 2.651 1.00 10.00 O ATOM 0 H GLU A 22 -5.031 -3.352 2.689 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.849 -1.255 4.075 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.329 -2.797 4.883 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.919 -1.150 5.318 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.847 -0.713 2.733 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.710 -2.232 2.597 1.00 10.00 H new ATOM 322 N LYS A 23 -3.984 -4.126 5.730 1.00 10.00 N ATOM 323 CA LYS A 23 -3.421 -4.866 6.846 1.00 10.00 C ATOM 324 C LYS A 23 -1.891 -4.770 6.848 1.00 10.00 C ATOM 325 O LYS A 23 -1.287 -4.404 7.858 1.00 10.00 O ATOM 326 CB LYS A 23 -3.882 -6.334 6.800 1.00 10.00 C ATOM 327 CG LYS A 23 -4.709 -6.717 8.039 1.00 10.00 C ATOM 328 CD LYS A 23 -4.585 -8.210 8.379 1.00 10.00 C ATOM 329 CE LYS A 23 -3.281 -8.488 9.149 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.160 -9.905 9.553 1.00 10.00 N ATOM 0 H LYS A 23 -4.590 -4.682 5.127 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.783 -4.422 7.773 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.477 -6.499 5.902 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.011 -6.986 6.730 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.380 -6.123 8.892 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.757 -6.471 7.865 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.440 -8.524 8.978 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.604 -8.799 7.462 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.429 -8.216 8.526 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.243 -7.855 10.036 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.267 -10.044 10.068 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.958 -10.160 10.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.169 -10.509 8.707 1.00 10.00 H new ATOM 344 N ARG A 24 -1.254 -5.130 5.730 1.00 10.00 N ATOM 345 CA ARG A 24 0.201 -5.129 5.650 1.00 10.00 C ATOM 346 C ARG A 24 0.737 -3.724 5.891 1.00 10.00 C ATOM 347 O ARG A 24 1.662 -3.545 6.676 1.00 10.00 O ATOM 348 CB ARG A 24 0.683 -5.664 4.295 1.00 10.00 C ATOM 349 CG ARG A 24 1.920 -6.563 4.423 1.00 10.00 C ATOM 350 CD ARG A 24 1.614 -7.940 5.031 1.00 10.00 C ATOM 351 NE ARG A 24 2.740 -8.862 4.804 1.00 10.00 N ATOM 352 CZ ARG A 24 2.699 -10.198 4.946 1.00 10.00 C ATOM 353 NH1 ARG A 24 1.561 -10.799 5.309 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.801 -10.927 4.735 1.00 10.00 N ATOM 0 H ARG A 24 -1.725 -5.424 4.874 1.00 10.00 H new ATOM 0 HA ARG A 24 0.586 -5.792 6.425 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.123 -6.226 3.823 1.00 10.00 H new ATOM 0 HB3 ARG A 24 0.914 -4.825 3.638 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.364 -6.700 3.437 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.664 -6.059 5.040 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.428 -7.839 6.100 1.00 10.00 H new ATOM 0 HD3 ARG A 24 0.706 -8.348 4.586 1.00 10.00 H new ATOM 0 HE ARG A 24 3.627 -8.451 4.514 1.00 10.00 H new ATOM 0 HH11 ARG A 24 0.722 -10.244 5.479 1.00 10.00 H new ATOM 0 HH12 ARG A 24 1.531 -11.813 5.416 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.672 -10.469 4.466 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.770 -11.941 4.843 1.00 10.00 H new ATOM 368 N LEU A 25 0.149 -2.732 5.219 1.00 10.00 N ATOM 369 CA LEU A 25 0.602 -1.359 5.366 1.00 10.00 C ATOM 370 C LEU A 25 0.444 -0.888 6.814 1.00 10.00 C ATOM 371 O LEU A 25 1.375 -0.330 7.382 1.00 10.00 O ATOM 372 CB LEU A 25 -0.117 -0.444 4.372 1.00 10.00 C ATOM 373 CG LEU A 25 0.203 -0.788 2.905 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.629 0.127 2.013 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.681 -0.600 2.548 1.00 10.00 C ATOM 0 H LEU A 25 -0.633 -2.857 4.576 1.00 10.00 H new ATOM 0 HA LEU A 25 1.665 -1.312 5.131 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.193 -0.517 4.531 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.165 0.590 4.568 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.032 -1.842 2.755 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.420 -0.097 0.967 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.688 -0.034 2.214 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.374 1.166 2.219 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.838 -0.859 1.501 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.965 0.440 2.711 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.292 -1.246 3.178 1.00 10.00 H new ATOM 387 N ASN A 26 -0.704 -1.161 7.438 1.00 10.00 N ATOM 388 CA ASN A 26 -0.946 -0.862 8.848 1.00 10.00 C ATOM 389 C ASN A 26 0.130 -1.478 9.737 1.00 10.00 C ATOM 390 O ASN A 26 0.492 -0.904 10.759 1.00 10.00 O ATOM 391 CB ASN A 26 -2.324 -1.373 9.287 1.00 10.00 C ATOM 392 CG ASN A 26 -3.409 -0.314 9.116 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.827 0.314 10.081 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.881 -0.109 7.891 1.00 10.00 N ATOM 0 H ASN A 26 -1.498 -1.600 6.973 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.914 0.222 8.958 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.585 -2.257 8.705 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.280 -1.681 10.332 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.611 0.587 7.735 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.514 -0.647 7.106 1.00 10.00 H new ATOM 401 N LYS A 27 0.633 -2.659 9.365 1.00 10.00 N ATOM 402 CA LYS A 27 1.695 -3.320 10.109 1.00 10.00 C ATOM 403 C LYS A 27 2.998 -2.502 10.140 1.00 10.00 C ATOM 404 O LYS A 27 3.854 -2.776 10.977 1.00 10.00 O ATOM 405 CB LYS A 27 1.938 -4.736 9.556 1.00 10.00 C ATOM 406 CG LYS A 27 2.398 -5.678 10.676 1.00 10.00 C ATOM 407 CD LYS A 27 2.921 -7.005 10.116 1.00 10.00 C ATOM 408 CE LYS A 27 3.198 -7.970 11.280 1.00 10.00 C ATOM 409 NZ LYS A 27 3.959 -9.165 10.859 1.00 10.00 N ATOM 0 H LYS A 27 0.315 -3.176 8.545 1.00 10.00 H new ATOM 0 HA LYS A 27 1.361 -3.400 11.143 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.023 -5.118 9.104 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.692 -4.701 8.769 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.181 -5.195 11.260 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.567 -5.871 11.355 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.190 -7.439 9.434 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.832 -6.837 9.542 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.753 -7.446 12.058 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.251 -8.283 11.