USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= 0.235 X(o=-5.1,f=-5.1) USER MOD Set 1.2: A 77 SER OG : rot 129:sc= -5.31! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.559 K(o=-0.56,f=0.066) USER MOD Single : A 30 THR OG1 : rot -158:sc= -1.26 USER MOD Single : A 35 THR OG1 : rot 92:sc= -0.593 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 75:sc= 0.872 USER MOD Single : A 60 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.1!) USER MOD Single : A 65 MET CE :methyl -112:sc= -1.18 (180deg=-8.85!) USER MOD Single : A 67 HIS : no HE2:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 71 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.68) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0453 K(o=-0.045,f=-2.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.948 12.914 1.812 1.00 0.00 N ATOM 60 CA GLY A 7 -1.591 11.519 1.617 1.00 0.00 C ATOM 61 C GLY A 7 -0.761 10.996 2.791 1.00 0.00 C ATOM 62 O GLY A 7 0.234 11.610 3.174 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.495 10.920 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.026 11.410 0.691 1.00 0.00 H new ATOM 66 N LEU A 8 -1.200 9.868 3.329 1.00 0.00 N ATOM 67 CA LEU A 8 -0.510 9.256 4.452 1.00 0.00 C ATOM 68 C LEU A 8 0.230 8.006 3.970 1.00 0.00 C ATOM 69 O LEU A 8 -0.129 7.424 2.947 1.00 0.00 O ATOM 70 CB LEU A 8 -1.485 8.989 5.600 1.00 0.00 C ATOM 71 CG LEU A 8 -1.390 7.609 6.254 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.917 7.645 7.690 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.101 6.551 5.408 1.00 0.00 C ATOM 0 H LEU A 8 -2.025 9.362 3.008 1.00 0.00 H new ATOM 0 HA LEU A 8 0.240 9.936 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.326 9.745 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.500 9.123 5.227 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.338 7.327 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.838 6.652 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.328 8.350 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.961 7.959 7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.018 5.580 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.153 6.816 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.639 6.503 4.422 1.00 0.00 H new ATOM 85 N THR A 9 1.248 7.630 4.729 1.00 0.00 N ATOM 86 CA THR A 9 2.041 6.460 4.393 1.00 0.00 C ATOM 87 C THR A 9 1.853 5.367 5.447 1.00 0.00 C ATOM 88 O THR A 9 1.491 5.655 6.587 1.00 0.00 O ATOM 89 CB THR A 9 3.496 6.905 4.231 1.00 0.00 C ATOM 90 OG1 THR A 9 3.436 7.936 3.249 1.00 0.00 O ATOM 91 CG2 THR A 9 4.370 5.827 3.587 1.00 0.00 C ATOM 0 H THR A 9 1.542 8.115 5.576 1.00 0.00 H new ATOM 0 HA THR A 9 1.715 6.019 3.451 1.00 0.00 H new ATOM 0 HB THR A 9 3.906 7.169 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.337 8.283 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.392 6.194 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.360 4.932 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.981 5.586 2.598 1.00 0.00 H new ATOM 99 N VAL A 10 2.109 4.136 5.029 1.00 0.00 N ATOM 100 CA VAL A 10 1.973 2.999 5.923 1.00 0.00 C ATOM 101 C VAL A 10 3.247 2.153 5.863 1.00 0.00 C ATOM 102 O VAL A 10 3.973 2.188 4.871 1.00 0.00 O ATOM 103 CB VAL A 10 0.712 2.207 5.574 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.787 1.656 4.149 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.473 1.083 6.584 1.00 0.00 C ATOM 0 H VAL A 10 2.410 3.901 4.083 1.00 0.00 H new ATOM 0 HA VAL A 10 1.855 3.335 6.953 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.136 2.889 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.122 1.097 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.887 2.482 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.650 0.996 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.430 0.536 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.325 0.403 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.353 1.509 7.580 1.00 0.00 H new ATOM 115 N ASP A 11 3.478 1.412 6.936 1.00 0.00 N ATOM 116 CA ASP A 11 4.651 0.558 7.018 1.00 0.00 C ATOM 117 C ASP A 11 4.212 -0.878 7.311 1.00 0.00 C ATOM 118 O ASP A 11 3.882 -1.209 8.449 1.00 0.00 O ATOM 119 CB ASP A 11 5.583 1.008 8.145 1.00 0.00 C ATOM 120 CG ASP A 11 4.880 1.615 9.361 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.957 0.947 9.875 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.281 2.734 9.748 1.00 0.00 O ATOM 0 H ASP A 11 2.873 1.385 7.757 1.00 0.00 H new ATOM 0 HA ASP A 11 5.180 0.620 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.171 0.151 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.284 1.741 7.746 1.00 0.00 H new ATOM 127 N VAL A 12 4.222 -1.691 6.266 1.00 0.00 N ATOM 128 CA VAL A 12 3.829 -3.084 6.397 1.00 0.00 C ATOM 129 C VAL A 12 5.063 -3.929 6.722 1.00 0.00 C ATOM 130 O VAL A 12 5.937 -4.110 5.876 1.00 0.00 O ATOM 131 CB VAL A 12 3.106 -3.545 5.130 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.509 -4.942 5.318 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.029 -2.540 4.717 1.00 0.00 C ATOM 0 H VAL A 12 4.496 -1.412 5.324 1.00 0.00 H new ATOM 0 HA VAL A 12 3.125 -3.206 7.220 1.00 0.00 H new ATOM 0 HB VAL A 12 3.840 -3.599 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.001 -5.247 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.306 -5.651 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.795 -4.925 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.530 -2.892 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.298 -2.440 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.490 -1.572 4.523 1.00 0.00 H new ATOM 143 N ALA A 13 5.094 -4.424 7.951 1.00 0.00 N ATOM 144 CA ALA A 13 6.206 -5.245 8.399 1.00 0.00 C ATOM 145 C ALA A 13 6.109 -6.626 7.746 1.00 0.00 C ATOM 146 O ALA A 13 5.230 -7.417 8.086 1.00 0.00 O ATOM 147 CB ALA A 13 6.202 -5.321 9.927 1.00 0.00 C ATOM 0 H ALA A 13 4.367 -4.272 8.650 1.00 0.00 H new ATOM 0 HA ALA A 13 7.156 -4.803 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.036 -5.937 10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.302 -4.318 10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.265 -5.763 10.267 1.00 0.00 H new ATOM 153 N GLY A 14 7.025 -6.874 6.821 1.00 0.00 N ATOM 154 CA GLY A 14 7.054 -8.145 6.118 1.00 0.00 C ATOM 155 C GLY A 14 7.252 -9.306 7.094 1.00 0.00 C ATOM 156 O GLY A 14 7.049 -9.153 8.298 1.00 0.00 O ATOM 0 H GLY A 14 7.753 -6.216 6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.123 -8.282 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.860 -8.141 5.384 1.00 0.00 H new ATOM 160 N PRO A 15 7.658 -10.473 6.524 1.00 0.00 N ATOM 161 CA PRO A 15 7.876 -10.570 5.091 1.00 0.00 C ATOM 162 C PRO A 15 6.546 -10.623 4.337 1.00 0.00 C ATOM 163 O PRO A 15 5.504 -10.261 4.881 1.00 0.00 O ATOM 164 CB PRO A 15 8.715 -11.823 4.904 1.00 0.00 C ATOM 165 CG PRO A 15 8.545 -12.632 6.180 1.00 0.00 C ATOM 166 CD PRO A 15 7.918 -11.726 7.227 1.00 0.00 C ATOM 0 HA PRO A 15 8.390 -9.699 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.382 -12.390 4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.762 -11.571 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.913 -13.501 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.509 -13.005 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.998 -12.156 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.589 -11.574 8.072 1.00 0.00 H new ATOM 174 N ALA A 16 6.624 -11.078 3.095 1.00 0.00 N ATOM 175 CA ALA A 16 5.440 -11.184 2.260 1.00 0.00 C ATOM 176 C ALA A 16 4.899 -12.613 2.328 1.00 0.00 C ATOM 177 O ALA A 16 5.585 -13.519 2.800 1.00 0.00 O ATOM 178 CB ALA A 16 5.782 -10.758 0.831 1.00 0.00 C ATOM 0 H ALA A 16 7.490 -11.378 2.647 1.00 0.00 H new ATOM 0 HA ALA A 16 4.657 -10.517 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.893 -10.838 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.133 -9.726 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.564 -11.406 0.435 1.00 0.00 H new ATOM 184 N PRO A 17 3.640 -12.776 1.838 1.00 0.00 N ATOM 185 CA PRO A 17 2.897 -11.650 1.298 1.00 0.00 C ATOM 186 C PRO A 17 2.381 -10.745 2.418 1.00 0.00 C ATOM 187 O PRO A 17 2.547 -11.055 3.597 1.00 0.00 O ATOM 188 CB PRO A 17 1.780 -12.275 0.477 1.00 0.00 C ATOM 189 CG PRO A 17 1.659 -13.710 0.962 1.00 0.00 C ATOM 190 CD PRO A 17 2.895 -14.030 1.786 1.00 0.00 C ATOM 0 HA PRO A 17 3.513 -10.997 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.843 -11.735 0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.012 -12.241 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.758 -13.835 1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.577 -14.393 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.627 -14.373 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.485 -14.822 1.324 1.00 0.00 H new ATOM 198 N TRP A 18 1.765 -9.645 2.011 1.00 0.00 N ATOM 199 CA TRP A 18 1.224 -8.693 2.966 1.00 0.00 C ATOM 200 C TRP A 18 -0.163 -9.183 3.388 1.00 0.00 C ATOM 201 O TRP A 18 -0.429 -9.354 4.576 1.00 0.00 O ATOM 202 CB TRP A 18 1.206 -7.279 2.380 1.00 0.00 C ATOM 203 CG TRP A 18 2.445 -6.933 1.553 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.528 -6.748 0.228 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.785 -6.734 2.053 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.817 -6.447 -0.161 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.606 -6.438 0.984 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.286 -6.803 3.364 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.977 -6.187 1.117 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.658 -6.550 3.480 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.498 -6.250 2.414 1.00 0.00 C ATOM 0 H TRP A 18 1.628 -9.392 1.032 1.00 0.00 H new ATOM 0 HA TRP A 18 1.856 -8.633 3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.321 -7.168 1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.113 -6.560 3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.691 -6.825 -0.450 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.133 -6.265 -1.113 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.662 -7.033 4.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.599 -5.957 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.094 -6.591 4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.548 -6.066 2.586 1.00 0.00 H new ATOM 222 N GLY A 19 -1.009 -9.394 2.391 1.00 0.00 N ATOM 223 CA GLY A 19 -2.362 -9.861 2.644 1.00 0.00 C ATOM 224 C GLY A 19 -3.392 -8.811 2.223 1.00 0.00 C ATOM 225 O GLY A 19 -4.427 -8.658 2.869 1.00 0.00 O ATOM 0 H GLY A 19 -0.784 -9.250 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.539 -10.788 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.480 -10.087 3.704 1.00 0.00 H new ATOM 229 N PHE A 20 -3.072 -8.115 1.141 1.00 0.00 N ATOM 230 CA PHE A 20 -3.957 -7.084 0.627 1.00 0.00 C ATOM 231 C PHE A 20 -3.915 -7.038 -0.902 1.00 0.00 C ATOM 232 O PHE A 20 -2.873 -7.294 -1.506 1.00 0.00 O ATOM 233 CB PHE A 20 -3.457 -5.748 1.179 1.00 0.00 C ATOM 234 CG PHE A 20 -2.169 -5.247 0.523 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.201 -4.743 -0.740 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.992 -5.305 1.202 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.006 -4.277 -1.349 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.203 -4.839 0.593 1.00 0.00 C ATOM 239 CZ PHE A 20 0.171 -4.335 -0.670 1.00 0.00 C ATOM 0 H PHE A 20 -2.213 -8.245 0.607 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.983 -7.290 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.236 -4.997 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.291 -5.849 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.135 -4.697 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.966 -5.706 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.032 -3.876 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.137 -4.885 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.080 -3.981 -1.133 1.00 0.00 H new ATOM 249 N ARG A 21 -5.059 -6.711 -1.485 1.00 0.00 N ATOM 250 CA ARG A 21 -5.165 -6.628 -2.931 1.00 0.00 C ATOM 251 C ARG A 21 -5.307 -5.170 -3.371 1.00 0.00 C ATOM 252 O ARG A 21 -5.270 -4.261 -2.542 1.00 0.00 O ATOM 253 CB ARG A 21 -6.367 -7.426 -3.442 1.00 0.00 C ATOM 254 CG ARG A 21 -6.048 -8.922 -3.497 1.00 0.00 C ATOM 255 CD ARG A 21 -6.808 -9.602 -4.638 1.00 0.00 C ATOM 256 NE ARG A 21 -5.873 -10.399 -5.463 1.00 0.00 N ATOM 257 CZ ARG A 21 -5.315 -11.551 -5.066 1.00 0.00 C ATOM 258 NH1 ARG A 21 -5.594 -12.048 -3.854 1.00 0.00 N ATOM 259 NH2 ARG A 21 -4.479 -12.207 -5.883 1.00 0.00 N ATOM 0 H ARG A 21 -5.921 -6.500 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.254 -7.052 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.224 -7.257 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.647 -7.073 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.976 -9.064 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.313 -9.389 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.589 -10.246 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.302 -8.852 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.639 -10.050 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.231 -11.550 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.169 -12.925 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.268 -11.829 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.054 -13.084 -5.581 1.00 0.00 H new ATOM 273 N ILE A 22 -5.466 -4.990 -4.674 1.00 0.00 N ATOM 274 CA ILE A 22 -5.613 -3.657 -5.233 1.00 0.00 C ATOM 275 C ILE A 22 -6.526 -3.721 -6.459 1.00 0.00 C ATOM 276 O ILE A 22 -6.820 -4.804 -6.963 1.00 0.00 O ATOM 277 CB ILE A 22 -4.242 -3.042 -5.520 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.431 -3.927 -6.469 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.488 -2.754 -4.220 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.304 -3.131 -7.132 1.00 0.00 C ATOM 0 H ILE A 22 -5.496 -5.745 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.091 -2.993 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.395 -2.087 -6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.011 -4.768 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.087 -4.342 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.517 -2.317 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.064 -2.056 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.346 -3.683 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.743 -3.783 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.729 -2.305 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.637 -2.738 -6.365 1.00 0.00 H new ATOM 292 N SER A 23 -6.950 -2.547 -6.904 1.00 0.00 N ATOM 293 CA SER A 23 -7.824 -2.456 -8.061 1.00 0.00 C ATOM 294 C SER A 23 -7.376 -1.307 -8.966 1.00 0.00 C ATOM 295 O SER A 23 -6.415 -0.605 -8.654 1.00 0.00 O ATOM 296 CB SER A 23 -9.281 -2.262 -7.637 1.00 0.00 C ATOM 297 OG SER A 23 -10.171 -3.077 -8.395 1.00 0.00 O ATOM 0 H SER A 23 -6.704 -1.651 -6.484 1.00 0.00 H new ATOM 0 HA SER A 23 -7.757 -3.393 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.385 -2.499 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.557 -1.214 -7.758 1.00 0.00 H new ATOM 0 HG SER A 23 -11.091 -2.925 -8.093 1.00 0.00 H new ATOM 303 N GLY A 24 -8.094 -1.149 -10.068 1.00 0.00 N ATOM 304 CA GLY A 24 -7.783 -0.097 -11.020 1.00 0.00 C ATOM 305 C GLY A 24 -6.319 -0.170 -11.459 1.00 0.00 C ATOM 306 O GLY A 24 -5.821 -1.243 -11.795 1.00 0.00 O ATOM 0 H GLY A 24 -8.891 -1.733 -10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.432 -0.186 -11.891 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.984 0.876 -10.571 1.00 0.00 H new ATOM 310 N GLY A 25 -5.671 0.986 -11.442 1.00 0.00 N ATOM 311 CA GLY A 25 -4.274 1.067 -11.834 1.00 0.00 C ATOM 312 C GLY A 25 -4.109 1.900 -13.106 1.00 0.00 C ATOM 313 O GLY A 25 -5.087 2.417 -13.645 1.00 0.00 O ATOM 0 H GLY A 25 -6.088 1.874 -11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.691 1.510 -11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.880 0.064 -11.998 1.00 0.00 H new ATOM 317 N ARG A 26 -2.865 2.005 -13.550 1.00 0.00 N ATOM 318 CA ARG A 26 -2.559 2.767 -14.749 1.00 0.00 C ATOM 319 C ARG A 26 -3.160 2.084 -15.979 1.00 0.00 C ATOM 320 O ARG A 26 -3.616 2.754 -16.905 1.00 0.00 O ATOM 321 CB ARG A 26 -1.048 2.909 -14.940 1.00 0.00 C ATOM 322 CG ARG A 26 -0.726 3.596 -16.269 1.00 0.00 C ATOM 323 CD ARG A 26 -1.040 5.093 -16.203 1.00 0.00 C ATOM 324 NE ARG A 26 -1.817 5.500 -17.395 1.00 0.00 N ATOM 325 CZ ARG A 26 -2.264 6.745 -17.611 1.00 0.00 C ATOM 326 NH1 ARG A 26 -2.013 7.711 -16.717 1.00 0.00 N ATOM 327 NH2 ARG A 26 -2.961 7.023 -18.721 1.00 0.00 N ATOM 0 H ARG A 26 -2.057 1.575 -13.101 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.994 3.760 -14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.626 3.486 -14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.580 1.925 -14.912 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.327 3.452 -16.511 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.303 3.135 -17.070 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.605 5.315 -15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.114 5.665 -16.150 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.025 4.789 -18.096 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.482 7.499 -15.872 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.353 8.659 -16.881 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.151 6.287 -19.401 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.301 7.970 -18.886 1.00 0.00 H new ATOM 341 N ASP A 27 -3.142 0.760 -15.950 1.00 0.00 N ATOM 342 CA ASP A 27 -3.679 -0.021 -17.051 1.00 0.00 C ATOM 343 C ASP A 27 -5.181 0.241 -17.171 1.00 0.00 C ATOM 344 O ASP A 27 -5.708 0.362 -18.276 1.00 0.00 O ATOM 345 CB ASP A 27 -3.478 -1.519 -16.814 1.00 0.00 C ATOM 346 CG ASP A 27 -2.883 -2.287 -17.996 1.00 0.00 C ATOM 347 OD1 ASP A 27 -2.806 -1.680 -19.086 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.519 -3.464 -17.783 1.00 0.00 O ATOM 0 H ASP A 27 -2.764 0.208 -15.181 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.155 0.273 -17.960 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.827 -1.651 -15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.440 -1.963 -16.559 1.00 0.00 H new ATOM 353 N PHE A 28 -5.830 0.322 -16.018 1.00 0.00 N ATOM 354 CA PHE A 28 -7.261 0.568 -15.980 1.00 0.00 C ATOM 355 C PHE A 28 -7.560 2.069 -15.966 1.00 0.00 C ATOM 356 O PHE A 28 -8.715 2.474 -15.852 1.00 0.00 O ATOM 357 CB PHE A 28 -7.788 -0.057 -14.687 1.00 0.00 C ATOM 358 CG PHE A 28 -7.782 -1.587 -14.688 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.670 -2.263 -14.293 1.00 0.00 C ATOM 360 CD2 PHE A 28 -8.889 -2.271 -15.083 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.664 -3.683 -14.294 1.00 0.00 C ATOM 362 CE2 PHE A 28 -8.884 -3.691 -15.083 1.00 0.00 C ATOM 363 CZ PHE A 28 -7.771 -4.367 -14.689 1.00 0.00 C ATOM 0 H PHE A 28 -5.390 0.221 -15.103 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.736 0.139 -16.862 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.184 0.298 -13.852 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.806 0.292 -14.516 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.791 -1.720 -13.978 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.772 -1.734 -15.397 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.781 -4.220 -13.981 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.764 -4.234 -15.396 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.767 -5.447 -14.690 1.00 0.00 H new ATOM 373 N HIS A 29 -6.497 2.852 -16.084 1.00 0.00 N ATOM 374 CA HIS A 29 -6.631 4.299 -16.086 1.00 0.00 C ATOM 375 C HIS A 29 -7.306 4.754 -14.790 1.00 0.00 C ATOM 376 O HIS A 29 -8.050 5.733 -14.785 1.00 0.00 O ATOM 377 CB HIS A 29 -7.370 4.774 -17.338 1.00 0.00 C ATOM 378 CG HIS A 29 -6.612 4.542 -18.624 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.554 5.479 -19.640 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.882 3.470 -19.046 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.820 4.983 -20.625 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.405 3.738 -20.256 1.00 0.00 N ATOM 0 H HIS A 29 -5.540 2.512 -16.179 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.644 4.759 -16.121 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.330 4.262 -17.397 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.582 5.839 -17.240 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.720 2.558 -18.491 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.591 5.478 -21.557 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.824 3.115 -20.817 1.00 0.00 H new ATOM 390 N THR A 30 -7.023 4.020 -13.724 1.00 0.00 N ATOM 391 CA THR A 30 -7.594 4.336 -12.426 1.00 0.00 C ATOM 392 C THR A 30 -6.519 4.268 -11.339 1.00 0.00 C ATOM 393 O THR A 30 -5.464 3.668 -11.541 1.00 0.00 O ATOM 394 CB THR A 30 -8.766 3.384 -12.180 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.303 2.129 -12.671 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.976 3.705 -13.061 1.00 0.00 C ATOM 0 H THR A 30 -6.406 3.208 -13.733 1.00 0.00 H new ATOM 0 HA THR A 30 -7.974 5.357 -12.400 1.00 0.00 H new ATOM 0 HB THR A 30 -9.058 3.431 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.070 1.556 -12.879 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.779 3.000 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.318 4.719 -12.854 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.693 3.625 -14.111 1.00 0.00 H new ATOM 404 N PRO A 31 -6.830 4.909 -10.181 1.00 0.00 N ATOM 405 CA PRO A 31 -5.903 4.927 -9.063 1.00 0.00 C ATOM 406 C PRO A 31 -5.879 3.574 -8.348 1.00 0.00 C ATOM 407 O PRO A 31 -6.914 2.926 -8.204 1.00 0.00 O ATOM 408 CB PRO A 31 -6.383 6.061 -8.172 1.00 0.00 C ATOM 409 CG PRO A 31 -7.822 6.332 -8.581 1.00 0.00 C ATOM 410 CD PRO A 31 -8.069 5.631 -9.906 1.00 0.00 C ATOM 0 HA PRO A 31 -4.872 5.092 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.322 5.784 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.766 6.950 -8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.511 5.964 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.996 7.404 -8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.918 4.950 -9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.294 6.347 -10.697 1.00 0.00 H new ATOM 418 N ILE A 32 -4.686 3.188 -7.921 1.00 0.00 N ATOM 419 CA ILE A 32 -4.514 1.924 -7.225 1.00 0.00 C ATOM 420 C ILE A 32 -5.241 1.984 -5.880 1.00 0.00 C ATOM 421 O ILE A 32 -4.801 2.676 -4.963 1.00 0.00 O ATOM 422 CB ILE A 32 -3.028 1.576 -7.106 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.365 1.529 -8.484 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.831 0.273 -6.329 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.419 0.116 -9.070 1.00 0.00 C ATOM 0 H ILE A 32 -3.829 3.728 -8.043 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.964 1.111 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.535 2.366 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.866 2.225 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.328 1.854 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.767 0.049 -6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.246 0.381 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.340 -0.540 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.941 0.110 -10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.896 -0.573 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.458 -0.196 -9.171 1.00 0.00 H new ATOM 437 N ILE A 33 -6.341 1.250 -5.805 1.00 0.00 N ATOM 438 CA ILE A 33 -7.133 1.211 -4.588 1.00 0.00 C ATOM 439 C ILE A 33 -7.170 -0.223 -4.054 1.00 0.00 C ATOM 440 O ILE A 33 -7.189 -1.177 -4.830 1.00 0.00 O ATOM 441 CB ILE A 33 -8.519 1.812 -4.831 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.425 3.317 -5.093 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.467 1.490 -3.673 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.325 3.726 -6.261 1.00 0.00 C ATOM 0 H ILE A 33 -6.703 0.677 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.674 1.828 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.938 1.354 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.715 3.865 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.392 3.588 -5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.445 1.929 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.567 0.409 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.065 1.903 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.240 4.800 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.017 3.194 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.360 3.475 -6.028 1.00 0.00 H new ATOM 456 N VAL A 34 -7.179 -0.329 -2.734 1.00 0.00 N ATOM 457 CA VAL A 34 -7.213 -1.630 -2.087 1.00 0.00 C ATOM 458 C VAL A 34 -8.644 -2.172 -2.117 1.00 0.00 C ATOM 459 O VAL A 34 -9.599 -1.422 -1.922 1.00 0.00 O ATOM 460 CB VAL A 34 -6.642 -1.526 -0.672 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.731 -2.870 0.055 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.202 -1.010 -0.697 1.00 0.00 C ATOM 0 H VAL A 34 -7.163 0.465 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.585 -2.341 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.245 -0.805 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.318 -2.769 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.774 -3.180 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.164 -3.620 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.821 -0.946 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.580 -1.694 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.178 -0.022 -1.156 1.00 0.00 H new ATOM 472 N THR A 35 -8.746 -3.470 -2.363 1.00 0.00 N ATOM 473 CA THR A 35 -10.044 -4.121 -2.420 1.00 0.00 C ATOM 474 C THR A 35 -10.272 -4.967 -1.167 1.00 0.00 C ATOM 475 O THR A 35 -11.311 -4.855 -0.518 1.00 0.00 O ATOM 476 CB THR A 35 -10.111 -4.927 -3.719 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.240 -6.031 -3.487 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.473 -4.191 -4.899 1.00 0.00 C ATOM 0 H THR A 35 -7.951 -4.088 -2.525 1.00 0.00 H new ATOM 0 HA THR A 35 -10.853 -3.391 -2.431 1.00 0.00 H new ATOM 0 HB THR A 35 -11.151 -5.153 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.754 -6.782 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.548 -4.807 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.993 -3.247 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.423 -3.994 -4.680 1.00 0.00 H new ATOM 486 N LYS A 36 -9.283 -5.796 -0.863 1.00 0.00 N ATOM 487 CA LYS A 36 -9.363 -6.661 0.301 1.00 0.00 C ATOM 488 C LYS A 36 -8.173 -6.383 1.221 1.00 0.00 C ATOM 489 O LYS A 36 -7.133 -5.905 0.769 1.00 0.00 O ATOM 490 CB LYS A 36 -9.480 -8.126 -0.127 1.00 0.00 C ATOM 491 CG LYS A 36 -10.720 -8.779 0.488 1.00 0.00 C ATOM 492 CD LYS A 36 -10.357 -9.568 1.747 1.00 0.00 C ATOM 493 CE LYS A 36 -11.603 -10.178 2.391 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.243 -11.369 3.192 1.00 0.00 N ATOM 0 H LYS A 36 -8.422 -5.886 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.266 -6.447 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.533 -8.188 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.587 -8.671 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.455 -8.012 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.185 -9.443 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.650 -10.358 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.859 -8.912 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.090 -9.439 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.320 -10.455 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.101 -11.770 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.799 -12.080 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.576 -11.095 3.941 1.00 0.00 H new ATOM 508 N VAL A 37 -8.364 -6.693 2.495 1.00 0.00 N ATOM 509 CA VAL A 37 -7.319 -6.482 3.482 1.00 0.00 C ATOM 510 C VAL A 37 -7.356 -7.617 4.507 1.00 0.00 C ATOM 511 O VAL A 37 -8.169 -7.599 5.430 1.00 0.00 O ATOM 512 CB VAL A 37 -7.470 -5.098 4.116 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.507 -4.926 5.293 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.268 -3.994 3.076 1.00 0.00 C ATOM 0 H VAL A 37 -9.228 -7.089 2.866 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.337 -6.502 3.010 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.487 -5.014 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.635 -3.934 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.718 -5.682 6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.481 -5.040 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.381 -3.020 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.269 -4.075 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.011 -4.099 2.285 1.00 0.00 H new ATOM 524 N THR A 38 -6.465 -8.578 4.312 1.00 0.00 N ATOM 525 CA THR A 38 -6.385 -9.718 5.208 1.00 0.00 C ATOM 526 C THR A 38 -6.382 -9.252 6.666 1.00 0.00 C ATOM 527 O THR A 38 -5.654 -8.328 7.024 1.00 0.00 O ATOM 528 CB THR A 38 -5.147 -10.532 4.829 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.404 -10.953 3.492 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.041 -11.840 5.617 1.00 0.00 C ATOM 0 H THR A 38 -5.792 -8.590 3.546 1.00 0.00 H new ATOM 0 HA THR A 38 -7.259 -10.362 5.107 1.00 0.00 H new ATOM 0 HB THR A 38 -4.253 -9.932 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.281 -10.196 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.145 -12.379 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.983 -11.619 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.919 -12.455 5.421 1.00 0.00 H new ATOM 606 N ALA A 43 -0.676 -6.485 6.476 1.00 0.00 N ATOM 607 CA ALA A 43 -1.240 -5.185 6.151 1.00 0.00 C ATOM 608 C ALA A 43 -1.998 -4.645 7.365 1.00 0.00 C ATOM 609 O ALA A 43 -1.556 -3.692 8.005 1.00 0.00 O ATOM 610 CB ALA A 43 -2.132 -5.310 4.915 1.00 0.00 C ATOM 0 HA ALA A 43 -0.450 -4.473 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.555 -4.335 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.540 -5.669 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.938 -6.015 5.118 1.00 0.00 H new ATOM 616 N GLU A 44 -3.128 -5.278 7.647 1.00 0.00 N ATOM 617 CA GLU A 44 -3.952 -4.873 8.773 1.00 0.00 C ATOM 618 C GLU A 44 -3.072 -4.488 9.963 1.00 0.00 C ATOM 619 O GLU A 44 -3.315 -3.475 10.618 1.00 0.00 O ATOM 620 CB GLU A 44 -4.939 -5.978 9.156 1.00 0.00 C ATOM 621 CG GLU A 44 -5.887 -5.508 10.260 1.00 0.00 C ATOM 622 CD GLU A 44 -5.484 -6.093 11.615 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.526 -5.548 12.206 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.141 -7.071 12.029 1.00 0.00 O ATOM 0 H GLU A 44 -3.492 -6.068 7.115 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.533 -3.999 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.515 -6.276 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.392 -6.859 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.878 -4.419 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.907 -5.807 10.020 1.00 0.00 H new ATOM 631 N ALA A 45 -2.067 -5.316 10.208 1.00 0.00 N ATOM 632 CA ALA A 45 -1.149 -5.075 11.308 1.00 0.00 C ATOM 633 C ALA A 45 -0.797 -3.587 11.356 1.00 0.00 C ATOM 634 O ALA A 45 -0.857 -2.964 12.415 1.00 0.00 O ATOM 635 CB ALA A 45 0.087 -5.962 11.146 1.00 0.00 C ATOM 0 H ALA A 45 -1.868 -6.155 9.663 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.614 -5.335 12.259 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.776 -5.781 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.214 -7.010 11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.581 -5.728 10.203 1.00 0.00 H new ATOM 641 N ALA A 46 -0.437 -3.059 10.195 1.00 0.00 N ATOM 642 CA ALA A 46 -0.075 -1.656 10.090 1.00 0.00 C ATOM 643 C ALA A 46 -1.337 -0.798 10.201 1.00 0.00 C ATOM 644 O ALA A 46 -1.771 -0.466 11.302 1.00 0.00 O ATOM 645 CB ALA A 46 0.679 -1.419 8.780 1.00 0.00 C ATOM 0 H ALA A 46 -0.388 -3.578 9.318 1.00 0.00 H new ATOM 0 HA ALA A 46 0.590 -1.370 10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.950 -0.366 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.582 -2.029 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.042 -1.693 7.939 1.00 0.00 H new ATOM 651 N ASP A 47 -1.890 -0.465 9.044 1.00 0.00 N ATOM 652 CA ASP A 47 -3.094 0.348 8.997 1.00 0.00 C ATOM 653 C ASP A 47 -3.600 0.418 7.555 1.00 0.00 C ATOM 654 O ASP A 47 -4.120 1.447 7.125 1.00 0.00 O ATOM 655 CB ASP A 47 -2.813 1.775 9.470 1.00 0.00 C ATOM 656 CG ASP A 47 -3.787 2.310 10.523 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.620 1.503 10.987 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.675 3.514 10.839 1.00 0.00 O ATOM 0 H ASP A 47 -1.527 -0.743 8.132 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.836 -0.109 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.803 1.815 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.834 2.439 8.606 1.00 0.00 H new ATOM 663 N LEU A 48 -3.430 -0.688 6.846 1.00 0.00 N ATOM 664 CA LEU A 48 -3.863 -0.765 5.462 1.00 0.00 C ATOM 665 C LEU A 48 -5.331 -1.192 5.414 1.00 0.00 C ATOM 666 O LEU A 48 -5.705 -2.208 5.997 1.00 0.00 O ATOM 667 CB LEU A 48 -2.931 -1.674 4.658 1.00 0.00 C ATOM 668 CG LEU A 48 -3.163 -1.705 3.146 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.128 -0.293 2.558 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.166 -2.638 2.457 1.00 0.00 C ATOM 0 H LEU A 48 -2.998 -1.539 7.205 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.800 0.215 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.903 -1.360 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.028 -2.690 5.041 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.159 -2.107 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.295 -0.343 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.908 0.313 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.155 0.158 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.353 -2.641 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.151 -2.290 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.283 -3.648 2.849 1.00 0.00 H new ATOM 682 N ARG A 49 -6.124 -0.394 4.713 1.00 0.00 N ATOM 683 CA ARG A 49 -7.543 -0.677 4.581 1.00 0.00 C ATOM 684 C ARG A 49 -7.949 -0.679 3.106 1.00 0.00 C ATOM 685 O ARG A 49 -7.279 -0.070 2.274 1.00 0.00 O ATOM 686 CB ARG A 49 -8.383 0.357 5.333 1.00 0.00 C ATOM 687 CG ARG A 49 -9.028 -0.259 6.576 1.00 0.00 C ATOM 688 CD ARG A 49 -9.314 0.810 7.633 1.00 0.00 C ATOM 689 NE ARG A 49 -8.518 0.542 8.852 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.822 1.016 10.067 1.00 0.00 C ATOM 691 NH1 ARG A 49 -9.907 1.785 10.234 1.00 0.00 N ATOM 692 NH2 ARG A 49 -8.042 0.722 11.116 1.00 0.00 N ATOM 0 H ARG A 49 -5.810 0.448 4.231 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.726 -1.661 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.755 1.199 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.157 0.750 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.956 -0.759 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.369 -1.020 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.070 1.797 7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.376 0.817 7.877 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.686 -0.040 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.501 2.009 9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.139 2.146 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.216 0.137 10.989 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.274 1.083 12.041 1.00 0.00 H new ATOM 706 N PRO A 50 -9.074 -1.389 2.821 1.00 0.00 N