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 4.119 -9.782 11.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 3.420 -9.683 10.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 4.875 -8.872 10.463 1.00 10.00 H new ATOM 423 N ILE A 28 3.189 -1.548 9.222 1.00 10.00 N ATOM 424 CA ILE A 28 4.393 -0.728 9.196 1.00 10.00 C ATOM 425 C ILE A 28 4.389 0.222 10.395 1.00 10.00 C ATOM 426 O ILE A 28 3.364 0.800 10.745 1.00 10.00 O ATOM 427 CB ILE A 28 4.483 0.077 7.889 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.415 -0.823 6.645 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.772 0.911 7.847 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.033 -0.014 5.406 1.00 10.00 C ATOM 0 H ILE A 28 2.518 -1.328 8.486 1.00 10.00 H new ATOM 0 HA ILE A 28 5.262 -1.384 9.251 1.00 10.00 H new ATOM 0 HB ILE A 28 3.619 0.741 7.873 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.380 -1.304 6.486 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.685 -1.617 6.805 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.813 1.471 6.913 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.784 1.605 8.687 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.636 0.249 7.911 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.992 -0.674 4.539 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.057 0.446 5.559 1.00 10.00 H new ATOM 0 HD13 ILE A 28 4.778 0.763 5.235 1.00 10.00 H new ATOM 442 N GLU A 29 5.562 0.421 10.988 1.00 10.00 N ATOM 443 CA GLU A 29 5.766 1.367 12.068 1.00 10.00 C ATOM 444 C GLU A 29 5.959 2.761 11.462 1.00 10.00 C ATOM 445 O GLU A 29 6.813 2.943 10.596 1.00 10.00 O ATOM 446 CB GLU A 29 6.969 0.912 12.905 1.00 10.00 C ATOM 447 CG GLU A 29 6.763 -0.525 13.416 1.00 10.00 C ATOM 448 CD GLU A 29 7.904 -0.978 14.316 1.00 10.00 C ATOM 449 OE1 GLU A 29 8.031 -0.384 15.408 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.619 -1.913 13.898 1.00 10.00 O ATOM 0 H GLU A 29 6.409 -0.082 10.723 1.00 10.00 H new ATOM 0 HA GLU A 29 4.904 1.411 12.734 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.877 0.963 12.304 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.107 1.587 13.749 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.823 -0.584 13.965 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.679 -1.203 12.567 1.00 10.00 H new ATOM 457 N GLY A 30 5.140 3.731 11.879 1.00 10.00 N ATOM 458 CA GLY A 30 5.234 5.113 11.421 1.00 10.00 C ATOM 459 C GLY A 30 4.336 5.414 10.220 1.00 10.00 C ATOM 460 O GLY A 30 4.516 6.424 9.538 1.00 10.00 O ATOM 0 H GLY A 30 4.388 3.574 12.550 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.967 5.779 12.241 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.269 5.331 11.156 1.00 10.00 H new ATOM 464 N VAL A 31 3.339 4.560 9.969 1.00 10.00 N ATOM 465 CA VAL A 31 2.275 4.838 9.014 1.00 10.00 C ATOM 466 C VAL A 31 1.141 5.545 9.758 1.00 10.00 C ATOM 467 O VAL A 31 0.879 5.231 10.918 1.00 10.00 O ATOM 468 CB VAL A 31 1.819 3.527 8.350 1.00 10.00 C ATOM 469 CG1 VAL A 31 1.045 2.622 9.318 1.00 10.00 C ATOM 470 CG2 VAL A 31 0.959 3.792 7.108 1.00 10.00 C ATOM 0 H VAL A 31 3.252 3.653 10.428 1.00 10.00 H new ATOM 0 HA VAL A 31 2.621 5.492 8.214 1.00 10.00 H new ATOM 0 HB VAL A 31 2.731 3.011 8.050 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.745 1.710 8.802 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.681 2.367 10.165 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.158 3.145 9.675 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.656 2.843 6.666 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.073 4.359 7.393 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.536 4.363 6.381 1.00 10.00 H new ATOM 480 N ALA A 32 0.472 6.497 9.104 1.00 10.00 N ATOM 481 CA ALA A 32 -0.708 7.154 9.649 1.00 10.00 C ATOM 482 C ALA A 32 -1.973 6.465 9.140 1.00 10.00 C ATOM 483 O ALA A 32 -2.834 6.104 9.936 1.00 10.00 O ATOM 484 CB ALA A 32 -0.695 8.639 9.289 1.00 10.00 C ATOM 0 H ALA A 32 0.738 6.832 8.178 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.697 7.074 10.736 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.581 9.121 9.701 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.198 9.106 9.704 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.692 8.751 8.205 1.00 10.00 H new ATOM 490 N ASN A 33 -2.098 6.279 7.820 1.00 10.00 N ATOM 491 CA ASN A 33 -3.273 5.667 7.204 1.00 10.00 C ATOM 492 C ASN A 33 -2.861 5.028 5.881 1.00 10.00 C ATOM 493 O ASN A 33 -1.773 5.297 5.378 1.00 10.00 O ATOM 494 CB ASN A 33 -4.382 6.704 6.953 1.00 10.00 C ATOM 495 CG ASN A 33 -5.123 7.117 8.217 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.905 6.342 8.756 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.934 8.351 8.673 1.00 10.00 N ATOM 0 H ASN A 33 -1.380 6.552 7.149 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.669 4.913 7.885 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.943 7.589 6.493 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.097 6.294 6.239 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.447 8.676 9.493 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.276 8.973 8.203 1.00 10.00 H new ATOM 504 N ALA A 34 -3.735 4.198 5.308 1.00 10.00 N ATOM 505 CA ALA A 34 -3.512 3.533 4.030 1.00 10.00 C ATOM 506 C ALA A 34 -4.777 2.879 3.450 1.00 10.00 C ATOM 507 O ALA A 34 -4.735 1.694 3.127 1.00 10.00 O ATOM 508 CB ALA A 34 -2.396 2.493 4.194 1.00 10.00 C ATOM 0 H ALA A 34 -4.634 3.967 5.731 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.218 4.299 3.312 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.223 1.991 3.242 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.480 2.990 4.514 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.691 1.758 4.943 1.00 10.00 H new ATOM 514 N PRO A 35 -5.896 3.608 3.281 1.00 10.00 N ATOM 515 