ATOM 707 CA PRO A 50 -9.577 -1.478 1.461 1.00 0.00 C ATOM 708 C PRO A 50 -10.253 -0.172 1.040 1.00 0.00 C ATOM 709 O PRO A 50 -11.187 0.288 1.695 1.00 0.00 O ATOM 710 CB PRO A 50 -10.529 -2.663 1.471 1.00 0.00 C ATOM 711 CG PRO A 50 -10.879 -2.904 2.930 1.00 0.00 C ATOM 712 CD PRO A 50 -9.892 -2.123 3.782 1.00 0.00 C ATOM 0 HA PRO A 50 -8.784 -1.627 0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.423 -2.451 0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.061 -3.544 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.900 -2.581 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.827 -3.967 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.406 -1.445 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.283 -2.789 4.394 1.00 0.00 H new ATOM 720 N GLY A 51 -9.755 0.390 -0.052 1.00 0.00 N ATOM 721 CA GLY A 51 -10.299 1.634 -0.569 1.00 0.00 C ATOM 722 C GLY A 51 -9.222 2.719 -0.634 1.00 0.00 C ATOM 723 O GLY A 51 -9.318 3.648 -1.434 1.00 0.00 O ATOM 0 H GLY A 51 -8.980 0.006 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.714 1.468 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.119 1.968 0.067 1.00 0.00 H new ATOM 727 N ASP A 52 -8.219 2.564 0.219 1.00 0.00 N ATOM 728 CA ASP A 52 -7.125 3.518 0.268 1.00 0.00 C ATOM 729 C ASP A 52 -6.497 3.640 -1.122 1.00 0.00 C ATOM 730 O ASP A 52 -6.151 2.635 -1.741 1.00 0.00 O ATOM 731 CB ASP A 52 -6.036 3.058 1.240 1.00 0.00 C ATOM 732 CG ASP A 52 -6.529 2.712 2.646 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.693 2.268 2.747 1.00 0.00 O ATOM 734 OD2 ASP A 52 -5.730 2.899 3.590 1.00 0.00 O ATOM 0 H ASP A 52 -8.142 1.792 0.881 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.527 4.474 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.541 2.183 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.284 3.843 1.318 1.00 0.00 H new ATOM 739 N ILE A 53 -6.369 4.880 -1.571 1.00 0.00 N ATOM 740 CA ILE A 53 -5.789 5.146 -2.877 1.00 0.00 C ATOM 741 C ILE A 53 -4.265 5.188 -2.754 1.00 0.00 C ATOM 742 O ILE A 53 -3.716 6.069 -2.094 1.00 0.00 O ATOM 743 CB ILE A 53 -6.393 6.415 -3.483 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.873 6.214 -3.813 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.591 6.875 -4.702 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.586 7.558 -3.972 1.00 0.00 C ATOM 0 H ILE A 53 -6.657 5.711 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.031 4.342 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.334 7.210 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.969 5.636 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.351 5.636 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.041 7.778 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.564 7.085 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.596 6.090 -5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.637 7.387 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.509 8.123 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.121 8.123 -4.780 1.00 0.00 H new ATOM 758 N ILE A 54 -3.624 4.225 -3.400 1.00 0.00 N ATOM 759 CA ILE A 54 -2.174 4.142 -3.371 1.00 0.00 C ATOM 760 C ILE A 54 -1.586 5.223 -4.280 1.00 0.00 C ATOM 761 O ILE A 54 -1.781 5.191 -5.495 1.00 0.00 O ATOM 762 CB ILE A 54 -1.712 2.726 -3.721 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.805 1.802 -2.505 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.305 2.741 -4.322 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.636 0.337 -2.915 1.00 0.00 C ATOM 0 H ILE A 54 -4.082 3.496 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.802 4.335 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.383 2.327 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.037 2.071 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.769 1.937 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.001 1.722 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.304 3.343 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.393 3.168 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.706 -0.298 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.420 0.064 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.661 0.200 -3.384 1.00 0.00 H new ATOM 777 N VAL A 55 -0.879 6.155 -3.658 1.00 0.00 N ATOM 778 CA VAL A 55 -0.263 7.244 -4.397 1.00 0.00 C ATOM 779 C VAL A 55 1.105 6.793 -4.914 1.00 0.00 C ATOM 780 O VAL A 55 1.441 7.024 -6.075 1.00 0.00 O ATOM 781 CB VAL A 55 -0.187 8.494 -3.518 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.264 9.765 -4.367 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.282 8.481 -2.450 1.00 0.00 C ATOM 0 H VAL A 55 -0.719 6.179 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.868 7.508 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 55 0.777 8.488 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.208 10.640 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.567 9.782 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.206 9.780 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.205 9.381 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.259 8.452 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.163 7.602 -1.817 1.00 0.00 H new ATOM 793 N ALA A 56 1.857 6.157 -4.028 1.00 0.00 N ATOM 794 CA ALA A 56 3.181 5.672 -4.381 1.00 0.00 C ATOM 795 C ALA A 56 3.369 4.261 -3.819 1.00 0.00 C ATOM 796 O ALA A 56 2.505 3.754 -3.105 1.00 0.00 O ATOM 797 CB ALA A 56 4.238 6.651 -3.865 1.00 0.00 C ATOM 0 H ALA A 56 1.575 5.966 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 56 3.292 5.613 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.231 6.287 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.078 7.630 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.159 6.734 -2.781 1.00 0.00 H new ATOM 803 N ILE A 57 4.503 3.668 -4.162 1.00 0.00 N ATOM 804 CA ILE A 57 4.815 2.326 -3.700 1.00 0.00 C ATOM 805 C ILE A 57 6.266 2.283 -3.216 1.00 0.00 C ATOM 806 O ILE A 57 7.191 2.217 -4.023 1.00 0.00 O ATOM 807 CB ILE A 57 4.499 1.299 -4.788 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.988 1.163 -4.992 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.159 -0.047 -4.480 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.674 0.208 -6.146 1.00 0.00 C ATOM 0 H ILE A 57 5.217 4.092 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 57 4.187 2.059 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 57 4.920 1.657 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.525 0.796 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.556 2.142 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.918 -0.759 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.240 0.082 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.789 -0.424 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.594 0.129 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.118 0.590 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.087 -0.777 -5.926 1.00 0.00 H new ATOM 822 N ASN A 58 6.418 2.322 -1.900 1.00 0.00 N ATOM 823 CA ASN A 58 7.740 2.287 -1.299 1.00 0.00 C ATOM 824 C ASN A 58 8.372 3.678 -1.388 1.00 0.00 C ATOM 825 O ASN A 58 9.500 3.881 -0.939 1.00 0.00 O ATOM 826 CB ASN A 58 8.654 1.305 -2.034 1.00 0.00 C ATOM 827 CG ASN A 58 9.676 0.686 -1.078 1.00 0.00 C ATOM 828 OD1 ASN A 58 10.785 1.167 -0.916 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.241 -0.406 -0.455 1.00 0.00 N ATOM 0 H ASN A 58 5.648 2.377 -1.234 1.00 0.00 H new ATOM 0 HA ASN A 58 7.631 1.970 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.055 0.517 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.173 1.821 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.848 -0.893 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.300 -0.756 -0.636 1.00 0.00 H new ATOM 836 N GLY A 59 7.619 4.599 -1.969 1.00 0.00 N ATOM 837 CA GLY A 59 8.091 5.965 -2.122 1.00 0.00 C ATOM 838 C GLY A 59 8.050 6.398 -3.589 1.00 0.00 C ATOM 839 O GLY A 59 8.244 7.573 -3.899 1.00 0.00 O ATOM 0 H GLY A 59 6.685 4.427 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.474 6.636 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.110 6.046 -1.743 1.00 0.00 H new ATOM 843 N GLN A 60 7.798 5.426 -4.453 1.00 0.00 N ATOM 844 CA GLN A 60 7.729 5.692 -5.880 1.00 0.00 C ATOM 845 C GLN A 60 6.276 5.902 -6.312 1.00 0.00 C ATOM 846 O GLN A 60 5.410 5.084 -6.007 1.00 0.00 O ATOM 847 CB GLN A 60 8.380 4.562 -6.680 1.00 0.00 C ATOM 848 CG GLN A 60 7.950 4.611 -8.148 1.00 0.00 C ATOM 849 CD GLN A 60 9.148 4.405 -9.077 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.283 4.273 -8.650 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.833 4.384 -10.369 1.00 0.00 N ATOM 0 H GLN A 60 7.639 4.453 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 60 8.285 6.607 -6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.465 4.642 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.104 3.600 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.202 