CA PRO A 35 -7.074 3.049 2.635 1.00 10.00 C ATOM 516 C PRO A 35 -6.801 2.758 1.148 1.00 10.00 C ATOM 517 O PRO A 35 -6.212 3.597 0.461 1.00 10.00 O ATOM 518 CB PRO A 35 -8.183 4.088 2.832 1.00 10.00 C ATOM 519 CG PRO A 35 -7.423 5.405 2.990 1.00 10.00 C ATOM 520 CD PRO A 35 -6.132 4.983 3.691 1.00 10.00 C ATOM 0 HA PRO A 35 -7.363 2.091 3.067 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.861 4.117 1.979 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.787 3.867 3.712 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.223 5.872 2.026 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.986 6.126 3.583 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.301 5.626 3.402 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.232 5.058 4.774 1.00 10.00 H new ATOM 528 N VAL A 36 -7.216 1.581 0.656 1.00 10.00 N ATOM 529 CA VAL A 36 -7.093 1.178 -0.748 1.00 10.00 C ATOM 530 C VAL A 36 -8.453 1.191 -1.448 1.00 10.00 C ATOM 531 O VAL A 36 -9.465 0.859 -0.836 1.00 10.00 O ATOM 532 CB VAL A 36 -6.388 -0.186 -0.855 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.219 -1.337 -0.290 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.048 -0.557 -2.303 1.00 10.00 C ATOM 0 H VAL A 36 -7.656 0.869 1.239 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.471 1.906 -1.268 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.479 -0.059 -0.266 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.666 -2.271 -0.395 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.424 -1.154 0.765 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.160 -1.409 -0.836 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.552 -1.528 -2.323 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.965 -0.605 -2.891 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.385 0.198 -2.726 1.00 10.00 H new ATOM 544 N ASN A 37 -8.489 1.566 -2.735 1.00 10.00 N ATOM 545 CA ASN A 37 -9.710 1.558 -3.522 1.00 10.00 C ATOM 546 C ASN A 37 -9.777 0.326 -4.419 1.00 10.00 C ATOM 547 O ASN A 37 -8.750 -0.123 -4.921 1.00 10.00 O ATOM 548 CB ASN A 37 -9.845 2.859 -4.322 1.00 10.00 C ATOM 549 CG ASN A 37 -8.788 3.178 -5.385 1.00 10.00 C ATOM 550 OD1 ASN A 37 -8.343 4.316 -5.462 1.00 10.00 O ATOM 551 ND2 ASN A 37 -8.408 2.248 -6.258 1.00 10.00 N ATOM 0 H ASN A 37 -7.667 1.882 -3.251 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.559 1.502 -2.841 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.817 2.845 -4.815 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.860 3.685 -3.611 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.743 2.482 -6.995 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.782 1.301 -6.190 1.00 10.00 H new ATOM 558 N PHE A 38 -10.992 -0.171 -4.671 1.00 10.00 N ATOM 559 CA PHE A 38 -11.261 -1.270 -5.590 1.00 10.00 C ATOM 560 C PHE A 38 -11.996 -0.689 -6.798 1.00 10.00 C ATOM 561 O PHE A 38 -13.223 -0.604 -6.798 1.00 10.00 O ATOM 562 CB PHE A 38 -12.085 -2.337 -4.859 1.00 10.00 C ATOM 563 CG PHE A 38 -11.911 -3.737 -5.407 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.900 -4.559 -4.879 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.680 -4.187 -6.495 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.663 -5.832 -5.423 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.443 -5.462 -7.041 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.435 -6.285 -6.505 1.00 10.00 C ATOM 0 H PHE A 38 -11.835 0.193 -4.227 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.347 -1.751 -5.938 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.809 -2.334 -3.805 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -13.139 -2.066 -4.913 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -10.302 -4.210 -4.050 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.451 -3.555 -6.911 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.889 -6.461 -5.010 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.036 -5.810 -7.874 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.255 -7.264 -6.925 1.00 10.00 H new ATOM 578 N ALA A 39 -11.238 -0.205 -7.781 1.00 10.00 N ATOM 579 CA ALA A 39 -11.705 0.557 -8.925 1.00 10.00 C ATOM 580 C ALA A 39 -10.527 0.916 -9.835 1.00 10.00 C ATOM 581 O ALA A 39 -10.520 0.575 -11.015 1.00 10.00 O ATOM 582 CB ALA A 39 -12.365 1.842 -8.424 1.00 10.00 C ATOM 0 H ALA A 39 -10.228 -0.345 -7.796 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.420 -0.040 -9.491 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -12.720 2.424 -9.274 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.207 1.591 -7.779 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -11.639 2.428 -7.861 1.00 10.00 H new ATOM 588 N LEU A 40 -9.569 1.677 -9.291 1.00 10.00 N ATOM 589 CA LEU A 40 -8.436 2.254 -10.021 1.00 10.00 C ATOM 590 C LEU A 40 -7.146 1.531 -9.653 1.00 10.00 C ATOM 591 O LEU A 40 -6.099 1.762 -10.252 1.00 10.00 O ATOM 592 CB LEU A 40 -8.270 3.739 -9.659 1.00 10.00 C ATOM 593 CG LEU A 40 -9.534 4.565 -9.788 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.702 5.543 -8.622 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.600 5.297 -11.130 1.00 10.00 C ATOM 0 H LEU A 40 -9.562 1.915 -8.299 1.00 10.00 H new ATOM 0 HA LEU A 40 -8.635 2.147 -11.087 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.908 3.811 -8.634 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.502 4.172 -10.300 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.368 3.864 -9.751 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.621 6.114 -8.756 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.753 4.987 -7.686 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.852 6.225 -8.594 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.521 5.878 -11.183 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.744 5.965 -11.222 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.582 4.570 -11.942 1.00 10.00 H new ATOM 607 N GLU A 41 -7.247 0.695 -8.624 1.00 10.00 N ATOM 608 CA GLU A 41 -6.210 -0.136 -8.056 1.00 10.00 C ATOM 609 C GLU A 41 -5.107 0.776 -7.569 1.00 10.00 C ATOM 610 O GLU A 41 -4.023 0.887 -8.138 1.00 10.00 O ATOM 611 CB GLU A 41 -5.788 -1.231 -9.031 1.00 10.00 C ATOM 612 CG GLU A 41 -7.000 -1.833 -9.758 1.00 10.00 C ATOM 613 CD GLU A 41 -8.199 -2.203 -8.871 1.00 10.00 C ATOM 614 OE1 GLU A 41 -8.883 -1.277 -8.365 1.00 10.00 O ATOM 615 OE2 GLU A 41 -8.440 -3.417 -8.739 1.00 10.00 O ATOM 0 H GLU A 41 -8.132 0.578 -8.131 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.562 -0.697 -7.191 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.091 -0.821 -9.761 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.259 -2.016 -8.491 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -7.337 -1.122 -10.512 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.674 -2.729 -10.287 1.00 10.00 H new ATOM 622 N THR A 42 -5.466 1.506 -6.521 1.00 10.00 N ATOM 623 CA THR A 42 -4.691 2.584 -5.968 1.00 10.00 C ATOM 624 C THR A 42 -4.913 2.616 -4.464 1.00 10.00 C ATOM 625 O THR A 42 -6.039 2.417 -4.000 1.00 10.00 O ATOM 626 CB THR A 42 -5.054 3.905 -6.665 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.898 3.764 -8.065 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.222 5.098 -6.181 1.00 10.00 C ATOM 0 H THR A 42 -6.341 1.349 -6.021 1.00 10.00 H new ATOM 0 HA THR A 42 -3.626 2.433 -6.143 1.00 10.00 H new ATOM 0 HB THR A 42 -6.092 4.116 -6.408 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.132 4.607 -8.507 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.531 5.997 -6.714 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.377 5.240 -5.111 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.166 4.907 -6.373 1.00 10.00 H new ATOM 636 N VAL A 43 -3.829 2.840 -3.717 1.00 10.00 N ATOM 637 CA VAL A 43 -3.858 3.024 -2.276 1.00 10.00 C ATOM 638 C VAL A 43 -3.237 4.372 -1.954 1.00 10.00 C ATOM 639 O VAL A 43 -2.159 4.686 -2.460 1.00 10.00 O ATOM 640 CB VAL A 43 -3.179 1.844 -1.557 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.725 1.623 -1.995 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.246 1.991 -0.034 1.00 10.00 C ATOM 0 H VAL A 43 -2.890 2.899 -4.112 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.884 3.030 -1.907 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.747 0.962 -1.854 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.306 0.777 -1.450 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.695 1.417 -3.065 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.141 2.518 -1.781 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.756 1.138 0.436 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.742 2.910 0.265 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.288 2.030 0.282 1.00 10.00 H new ATOM 652 N THR A 44 -3.941 5.161 -1.142 1.00 10.00 N ATOM 653 CA THR A 44 -3.526 6.470 -0.693 1.00 10.00 C ATOM 654 C THR A 44 -2.873 6.286 0.672 1.00 10.00 C ATOM 655 O THR A 44 -3.573 6.264 1.686 1.00 10.00 O ATOM 656 CB THR A 44 -4.789 7.331 -0.584 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.792 6.593 0.080 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.327 7.758 -1.950 1.00 10.00 C ATOM 0 H THR A 44 -4.850 4.886 -0.770 1.00 10.00 H new ATOM 0 HA THR A 44 -2.820 6.950 -1.371 1.00 10.00 H new ATOM 0 HB THR A 44 -4.522 8.232 -0.031 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.411 6.164 0.874 1.00 10.00 H new ATOM 0 HG21 THR A 44 -6.222 8.366 -1.815 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.569 8.340 -2.474 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.574 6.873 -2.536 1.00 10.00 H new ATOM 666 N VAL A 45 -1.556 6.109 0.700 1.00 10.00 N ATOM 667 CA VAL A 45 -0.818 5.856 1.924 1.00 10.00 C ATOM 668 C VAL A 45 -0.415 7.183 2.541 1.00 10.00 C ATOM 669 O VAL A 45 0.234 8.002 1.897 1.00 10.00 O ATOM 670 CB VAL A 45 0.383 4.952 1.645 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.153 4.627 2.934 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.141 3.645 1.053 1.00 10.00 C ATOM 0 H VAL A 45 -0.970 6.138 -0.134 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.446 5.327 2.641 1.00 10.00 H new ATOM 0 HB VAL A 45 1.059 5.465 0.961 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.000 3.983 2.699 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.514 5.551 3.385 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.492 4.116 3.634 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.696 2.979 0.843 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.815 3.168 1.764 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.678 3.854 0.128 1.00 10.00 H new ATOM 682 N GLU A 46 -0.813 7.375 3.794 1.00 10.00 N ATOM 683 CA GLU A 46 -0.456 8.517 4.606 1.00 10.00 C ATOM 684 C GLU A 46 0.608 8.059 5.601 1.00 10.00 C ATOM 685 O GLU A 46 0.349 7.163 6.409 1.00 10.00 O ATOM 686 CB GLU A 46 -1.714 9.032 5.300 1.00 10.00 C ATOM 687 CG GLU A 46 -1.545 10.417 5.923 1.00 10.00 C ATOM 688 CD GLU A 46 -2.862 10.866 6.523 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.377 10.139 7.396 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.401 11.863 5.995 1.00 10.00 O ATOM 0 H GLU A 46 -1.414 6.712 4.283 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.049 9.336 4.013 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.530 9.065 4.578 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -2.005 8.326 6.078 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.773 10.390 6.692 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.216 11.130 5.167 1.00 10.00 H new ATOM 697 N TYR A 47 1.799 8.650 5.540 1.00 10.00 N ATOM 698 CA TYR A 47 2.912 8.331 6.424 1.00 10.00 C ATOM 699 C TYR A 47 3.811 9.553 6.506 1.00 10.00 C ATOM 700 O TYR A 47 3.498 10.576 5.904 1.00 10.00 O ATOM 701 CB TYR A 47 3.681 7.094 5.935 1.00 10.00 C ATOM 702 CG TYR A 47 4.500 7.268 4.663 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.870 7.406 3.411 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.906 7.225 4.726 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.640 7.498 2.240 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.673 7.356 3.558 1.00 10.00 C ATOM 707 CZ TYR A 47 6.041 7.510 2.315 1.00 10.00 C ATOM 708 OH TYR A 47 6.785 7.529 1.174 1.00 10.00 O ATOM 0 H TYR A 47 2.019 9.378 4.861 1.00 10.00 H new ATOM 0 HA TYR A 47 2.538 8.082 7.417 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.351 6.771 6.732 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.965 6.288 5.774 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.792 7.441 3.351 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.397 7.090 5.679 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.152 7.560 1.279 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.751 7.338 3.616 1.00 10.00 H new ATOM 0 HH TYR A 47 7.737 7.536 1.405 1.00 10.00 H new ATOM 718 N ASN A 48 4.905 9.468 7.260 1.00 10.00 N ATOM 719 CA ASN A 48 5.936 10.477 7.297 1.00 10.00 C ATOM 720 C ASN A 48 7.243 9.858 6.795 1.00 10.00 C ATOM 721 O ASN A 48 7.566 8.731 7.177 1.00 10.00 O ATOM 722 CB ASN A 48 6.077 11.004 8.722 1.00 10.00 C ATOM 723 CG ASN A 48 6.641 9.984 9.702 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.853 9.834 9.802 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.763 9.311 10.434 1.00 10.00 N ATOM 0 H ASN A 48 5.094 8.674 7.872 1.00 10.00 H new ATOM 0 HA ASN A 48 5.679 11.318 6.653 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.724 11.881 8.713 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.100 11.332 9.076 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.087 8.630 11.121 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.764 9.475 10.310 1.00 10.00 H new ATOM 732 N PRO A 49 8.022 10.567 5.965 1.00 10.00 N ATOM 733 CA PRO A 49 9.268 10.065 5.410 1.00 10.00 C ATOM 734 C PRO A 49 10.391 10.203 6.445 1.00 10.00 C ATOM 735 O PRO A 49 11.425 10.817 6.186 1.00 10.00 O ATOM 736 CB PRO A 49 9.493 10.921 4.159 1.00 10.00 C ATOM 737 CG PRO A 49 8.925 12.278 4.577 1.00 10.00 C ATOM 738 CD PRO A 49 7.720 11.885 5.433 1.00 10.00 C ATOM 0 HA PRO A 49 9.245 9.006 5.154 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.549 10.987 3.897 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.974 10.514 3.291 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.650 12.864 5.142 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.632 12.878 3.715 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.561 12.604 6.237 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.807 11.866 4.837 1.00 10.00 H new ATOM 746 N LYS A 50 10.177 9.648 7.642 1.00 10.00 N ATOM 747 CA LYS A 50 11.140 9.664 8.733 1.00 10.00 C ATOM 748 C LYS A 50 11.207 8.314 9.457 1.00 10.00 C ATOM 749 O LYS A 50 12.086 8.134 10.299 1.00 10.00 O ATOM 750 CB LYS A 50 10.794 10.814 9.696 1.00 10.00 C ATOM 751 CG LYS A 50 12.029 11.503 10.283 1.00 10.00 C ATOM 752 CD LYS A 50 12.752 12.350 9.220 1.00 10.00 C ATOM 753 CE LYS A 50 13.824 13.258 9.837 1.00 10.00 C ATOM 754 NZ LYS A 50 14.860 12.488 10.556 1.00 10.00 N ATOM 0 H LYS A 50 9.309 9.166 7.878 1.00 10.00 H new ATOM 0 HA LYS A 50 12.135 9.834 8.322 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.191 11.552 9.168 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.182 10.426 10.510 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.732 12.138 11.118 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.713 10.753 10.681 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.215 11.691 8.485 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.024 12.961 8.687 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.293 13.850 9.051 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.352 13.959 10.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.607 13.133 10.884 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.432 12.010 11.374 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 15.271 11.778 9.917 1.00 10.00 H new ATOM 768 N GLU A 51 10.302 7.384 9.124 1.00 10.00 N ATOM 769 CA GLU A 51 10.200 6.065 9.729 1.00 10.00 C ATOM 770 C GLU A 51 10.124 5.015 8.618 1.00 10.00 C ATOM 771 O GLU A 51 11.004 4.167 8.500 1.00 10.00 O ATOM 772 CB GLU A 51 8.960 6.022 10.633 1.00 10.00 C ATOM 773 CG GLU A 51 9.059 7.019 11.798 1.00 10.00 C ATOM 774 CD GLU A 51 7.804 6.981 12.659 1.00 10.00 C ATOM 775 OE1 GLU A 51 6.841 7.686 12.287 1.00 10.00 O ATOM 776 OE2 GLU A 51 7.817 6.228 13.655 1.00 10.00 O ATOM 0 H GLU A 51 9.601 7.542 8.401 1.00 10.00 H new ATOM 0 HA GLU A 51 11.075 5.851 10.343 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.072 6.244 10.041 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.835 5.014 11.029 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.930 6.784 12.409 1.00 10.00 H new ATOM 0 HG3 GLU A 51 9.206 8.026 11.408 1.00 10.00 H new ATOM 783 N ALA A 52 9.075 5.089 7.792 1.00 10.00 N ATOM 784 CA ALA A 52 8.848 4.202 6.668 1.00 10.00 C ATOM 785 C ALA A 52 9.275 4.893 5.375 1.00 10.00 C ATOM 786 O ALA A 52 9.586 6.084 5.361 1.00 10.00 O ATOM 787 CB ALA A 52 7.358 3.853 6.621 1.00 10.00 C ATOM 0 H ALA A 52 8.344 5.792 7.898 1.00 10.00 H new ATOM 0 HA ALA A 52 9.434 3.290 6.779 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.167 3.185 5.781 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.070 3.359 7.549 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.774 4.765 6.499 1.00 10.00 H new ATOM 793 N SER A 53 9.268 4.145 4.274 1.00 10.00 N ATOM 794 CA SER A 53 9.408 4.668 2.922 1.00 10.00 C ATOM 795 C SER A 53 8.693 3.749 1.930 1.00 10.00 C ATOM 796 O SER A 53 8.381 2.594 2.228 1.00 10.00 O ATOM 797 CB SER A 53 10.876 4.866 2.537 1.00 10.00 C ATOM 798 OG SER A 53 11.511 5.819 3.371 1.00 10.00 O ATOM 0 H SER A 53 9.162 3.131 4.301 1.00 10.00 H new ATOM 0 HA SER A 53 8.939 5.652 2.889 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.402 3.914 2.606 1.00 10.00 H new ATOM 0 HB3 SER A 53 10.940 5.191 1.499 1.00 10.00 H new ATOM 0 HG SER A 53 10.886 6.114 4.065 1.00 10.00 H new ATOM 804 N VAL A 54 8.426 4.309 0.751 1.00 10.00 N ATOM 805 CA VAL A 54 7.622 3.712 -0.307 1.00 10.00 C ATOM 806 C VAL A 54 8.262 2.423 -0.830 1.00 10.00 C ATOM 807 O VAL A 54 7.588 1.411 -1.008 1.00 10.00 O ATOM 808 CB VAL A 54 7.319 4.771 -1.383 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.565 5.420 -2.005 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.427 4.226 -2.504 1.00 10.00 C ATOM 0 H VAL A 54 8.781 5.231 0.499 1.00 10.00 H new ATOM 0 HA VAL A 54 6.656 3.393 0.085 1.00 10.00 H new ATOM 0 HB VAL A 54 6.786 5.548 -0.835 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.259 6.153 -2.752 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.144 5.916 -1.226 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.177 4.652 -2.479 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.243 5.012 -3.237 1.00 10.00 H new ATOM 0 HG22 VAL A 54 6.925 3.386 -2.989 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.478 3.892 -2.084 1.00 10.00 H new ATOM 820 N SER A 55 9.576 2.446 -1.049 1.00 10.00 N ATOM 821 CA SER A 55 10.350 1.291 -1.470 1.00 10.00 C ATOM 822 C SER A 55 10.146 0.091 -0.538 1.00 10.00 C ATOM 823 O SER A 55 9.965 -1.035 -0.994 1.00 10.00 O ATOM 824 CB SER A 55 11.822 1.710 -1.515 1.00 10.00 C ATOM 825 OG SER A 55 11.919 2.954 -2.188 1.00 10.00 O ATOM 0 H SER A 55 10.139 3.289 -0.935 1.00 10.00 H new ATOM 0 HA SER A 55 10.015 0.967 -2.455 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.222 1.795 -0.505 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.415 0.954 -2.030 1.00 10.00 H new ATOM 0 HG SER A 55 12.857 3.235 -2.222 1.00 10.00 H new ATOM 831 N ASP A 56 10.193 0.333 0.770 1.00 10.00 N ATOM 832 CA ASP A 56 10.230 -0.703 1.783 1.00 10.00 C ATOM 833 C ASP A 56 8.861 -1.355 1.840 1.00 10.00 C ATOM 834 O ASP A 56 8.722 -2.565 1.673 1.00 10.00 O ATOM 835 CB ASP A 56 10.620 -0.076 3.127 1.00 10.00 C ATOM 836 CG ASP A 56 11.941 0.672 3.025 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.955 1.659 2.253 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.901 0.243 3.697 1.00 10.00 O ATOM 0 H ASP A 56 10.206 1.277 1.157 1.00 10.00 H new ATOM 0 HA ASP A 56 10.971 -1.467 1.546 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.836 0.608 3.453 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.698 -0.855 3.885 1.00 10.00 H new ATOM 843 N LEU A 57 7.827 -0.528 2.017 1.00 10.00 N ATOM 844 CA LEU A 57 6.458 -1.010 1.984 1.00 10.00 C ATOM 845 C LEU A 57 6.159 -1.741 0.678 1.00 10.00 C ATOM 846 O LEU A 57 5.408 -2.718 0.687 1.00 10.00 O ATOM 847 CB LEU A 57 5.480 0.112 2.333 1.00 10.00 C ATOM 848 CG LEU A 57 5.368 1.276 1.351 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.487 0.976 0.131 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.785 2.488 2.089 1.00 10.00 C ATOM 0 H LEU A 57 7.919 0.474 2.184 1.00 10.00 H new ATOM 0 HA LEU A 57 6.320 -1.763 2.760 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.489 -0.328 2.448 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.764 0.517 3.304 1.00 10.00 H new ATOM 0 HG LEU A 57 6.373 1.467 0.975 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.457 1.850 -0.520 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.901 0.130 -0.417 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.477 0.735 0.462 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.699 3.327 1.399 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.799 2.237 2.479 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.442 2.762 2.914 1.00 10.00 H new ATOM 862 N LYS A 58 6.776 -1.319 -0.437 1.00 10.00 N ATOM 863 CA LYS A 58 6.668 -2.062 -1.682 1.00 10.00 C ATOM 864 C LYS A 58 6.957 -3.542 -1.418 1.00 10.00 C ATOM 865 O LYS A 58 6.130 -4.384 -1.745 1.00 10.00 O ATOM 866 CB LYS A 58 7.583 -1.471 -2.772 1.00 10.00 C ATOM 867 CG LYS A 58 6.933 -1.507 -4.157 1.00 10.00 C ATOM 868 CD LYS A 58 6.800 -2.930 -4.705 1.00 10.00 C ATOM 869 CE LYS A 58 8.102 -3.377 -5.392 1.00 10.00 C ATOM 870 NZ LYS A 58 7.993 -4.707 -6.024 1.00 10.00 N ATOM 0 H LYS A 58 7.347 -0.475 -0.493 1.00 10.00 H new ATOM 0 HA LYS A 58 5.651 -1.976 -2.064 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.831 -0.441 -2.516 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.520 -2.027 -2.798 1.00 10.00 H new ATOM 0 HG2 LYS A 58 5.946 -1.048 -4.104 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.526 -0.909 -4.849 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.559 -3.616 -3.893 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.975 -2.975 -5.416 1.00 10.00 H new ATOM 0 HE2 LYS A 58 8.378 -2.643 -6.149 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.907 -3.395 -4.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.934 -5.021 -6.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 7.611 -5.388 -5.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.357 -4.650 -6.845 1.00 10.00 H new ATOM 884 N GLU A 59 8.089 -3.867 -0.793 1.00 10.00 N ATOM 885 CA GLU A 59 8.469 -5.251 -0.517 1.00 10.00 C ATOM 886 C GLU A 59 7.394 -5.983 0.294 1.00 10.00 C ATOM 887 O GLU A 59 7.137 -7.170 0.096 1.00 10.00 O ATOM 888 CB GLU A 59 9.811 -5.256 0.222 1.00 10.00 C ATOM 889 CG GLU A 59 10.498 -6.634 0.164 1.00 10.00 C ATOM 890 CD GLU A 59 10.554 -7.347 1.505 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.716 -7.095 2.398 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.375 -8.271 1.679 1.00 10.00 O ATOM 0 H GLU A 59 8.767 -3.179 -0.465 1.00 10.00 H new ATOM 0 HA GLU A 59 8.567 -5.786 -1.462 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.468 -4.505 -0.216 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.653 -4.974 1.263 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.968 -7.264 -0.550 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.513 -6.508 -0.213 1.00 10.00 H new ATOM 899 N ALA A 60 6.739 -5.255 1.196 1.00 10.00 N ATOM 900 CA ALA A 60 5.736 -5.803 2.096 1.00 10.00 C ATOM 901 C ALA A 60 4.498 -6.207 1.302 1.00 10.00 C ATOM 902 O ALA A 60 3.920 -7.268 1.534 1.00 10.00 O ATOM 903 CB ALA A 60 5.397 -4.788 3.192 1.00 10.00 C ATOM 0 H ALA A 60 6.895 -4.255 1.321 1.00 10.00 H new ATOM 0 HA ALA A 60 6.131 -6.694 2.584 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.645 -5.210 3.859 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.296 -4.553 3.761 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.008 -3.877 2.737 1.00 10.00 H new ATOM 909 N VAL A 61 4.103 -5.351 0.359 1.00 10.00 N ATOM 910 CA VAL A 61 3.022 -5.619 -0.574 1.00 10.00 C ATOM 911 C VAL A 61 3.424 -6.766 -1.507 1.00 10.00 C ATOM 912 O VAL A 61 2.674 -7.723 -1.676 1.00 10.00 O ATOM 913 CB VAL A 61 2.676 -4.314 -1.312 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.630 -4.548 -2.404 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.135 -3.280 -0.312 1.00 