3.841 -8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.481 5.571 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.862 4.501 -10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.562 4.251 -11.070 1.00 0.00 H new ATOM 860 N SER A 61 6.055 7.004 -7.014 1.00 0.00 N ATOM 861 CA SER A 61 4.722 7.333 -7.490 1.00 0.00 C ATOM 862 C SER A 61 4.054 6.087 -8.076 1.00 0.00 C ATOM 863 O SER A 61 4.731 5.200 -8.592 1.00 0.00 O ATOM 864 CB SER A 61 4.770 8.450 -8.534 1.00 0.00 C ATOM 865 OG SER A 61 4.519 9.729 -7.959 1.00 0.00 O ATOM 0 H SER A 61 6.776 7.680 -7.265 1.00 0.00 H new ATOM 0 HA SER A 61 4.135 7.689 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.748 8.455 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.033 8.251 -9.312 1.00 0.00 H new ATOM 0 HG SER A 61 4.560 10.415 -8.657 1.00 0.00 H new ATOM 871 N ALA A 62 2.733 6.061 -7.976 1.00 0.00 N ATOM 872 CA ALA A 62 1.966 4.939 -8.489 1.00 0.00 C ATOM 873 C ALA A 62 0.815 5.465 -9.349 1.00 0.00 C ATOM 874 O ALA A 62 -0.093 4.714 -9.703 1.00 0.00 O ATOM 875 CB ALA A 62 1.476 4.079 -7.322 1.00 0.00 C ATOM 0 H ALA A 62 2.175 6.799 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 62 2.588 4.306 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.900 3.237 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.332 3.706 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.846 4.680 -6.667 1.00 0.00 H new ATOM 881 N GLU A 63 0.891 6.750 -9.662 1.00 0.00 N ATOM 882 CA GLU A 63 -0.132 7.385 -10.474 1.00 0.00 C ATOM 883 C GLU A 63 -0.221 6.706 -11.842 1.00 0.00 C ATOM 884 O GLU A 63 -1.313 6.516 -12.375 1.00 0.00 O ATOM 885 CB GLU A 63 0.136 8.884 -10.622 1.00 0.00 C ATOM 886 CG GLU A 63 -0.819 9.701 -9.750 1.00 0.00 C ATOM 887 CD GLU A 63 -1.065 11.085 -10.355 1.00 0.00 C ATOM 888 OE1 GLU A 63 -1.800 11.141 -11.364 1.00 0.00 O ATOM 889 OE2 GLU A 63 -0.512 12.055 -9.794 1.00 0.00 O ATOM 0 H GLU A 63 1.646 7.369 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.091 7.270 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.167 9.102 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.021 9.176 -11.666 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.766 9.172 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.402 9.807 -8.748 1.00 0.00 H new ATOM 896 N ASN A 64 0.943 6.358 -12.371 1.00 0.00 N ATOM 897 CA ASN A 64 1.010 5.704 -13.667 1.00 0.00 C ATOM 898 C ASN A 64 1.551 4.284 -13.489 1.00 0.00 C ATOM 899 O ASN A 64 2.431 3.853 -14.233 1.00 0.00 O ATOM 900 CB ASN A 64 1.950 6.453 -14.614 1.00 0.00 C ATOM 901 CG ASN A 64 1.311 7.753 -15.106 1.00 0.00 C ATOM 902 OD1 ASN A 64 0.578 8.422 -14.396 1.00 0.00 O ATOM 903 ND2 ASN A 64 1.627 8.071 -16.358 1.00 0.00 N ATOM 0 H ASN A 64 1.847 6.517 -11.926 1.00 0.00 H new ATOM 0 HA ASN A 64 0.006 5.692 -14.091 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.886 6.675 -14.102 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.195 5.819 -15.466 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.250 8.920 -16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.247 7.466 -16.897 1.00 0.00 H new ATOM 910 N MET A 65 1.003 3.596 -12.499 1.00 0.00 N ATOM 911 CA MET A 65 1.419 2.233 -12.214 1.00 0.00 C ATOM 912 C MET A 65 0.367 1.228 -12.687 1.00 0.00 C ATOM 913 O MET A 65 -0.789 1.293 -12.273 1.00 0.00 O ATOM 914 CB MET A 65 1.640 2.071 -10.709 1.00 0.00 C ATOM 915 CG MET A 65 3.128 2.154 -10.361 1.00 0.00 C ATOM 916 SD MET A 65 3.363 1.884 -8.612 1.00 0.00 S ATOM 917 CE MET A 65 5.092 2.301 -8.464 1.00 0.00 C ATOM 0 H MET A 65 0.274 3.957 -11.884 1.00 0.00 H new ATOM 0 HA MET A 65 2.348 2.037 -12.750 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.094 2.846 -10.172 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.239 1.112 -10.380 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.685 1.410 -10.930 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.522 3.131 -10.643 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.664 1.404 -8.228 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.447 2.720 -9.405 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.223 3.034 -7.668 1.00 0.00 H new ATOM 927 N LEU A 66 0.806 0.321 -13.548 1.00 0.00 N ATOM 928 CA LEU A 66 -0.084 -0.696 -14.081 1.00 0.00 C ATOM 929 C LEU A 66 -0.510 -1.637 -12.953 1.00 0.00 C ATOM 930 O LEU A 66 0.223 -1.821 -11.982 1.00 0.00 O ATOM 931 CB LEU A 66 0.570 -1.412 -15.265 1.00 0.00 C ATOM 932 CG LEU A 66 1.202 -0.511 -16.328 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.517 -1.103 -16.837 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.218 -0.235 -17.467 1.00 0.00 C ATOM 0 H LEU A 66 1.766 0.270 -13.889 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.992 -0.239 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.340 -2.081 -14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.182 -2.036 -15.747 1.00 0.00 H new ATOM 0 HG LEU A 66 1.438 0.448 -15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.945 -0.443 -17.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.215 -1.206 -16.006 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.329 -2.083 -17.276 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.692 0.408 -18.209 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.072 -1.176 -17.934 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.668 0.261 -17.070 1.00 0.00 H new ATOM 946 N HIS A 67 -1.694 -2.209 -13.118 1.00 0.00 N ATOM 947 CA HIS A 67 -2.227 -3.127 -12.125 1.00 0.00 C ATOM 948 C HIS A 67 -1.205 -4.231 -11.846 1.00 0.00 C ATOM 949 O HIS A 67 -1.243 -4.865 -10.793 1.00 0.00 O ATOM 950 CB HIS A 67 -3.586 -3.674 -12.565 1.00 0.00 C ATOM 951 CG HIS A 67 -4.286 -4.499 -11.512 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.286 -3.990 -10.702 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.120 -5.803 -11.146 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.696 -4.952 -9.888 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.972 -6.074 -10.164 1.00 0.00 N ATOM 0 H HIS A 67 -2.299 -2.055 -13.924 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.400 -2.596 -11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.229 -2.839 -12.845 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.449 -4.284 -13.458 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.646 -3.036 -10.727 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.416 -6.497 -11.581 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.468 -4.863 -9.138 1.00 0.00 H new ATOM 963 N ALA A 68 -0.316 -4.427 -12.809 1.00 0.00 N ATOM 964 CA ALA A 68 0.714 -5.444 -12.681 1.00 0.00 C ATOM 965 C ALA A 68 1.978 -4.812 -12.093 1.00 0.00 C ATOM 966 O ALA A 68 2.784 -5.497 -11.465 1.00 0.00 O ATOM 967 CB ALA A 68 0.966 -6.091 -14.044 1.00 0.00 C ATOM 0 H ALA A 68 -0.288 -3.899 -13.681 1.00 0.00 H new ATOM 0 HA ALA A 68 0.392 -6.233 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.739 -6.854 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.046 -6.550 -14.404 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.294 -5.330 -14.753 1.00 0.00 H new ATOM 973 N GLU A 69 2.111 -3.513 -12.318 1.00 0.00 N ATOM 974 CA GLU A 69 3.263 -2.782 -11.818 1.00 0.00 C ATOM 975 C GLU A 69 3.206 -2.680 -10.293 1.00 0.00 C ATOM 976 O GLU A 69 4.134 -3.102 -9.604 1.00 0.00 O ATOM 977 CB GLU A 69 3.350 -1.394 -12.457 1.00 0.00 C ATOM 978 CG GLU A 69 3.823 -1.488 -13.909 1.00 0.00 C ATOM 979 CD GLU A 69 5.293 -1.080 -14.035 1.00 0.00 C ATOM 980 OE1 GLU A 69 6.124 -1.742 -13.377 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.551 -0.115 -14.786 1.00 0.00 O ATOM 0 H GLU A 69 1.441 -2.948 -12.839 1.00 0.00 H new ATOM 0 HA GLU A 69 4.164 -3.330 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.374 -0.910 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.037 -0.769 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.692 -2.507 -14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.208 -0.844 -14.538 1.00 0.00 H new ATOM 988 N ALA A 70 2.108 -2.118 -9.809 1.00 0.00 N ATOM 989 CA ALA A 70 1.918 -1.956 -8.378 1.00 0.00 C ATOM 990 C ALA A 70 1.878 -3.334 -7.714 1.00 0.00 C ATOM 991 O ALA A 70 2.296 -3.486 -6.567 1.00 0.00 O ATOM 992 CB ALA A 70 0.646 -1.147 -8.120 1.00 0.00 C ATOM 0 H ALA A 70 1.341 -1.769 -10.383 1.00 0.00 H new ATOM 0 HA ALA A 70 2.750 -1.403 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.504 -1.026 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.737 -0.166 -8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.211 -1.672 -8.543 1.00 0.00 H new ATOM 998 N GLN A 71 1.371 -4.302 -8.463 1.00 0.00 N ATOM 999 CA GLN A 71 1.270 -5.662 -7.961 1.00 0.00 C ATOM 1000 C GLN A 71 2.656 -6.306 -7.893 1.00 0.00 C ATOM 1001 O GLN A 71 2.957 -7.043 -6.955 1.00 0.00 O ATOM 1002 CB GLN A 71 0.320 -6.495 -8.822 1.00 0.00 C ATOM 1003 CG GLN A 71 -1.139 -6.217 -8.456 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.508 -6.884 -7.130 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.885 -6.670 -6.103 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.554 -7.702 -7.208 1.00 0.00 N ATOM 0 H GLN A 71 1.026 -4.172 -9.414 1.00 0.00 H new ATOM 0 HA GLN A 71 0.857 -5.627 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.484 -6.267 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.537 -7.555 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.301 -5.142 -8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.793 -6.585 -9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.031 -7.836 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.879 -8.195 -6.376 1.00 0.00 H new ATOM 1015 N SER A 72 3.464 -6.005 -8.899 1.00 0.00 N ATOM 1016 CA SER A 72 4.811 -6.546 -8.965 1.00 0.00 C ATOM 1017 C SER A 72 5.733 -5.771 -8.021 1.00 0.00 C ATOM 1018 O SER A 72 6.548 -6.366 -7.318 1.00 0.00 O ATOM 1019 CB SER A 72 5.354 -6.499 -10.395 1.00 0.00 C ATOM 1020 OG SER A 72 6.645 -7.093 -10.495 1.00 0.00 O ATOM 0 H SER A 72 3.212 -5.393 -9.675 1.00 0.00 H new ATOM 0 HA SER A 72 4.776 -7.590 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.664 -7.016 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.405 -5.463 -10.730 1.00 0.00 H new ATOM 0 HG SER A 72 6.956 -7.045 -11.423 1.00 0.00 H new ATOM 1026 N LYS A 73 5.573 -4.456 -8.037 1.00 0.00 N ATOM 1027 CA LYS A 73 6.380 -3.594 -7.191 1.00 0.00 C ATOM 1028 C LYS A 73 6.157 -3.971 -5.725 1.00 0.00 C ATOM 1029 O LYS A 73 7.108 -4.279 -5.008 1.00 0.00 O ATOM 1030 CB LYS A 73 6.095 -2.122 -7.498 1.00 0.00 C ATOM 1031 CG LYS A 73 7.142 -1.549 -8.455 1.00 0.00 C ATOM 1032 CD LYS A 73 6.489 -1.045 -9.744 1.00 0.00 C ATOM 1033 CE LYS A 73 7.200 0.204 -10.267 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.340 -0.172 -11.132 1.00 0.00 N ATOM 0 H LYS A 73 4.896 -3.967 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 73 7.440 -3.740 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.103 -2.024 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.091 -1.548 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.675 -0.732 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.881 -2.315 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.519 -1.828 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.439 -0.819 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.498 0.821 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.554 0.805 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.811 0.688 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.017 -0.742 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.994 -0.727 -11.941 1.00 0.00 H new ATOM 1048 N ILE A 74 4.895 -3.935 -5.323 1.00 0.00 N ATOM 1049 CA ILE A 74 4.536 -4.269 -3.956 1.00 0.00 C ATOM 1050 C ILE A 74 5.178 -5.605 -3.576 1.00 0.00 C ATOM 1051 O ILE A 74 5.869 -5.699 -2.563 1.00 0.00 O ATOM 1052 CB ILE A 74 3.016 -4.245 -3.780 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.511 -2.817 -3.561 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.579 -5.186 -2.656 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.009 -2.719 -3.831 1.00 0.00 C ATOM 0 H ILE A 74 4.109 -3.680 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 74 4.926 -3.520 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 74 2.560 -4.610 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.721 -2.506 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.048 -2.133 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.495 -5.150 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.887 -6.204 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.044 -4.875 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.676 -1.694 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.805 -3.007 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.474 -3.386 -3.155 1.00 0.00 H new ATOM 1067 N ARG A 75 4.926 -6.604 -4.408 1.00 0.00 N ATOM 1068 CA ARG A 75 5.470 -7.930 -4.172 1.00 0.00 C ATOM 1069 C ARG A 75 6.993 -7.862 -4.037 1.00 0.00 C ATOM 1070 O ARG A 75 7.555 -8.351 -3.059 1.00 0.00 O ATOM 1071 CB ARG A 75 5.108 -8.885 -5.312 1.00 0.00 C ATOM 1072 CG ARG A 75 4.556 -10.204 -4.767 1.00 0.00 C ATOM 1073 CD ARG A 75 5.588 -11.326 -4.898 1.00 0.00 C ATOM 1074 NE ARG A 75 4.953 -12.633 -4.616 1.00 0.00 N ATOM 1075 CZ ARG A 75 4.674 -13.082 -3.385 1.00 0.00 C ATOM 1076 NH1 ARG A 75 4.973 -12.333 -2.314 1.00 0.00 N ATOM 1077 NH2 ARG A 75 4.097 -14.281 -3.223 1.00 0.00 N ATOM 0 H ARG A 75 4.352 -6.522 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 75 5.036 -8.307 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.368 -8.418 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.990 -9.080 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.278 -10.081 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.649 -10.474 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.011 -11.327 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.412 -11.156 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 75 4.713 -13.229 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.413 -11.421 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.760 -12.675 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.870 -14.852 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.885 -14.622 -2.286 1.00 0.00 H new ATOM 1091 N GLN A 76 7.617 -7.252 -5.034 1.00 0.00 N ATOM 1092 CA GLN A 76 9.063 -7.114 -5.039 1.00 0.00 C ATOM 1093 C GLN A 76 9.509 -6.164 -3.926 1.00 0.00 C ATOM 1094 O GLN A 76 10.696 -6.087 -3.609 1.00 0.00 O ATOM 1095 CB GLN A 76 9.564 -6.633 -6.403 1.00 0.00 C ATOM 1096 CG GLN A 76 9.155 -7.606 -7.511 1.00 0.00 C ATOM 1097 CD GLN A 76 10.385 -8.229 -8.174 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.411 -8.454 -7.553 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.227 -8.494 -9.468 1.00 0.00 N ATOM 0 H GLN A 76 7.147 -6.848 -5.844 1.00 0.00 H new ATOM 0 HA GLN A 76 9.502 -8.094 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.159 -5.644 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.649 -6.535 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.524 -8.392 -7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.560 -7.082 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.342 -8.281 -9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.991 -8.910 -10.000 1.00 0.00 H new ATOM 1108 N SER A 77 8.535 -5.465 -3.362 1.00 0.00 N ATOM 1109 CA SER A 77 8.813 -4.524 -2.290 1.00 0.00 C ATOM 1110 C SER A 77 9.348 -5.268 -1.065 1.00 0.00 C ATOM 1111 O SER A 77 8.668 -6.132 -0.514 1.00 0.00 O ATOM 1112 CB SER A 77 7.561 -3.725 -1.921 1.00 0.00 C ATOM 1113 OG SER A 77 7.868 -2.372 -1.595 1.00 0.00 O ATOM 0 H SER A 77 7.552 -5.531 -3.627 1.00 0.00 H new ATOM 0 HA SER A 77 9.570 -3.822 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.858 -3.747 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.065 -4.199 -1.074 1.00 0.00 H new ATOM 0 HG SER A 77 7.291 -1.772 -2.112 1.00 0.00 H new ATOM 1119 N ALA A 78 10.561 -4.906 -0.676 1.00 0.00 N ATOM 1120 CA ALA A 78 11.195 -5.529 0.474 1.00 0.00 C ATOM 1121 C ALA A 78 10.541 -5.009 1.755 1.00 0.00 C ATOM 1122 O ALA A 78 9.751 -4.067 1.715 1.00 0.00 O ATOM 1123 CB ALA A 78 12.701 -5.258 0.436 1.00 0.00 C ATOM 0 H ALA A 78 11.122 -4.189 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 78 11.058 -6.610 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.177 -5.725 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.122 -5.673 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.878 -4.183 0.462 1.00 0.00 H new ATOM 1129 N SER A 79 10.895 -5.645 2.862 1.00 0.00 N ATOM 1130 CA SER A 79 10.353 -5.258 4.154 1.00 0.00 C ATOM 1131 C SER A 79 11.334 -4.335 4.878 1.00 0.00 C ATOM 1132 O SER A 79 12.542 -4.562 4.849 1.00 0.00 O ATOM 1133 CB SER A 79 10.047 -6.487 5.013 1.00 0.00 C ATOM 1134 OG SER A 79 11.218 -7.248 5.292 1.00 0.00 O ATOM 0 H SER A 79 11.551 -6.426 2.891 1.00 0.00 H new ATOM 0 HA SER A 79 9.418 -4.723 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.589 -6.170 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.320 -7.116 4.500 1.00 0.00 H new ATOM 0 HG SER A 79 10.981 -8.023 5.844 1.00 0.00 H new ATOM 1140 N PRO A 80 10.763 -3.286 5.529 1.00 0.00 N ATOM 1141 CA PRO A 80 9.323 -3.090 5.514 1.00 0.00 C ATOM 1142 C PRO A 80 8.857 -2.549 4.161 1.00 0.00 C ATOM 1143 O PRO A 80 9.657 -2.019 3.392 1.00 0.00 O ATOM 1144 CB PRO A 80 9.044 -2.136 6.663 1.00 0.00 C ATOM 1145 CG PRO A 80 10.372 -1.470 6.984 1.00 0.00 C ATOM 1146 CD PRO A 80 11.470 -2.263 6.293 1.00 0.00 C ATOM 0 HA PRO A 80 8.771 -4.021 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.294 -1.396 6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.656 -2.671 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.374 -0.436 6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.537 -1.448 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.069 -1.626 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.152 -2.710 7.017 1.00 0.00 H new