10.00 C ATOM 0 H VAL A 61 4.537 -4.438 0.225 1.00 10.00 H new ATOM 0 HA VAL A 61 2.119 -5.947 -0.058 1.00 10.00 H new ATOM 0 HB VAL A 61 3.588 -3.945 -1.781 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.409 -3.605 -2.905 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.016 -5.263 -3.130 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.718 -4.943 -1.956 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.891 -2.357 -0.839 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.238 -3.672 0.167 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.892 -3.076 0.446 1.00 10.00 H new ATOM 925 N ASP A 62 4.633 -6.696 -2.069 1.00 10.00 N ATOM 926 CA ASP A 62 5.214 -7.713 -2.940 1.00 10.00 C ATOM 927 C ASP A 62 5.102 -9.094 -2.286 1.00 10.00 C ATOM 928 O ASP A 62 4.625 -10.051 -2.893 1.00 10.00 O ATOM 929 CB ASP A 62 6.672 -7.338 -3.236 1.00 10.00 C ATOM 930 CG ASP A 62 7.147 -7.921 -4.550 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.264 -9.157 -4.637 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.411 -7.089 -5.448 1.00 10.00 O ATOM 0 H ASP A 62 5.254 -5.900 -1.923 1.00 10.00 H new ATOM 0 HA ASP A 62 4.670 -7.758 -3.883 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.770 -6.253 -3.263 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.310 -7.695 -2.428 1.00 10.00 H new ATOM 937 N LYS A 63 5.451 -9.165 -0.995 1.00 10.00 N ATOM 938 CA LYS A 63 5.356 -10.360 -0.160 1.00 10.00 C ATOM 939 C LYS A 63 3.977 -11.039 -0.183 1.00 10.00 C ATOM 940 O LYS A 63 3.880 -12.205 0.195 1.00 10.00 O ATOM 941 CB LYS A 63 5.771 -9.999 1.281 1.00 10.00 C ATOM 942 CG LYS A 63 7.096 -10.655 1.699 1.00 10.00 C ATOM 943 CD LYS A 63 7.857 -9.758 2.685 1.00 10.00 C ATOM 944 CE LYS A 63 9.185 -10.405 3.112 1.00 10.00 C ATOM 945 NZ LYS A 63 10.118 -9.424 3.707 1.00 10.00 N ATOM 0 H LYS A 63 5.820 -8.360 -0.489 1.00 10.00 H new ATOM 0 HA LYS A 63 6.038 -11.099 -0.581 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.863 -8.916 1.368 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.984 -10.308 1.969 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.899 -11.624 2.158 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.711 -10.839 0.818 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.053 -8.790 2.224 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.240 -9.574 3.564 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.986 -11.198 3.833 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.655 -10.872 2.246 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.956 -9.329 3.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.645 -8.502 3.791 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.410 -9.751 4.650 1.00 10.00 H new ATOM 959 N LEU A 64 2.912 -10.331 -0.569 1.00 10.00 N ATOM 960 CA LEU A 64 1.564 -10.885 -0.658 1.00 10.00 C ATOM 961 C LEU A 64 1.267 -11.480 -2.040 1.00 10.00 C ATOM 962 O LEU A 64 0.301 -12.229 -2.170 1.00 10.00 O ATOM 963 CB LEU A 64 0.552 -9.801 -0.282 1.00 10.00 C ATOM 964 CG LEU A 64 0.631 -9.450 1.209 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.078 -8.047 1.436 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.173 -10.447 2.051 1.00 10.00 C ATOM 0 H LEU A 64 2.965 -9.347 -0.831 1.00 10.00 H new ATOM 0 HA LEU A 64 1.483 -11.714 0.046 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.737 -8.907 -0.877 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.455 -10.142 -0.524 1.00 10.00 H new ATOM 0 HG LEU A 64 1.676 -9.495 1.514 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.135 -7.800 2.496 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.664 -7.328 0.864 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.962 -8.009 1.110 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.100 -10.175 3.104 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.218 -10.425 1.742 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.227 -11.451 1.907 1.00 10.00 H new ATOM 978 N GLY A 65 2.068 -11.170 -3.065 1.00 10.00 N ATOM 979 CA GLY A 65 2.015 -11.820 -4.369 1.00 10.00 C ATOM 980 C GLY A 65 1.740 -10.810 -5.479 1.00 10.00 C ATOM 981 O GLY A 65 2.437 -10.783 -6.490 1.00 10.00 O ATOM 0 H GLY A 65 2.784 -10.446 -3.005 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.959 -12.329 -4.563 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.236 -12.583 -4.367 1.00 10.00 H new ATOM 985 N TYR A 66 0.708 -9.985 -5.295 1.00 10.00 N ATOM 986 CA TYR A 66 0.436 -8.869 -6.192 1.00 10.00 C ATOM 987 C TYR A 66 1.573 -7.848 -6.131 1.00 10.00 C ATOM 988 O TYR A 66 2.355 -7.834 -5.182 1.00 10.00 O ATOM 989 CB TYR A 66 -0.920 -8.228 -5.870 1.00 10.00 C ATOM 990 CG TYR A 66 -1.303 -8.197 -4.406 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.534 -7.452 -3.493 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.396 -8.954 -3.945 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.922 -7.391 -2.147 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.790 -8.861 -2.600 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.113 -7.996 -1.733 1.00 10.00 C ATOM 996 OH TYR A 66 -2.628 -7.707 -0.510 1.00 10.00 O ATOM 0 H TYR A 66 0.044 -10.073 -4.526 1.00 10.00 H new ATOM 0 HA TYR A 66 0.382 -9.246 -7.213 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.916 -7.205 -6.247 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.694 -8.766 -6.417 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.350 -6.930 -3.827 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.930 -9.604 -4.623 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.300 -6.876 -1.429 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.614 -9.456 -2.236 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.580 -7.491 -0.599 1.00 10.00 H new ATOM 1006 N LYS A 67 1.656 -6.991 -7.150 1.00 10.00 N ATOM 1007 CA LYS A 67 2.734 -6.019 -7.287 1.00 10.00 C ATOM 1008 C LYS A 67 2.197 -4.608 -7.039 1.00 10.00 C ATOM 1009 O LYS A 67 0.985 -4.396 -6.985 1.00 10.00 O ATOM 1010 CB LYS A 67 3.378 -6.156 -8.674 1.00 10.00 C ATOM 1011 CG LYS A 67 4.912 -6.072 -8.637 1.00 10.00 C ATOM 1012 CD LYS A 67 5.479 -5.558 -9.969 1.00 10.00 C ATOM 1013 CE LYS A 67 5.104 -6.446 -11.170 1.00 10.00 C ATOM 