ATOM 1154 N LEU A 81 7.565 -2.702 3.911 1.00 0.00 N ATOM 1155 CA LEU A 81 6.983 -2.235 2.664 1.00 0.00 C ATOM 1156 C LEU A 81 6.165 -0.970 2.930 1.00 0.00 C ATOM 1157 O LEU A 81 5.142 -1.020 3.612 1.00 0.00 O ATOM 1158 CB LEU A 81 6.185 -3.355 1.993 1.00 0.00 C ATOM 1159 CG LEU A 81 5.218 -2.921 0.890 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.849 -2.561 1.470 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.808 -1.776 0.063 1.00 0.00 C ATOM 0 H LEU A 81 6.904 -3.143 4.551 1.00 0.00 H new ATOM 0 HA LEU A 81 7.766 -1.965 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.888 -4.073 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.617 -3.880 2.761 1.00 0.00 H new ATOM 0 HG LEU A 81 5.070 -3.764 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.181 -2.256 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.430 -3.429 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.959 -1.741 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.101 -1.486 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.004 -0.922 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.740 -2.103 -0.398 1.00 0.00 H new ATOM 1173 N ARG A 82 6.646 0.134 2.378 1.00 0.00 N ATOM 1174 CA ARG A 82 5.972 1.410 2.547 1.00 0.00 C ATOM 1175 C ARG A 82 5.008 1.659 1.385 1.00 0.00 C ATOM 1176 O ARG A 82 5.319 1.342 0.238 1.00 0.00 O ATOM 1177 CB ARG A 82 6.979 2.560 2.621 1.00 0.00 C ATOM 1178 CG ARG A 82 6.880 3.290 3.962 1.00 0.00 C ATOM 1179 CD ARG A 82 7.845 4.476 4.013 1.00 0.00 C ATOM 1180 NE ARG A 82 9.203 4.008 4.372 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.107 3.572 3.484 1.00 0.00 C ATOM 1182 NH1 ARG A 82 9.803 3.542 2.179 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.314 3.167 3.900 1.00 0.00 N ATOM 0 H ARG A 82 7.495 0.171 1.813 1.00 0.00 H new ATOM 0 HA ARG A 82 5.415 1.369 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.989 2.173 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.796 3.261 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.859 3.640 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.105 2.598 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.868 4.978 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.498 5.207 4.744 1.00 0.00 H new ATOM 0 HE ARG A 82 9.467 4.018 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.884 3.851 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.491 3.210 1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.545 3.190 4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.002 2.835 3.224 1.00 0.00 H new ATOM 1197 N LEU A 83 3.859 2.225 1.723 1.00 0.00 N ATOM 1198 CA LEU A 83 2.848 2.520 0.722 1.00 0.00 C ATOM 1199 C LEU A 83 2.195 3.866 1.044 1.00 0.00 C ATOM 1200 O LEU A 83 1.598 4.031 2.107 1.00 0.00 O ATOM 1201 CB LEU A 83 1.851 1.365 0.609 1.00 0.00 C ATOM 1202 CG LEU A 83 2.391 0.072 -0.006 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.359 -1.054 0.091 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.855 0.301 -1.445 1.00 0.00 C ATOM 0 H LEU A 83 3.606 2.487 2.676 1.00 0.00 H new ATOM 0 HA LEU A 83 3.305 2.614 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.472 1.139 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.002 1.701 0.013 1.00 0.00 H new ATOM 0 HG LEU A 83 3.264 -0.240 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.768 -1.962 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.119 -1.239 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.454 -0.765 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.234 -0.634 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.016 0.650 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.646 1.050 -1.457 1.00 0.00 H new ATOM 1216 N GLN A 84 2.331 4.793 0.107 1.00 0.00 N ATOM 1217 CA GLN A 84 1.762 6.119 0.279 1.00 0.00 C ATOM 1218 C GLN A 84 0.301 6.132 -0.177 1.00 0.00 C ATOM 1219 O GLN A 84 0.019 6.049 -1.371 1.00 0.00 O ATOM 1220 CB GLN A 84 2.581 7.169 -0.475 1.00 0.00 C ATOM 1221 CG GLN A 84 2.243 8.580 0.011 1.00 0.00 C ATOM 1222 CD GLN A 84 2.744 9.634 -0.978 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.132 9.340 -2.096 1.00 0.00 O ATOM 1224 NE2 GLN A 84 2.715 10.877 -0.504 1.00 0.00 N ATOM 0 H GLN A 84 2.827 4.652 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 84 1.794 6.373 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.644 6.977 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.383 7.091 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.165 8.677 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.694 8.750 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.378 11.054 0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.030 11.653 -1.087 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.589 6.239 0.799 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.013 6.264 0.513 1.00 0.00 C ATOM 1235 C LEU A 85 -2.494 7.716 0.466 1.00 0.00 C ATOM 1236 O LEU A 85 -1.961 8.573 1.170 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.777 5.396 1.516 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.087 4.097 1.940 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.852 3.417 3.076 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.890 3.165 0.742 1.00 0.00 C ATOM 0 H LEU A 85 -0.351 6.309 1.788 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.212 5.829 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.969 5.991 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.747 5.146 1.085 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.096 4.344 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.341 2.497 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.897 4.086 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.864 3.183 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.398 2.250 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.860 2.920 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.272 3.661 -0.007 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.495 7.947 -0.370 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.053 9.281 -0.518 1.00 0.00 C ATOM 1254 C ASP A 86 -5.382 9.359 0.237 1.00 0.00 C ATOM 1255 O ASP A 86 -6.407 8.889 -0.253 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.325 9.604 -1.988 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.800 10.961 -2.460 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -3.541 11.807 -1.577 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -3.670 11.122 -3.693 1.00 0.00 O ATOM 0 H ASP A 86 -3.934 7.234 -0.952 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.332 9.995 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.878 8.824 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.401 9.568 -2.159 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.320 9.957 1.418 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.506 10.104 2.245 1.00 0.00 C ATOM 1266 C ARG A 87 -6.894 11.579 2.360 1.00 0.00 C ATOM 1267 O ARG A 87 -6.279 12.330 3.116 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.273 9.534 3.646 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.560 8.929 4.213 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.316 8.317 5.594 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.562 9.329 6.646 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.753 9.036 7.939 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.729 7.760 8.348 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -7.970 10.019 8.824 1.00 0.00 N ATOM 0 H ARG A 87 -4.467 10.345 1.822 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.314 9.549 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.495 8.772 3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.915 10.322 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.328 9.699 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.937 8.164 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.972 7.459 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.292 7.950 5.663 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.588 10.310 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.565 7.012 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.874 7.537 9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.990 10.990 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.115 9.796 9.809 1.00 0.00 H new ATOM 1288 N SER A 88 -7.913 11.951 1.598 1.00 0.00 N ATOM 1289 CA SER A 88 -8.390 13.323 1.605 1.00 0.00 C ATOM 1290 C SER A 88 -9.911 13.347 1.771 1.00 0.00 C ATOM 1291 O SER A 88 -10.645 13.408 0.786 1.00 0.00 O ATOM 1292 CB SER A 88 -7.984 14.054 0.324 1.00 0.00 C ATOM 1293 OG SER A 88 -8.684 15.285 0.167 1.00 0.00 O ATOM 0 H SER A 88 -8.421 11.326 0.972 1.00 0.00 H new ATOM 0 HA SER A 88 -7.931 13.841 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.911 14.247 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.179 13.414 -0.536 1.00 0.00 H new ATOM 0 HG SER A 88 -8.396 15.722 -0.661 1.00 0.00 H new