1014 NZ LYS A 67 4.867 -5.651 -12.393 1.00 10.00 N ATOM 0 H LYS A 67 0.972 -6.954 -7.906 1.00 10.00 H new ATOM 0 HA LYS A 67 3.506 -6.210 -6.542 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.083 -7.109 -9.113 1.00 10.00 H new ATOM 0 HB3 LYS A 67 2.993 -5.372 -9.326 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.222 -5.410 -7.829 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.326 -7.056 -8.419 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.114 -4.546 -10.146 1.00 10.00 H new ATOM 0 HD3 LYS A 67 6.565 -5.497 -9.895 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.903 -7.164 -11.354 1.00 10.00 H new ATOM 0 HE3 LYS A 67 4.209 -7.020 -10.931 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 3.977 -5.954 -12.837 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 4.804 -4.643 -12.145 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.653 -5.795 -13.059 1.00 10.00 H new ATOM 1028 N LEU A 68 3.102 -3.636 -6.891 1.00 10.00 N ATOM 1029 CA LEU A 68 2.785 -2.258 -6.583 1.00 10.00 C ATOM 1030 C LEU A 68 3.923 -1.402 -7.124 1.00 10.00 C ATOM 1031 O LEU A 68 5.032 -1.911 -7.304 1.00 10.00 O ATOM 1032 CB LEU A 68 2.630 -2.115 -5.064 1.00 10.00 C ATOM 1033 CG LEU A 68 2.180 -0.729 -4.568 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.075 -0.870 -3.517 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.365 0.019 -3.942 1.00 10.00 C ATOM 0 H LEU A 68 4.104 -3.802 -6.987 1.00 10.00 H new ATOM 0 HA LEU A 68 1.849 -1.937 -7.040 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.909 -2.856 -4.719 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.584 -2.357 -4.595 1.00 10.00 H new ATOM 0 HG LEU A 68 1.800 -0.170 -5.423 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.768 0.119 -3.177 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.220 -1.385 -3.955 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.450 -1.445 -2.670 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.035 0.998 -3.595 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.752 -0.553 -3.099 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.151 0.144 -4.687 1.00 10.00 H new ATOM 1047 N LYS A 69 3.657 -0.122 -7.374 1.00 10.00 N ATOM 1048 CA LYS A 69 4.629 0.895 -7.745 1.00 10.00 C ATOM 1049 C LYS A 69 4.060 2.255 -7.349 1.00 10.00 C ATOM 1050 O LYS A 69 2.870 2.357 -7.070 1.00 10.00 O ATOM 1051 CB LYS A 69 4.909 0.864 -9.254 1.00 10.00 C ATOM 1052 CG LYS A 69 5.750 -0.350 -9.668 1.00 10.00 C ATOM 1053 CD LYS A 69 6.472 -0.123 -11.001 1.00 10.00 C ATOM 1054 CE LYS A 69 5.470 -0.073 -12.164 1.00 10.00 C ATOM 1055 NZ LYS A 69 6.133 0.210 -13.453 1.00 10.00 N ATOM 0 H LYS A 69 2.709 0.249 -7.320 1.00 10.00 H new ATOM 0 HA LYS A 69 5.571 0.707 -7.231 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.963 0.849 -9.796 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.428 1.778 -9.543 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.483 -0.565 -8.891 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.106 -1.226 -9.749 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.035 0.809 -10.960 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.192 -0.923 -11.170 1.00 10.00 H new ATOM 0 HE2 LYS A 69 4.942 -1.024 -12.229 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.721 0.694 -11.965 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 5.422 0.235 -14.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.616 1.130 -13.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.829 -0.535 -13.656 1.00 10.00 H new ATOM 1069 N LEU A 70 4.895 3.294 -7.332 1.00 10.00 N ATOM 1070 CA LEU A 70 4.450 4.654 -7.057 1.00 10.00 C ATOM 1071 C LEU A 70 3.512 5.146 -8.154 1.00 10.00 C ATOM 1072 O LEU A 70 3.635 4.742 -9.310 1.00 10.00 O ATOM 1073 CB LEU A 70 5.672 5.567 -6.844 1.00 10.00 C ATOM 1074 CG LEU A 70 5.473 7.091 -6.980 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.569 7.801 -6.175 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.592 7.583 -8.431 1.00 10.00 C ATOM 0 H LEU A 70 5.896 3.214 -7.509 1.00 10.00 H new ATOM 0 HA LEU A 70 3.870 4.675 -6.134 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.066 5.370 -5.847 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.441 5.266 -7.556 1.00 10.00 H new ATOM 0 HG LEU A 70 4.469 7.314 -6.619 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.442 8.880 -6.261 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.497 7.510 -5.127 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.547 7.518 -6.564 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.443 8.662 -8.463 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.583 7.342 -8.817 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.835 7.094 -9.044 1.00 10.00 H new ATOM 1088 N LYS A 71 2.593 6.033 -7.768 1.00 10.00 N ATOM 1089 CA LYS A 71 1.727 6.778 -8.665 1.00 10.00 C ATOM 1090 C LYS A 71 1.958 8.277 -8.478 1.00 10.00 C ATOM 1091 O LYS A 71 2.575 8.912 -9.331 1.00 10.00 O ATOM 1092 CB LYS A 71 0.252 6.363 -8.491 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.552 6.537 -9.787 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.367 5.293 -10.663 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.055 5.412 -12.030 1.00 10.00 C ATOM 1096 NZ LYS A 71 -0.841 4.199 -12.848 1.00 10.00 N ATOM 0 H LYS A 71 2.431 6.256 -6.786 1.00 10.00 H new ATOM 0 HA LYS A 71 1.980 6.537 -9.697 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.204 5.322 -8.172 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.202 6.960 -7.700 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.608 6.682 -9.558 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.217 7.426 -10.321 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.698 5.117 -10.813 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.763 4.424 -10.138 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.124 5.574 -11.889 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.668 6.283 -12.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.924 4.441 -13.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 0.108 3.817 -12.661 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.556 3.485 -12.603 1.00 10.00 H new