USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 432 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 36 SER OG : rot -148:sc= 0.78 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.117 K(o=0.66,f=-0.82) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 14 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.1) USER MOD Single : A 18 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 27 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.38) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 165:sc= -0.0876 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 75 N ARG A 5 -6.005 2.586 -2.531 1.00 0.00 N ATOM 76 CA ARG A 5 -7.050 2.635 -1.477 1.00 0.00 C ATOM 77 C ARG A 5 -6.494 3.249 -0.185 1.00 0.00 C ATOM 78 O ARG A 5 -7.097 4.164 0.375 1.00 0.00 O ATOM 79 CB ARG A 5 -7.645 1.222 -1.188 1.00 0.00 C ATOM 80 CG ARG A 5 -8.665 0.743 -2.244 1.00 0.00 C ATOM 81 CD ARG A 5 -9.296 -0.631 -1.909 1.00 0.00 C ATOM 82 NE ARG A 5 -10.584 -0.819 -2.616 1.00 0.00 N ATOM 83 CZ ARG A 5 -10.985 -1.918 -3.268 1.00 0.00 C ATOM 84 NH1 ARG A 5 -10.232 -3.006 -3.320 1.00 0.00 N ATOM 85 NH2 ARG A 5 -12.174 -1.922 -3.842 1.00 0.00 N ATOM 0 HA ARG A 5 -7.855 3.268 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.830 0.500 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.128 1.235 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.457 1.486 -2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.171 0.681 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.606 -1.428 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.455 -0.708 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.232 -0.031 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.323 -3.020 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.561 -3.830 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.771 -1.097 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.496 -2.750 -4.343 1.00 0.00 H new ATOM 99 N LEU A 6 -5.313 2.760 0.238 1.00 0.00 N ATOM 100 CA LEU A 6 -4.620 3.254 1.445 1.00 0.00 C ATOM 101 C LEU A 6 -4.301 4.763 1.302 1.00 0.00 C ATOM 102 O LEU A 6 -4.406 5.504 2.278 1.00 0.00 O ATOM 103 CB LEU A 6 -3.335 2.399 1.714 1.00 0.00 C ATOM 104 CG LEU A 6 -2.625 2.520 3.119 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.736 3.778 3.246 1.00 0.00 C ATOM 106 CD2 LEU A 6 -3.649 2.437 4.275 1.00 0.00 C ATOM 0 H LEU A 6 -4.813 2.014 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.273 3.144 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.598 1.352 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.601 2.655 0.950 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.954 1.665 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.277 3.801 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.956 3.751 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.347 4.670 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.129 2.523 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.371 3.248 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.170 1.481 4.231 1.00 0.00 H new ATOM 118 N ASN A 7 -3.953 5.207 0.078 1.00 0.00 N ATOM 119 CA ASN A 7 -3.668 6.633 -0.200 1.00 0.00 C ATOM 120 C ASN A 7 -4.911 7.501 0.048 1.00 0.00 C ATOM 121 O ASN A 7 -4.900 8.359 0.936 1.00 0.00 O ATOM 122 CB ASN A 7 -3.146 6.849 -1.649 1.00 0.00 C ATOM 123 CG ASN A 7 -1.768 6.237 -1.897 1.00 0.00 C ATOM 124 OD1 ASN A 7 -0.949 6.124 -0.982 1.00 0.00 O ATOM 125 ND2 ASN A 7 -1.494 5.863 -3.136 1.00 0.00 N ATOM 0 H ASN A 7 -3.862 4.599 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.881 6.940 0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.859 6.417 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.103 7.918 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.581 5.467 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.196 5.971 -3.868 1.00 0.00 H new ATOM 132 N GLU A 8 -5.998 7.214 -0.702 1.00 0.00 N ATOM 133 CA GLU A 8 -7.208 8.062 -0.733 1.00 0.00 C ATOM 134 C GLU A 8 -7.943 8.080 0.620 1.00 0.00 C ATOM 135 O GLU A 8 -8.461 9.125 1.028 1.00 0.00 O ATOM 136 CB GLU A 8 -8.146 7.647 -1.896 1.00 0.00 C ATOM 137 CG GLU A 8 -8.585 6.168 -1.906 1.00 0.00 C ATOM 138 CD GLU A 8 -9.455 5.799 -3.120 1.00 0.00 C ATOM 139 OE1 GLU A 8 -9.044 6.088 -4.269 1.00 0.00 O ATOM 140 OE2 GLU A 8 -10.564 5.249 -2.942 1.00 0.00 O ATOM 0 H GLU A 8 -6.060 6.391 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.883 9.086 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.039 8.272 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.644 7.864 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.699 5.533 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.140 5.955 -0.992 1.00 0.00 H new ATOM 147 N VAL A 9 -7.953 6.943 1.342 1.00 0.00 N ATOM 148 CA VAL A 9 -8.545 6.903 2.693 1.00 0.00 C ATOM 149 C VAL A 9 -7.707 7.785 3.656 1.00 0.00 C ATOM 150 O VAL A 9 -8.257 8.582 4.398 1.00 0.00 O ATOM 151 CB VAL A 9 -8.745 5.437 3.259 1.00 0.00 C ATOM 152 CG1 VAL A 9 -9.654 4.600 2.326 1.00 0.00 C ATOM 153 CG2 VAL A 9 -7.405 4.714 3.534 1.00 0.00 C ATOM 0 H VAL A 9 -7.566 6.056 1.020 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.553 7.311 2.616 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.244 5.539 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.774 3.598 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.630 5.078 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.198 4.533 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.604 3.714 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.835 4.639 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.831 5.279 4.268 1.00 0.00 H new ATOM 163 N ILE A 10 -6.372 7.703 3.583 1.00 0.00 N ATOM 164 CA ILE A 10 -5.470 8.565 4.392 1.00 0.00 C ATOM 165 C ILE A 10 -5.427 10.038 3.860 1.00 0.00 C ATOM 166 O ILE A 10 -4.893 10.928 4.523 1.00 0.00 O ATOM 167 CB ILE A 10 -4.041 7.889 4.500 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.164 6.514 5.239 1.00 0.00 C ATOM 169 CG2 ILE A 10 -2.973 8.777 5.186 1.00 0.00 C ATOM 170 CD1 ILE A 10 -4.780 6.597 6.632 1.00 0.00 C ATOM 0 H ILE A 10 -5.882 7.049 2.973 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.870 8.647 5.403 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.690 7.742 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.766 5.841 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.172 6.070 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.024 8.243 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.849 9.700 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.294 9.014 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.826 5.600 7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.168 7.242 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.787 7.009 6.561 1.00 0.00 H new ATOM 182 N GLU A 11 -6.053 10.300 2.700 1.00 0.00 N ATOM 183 CA GLU A 11 -6.211 11.673 2.175 1.00 0.00 C ATOM 184 C GLU A 11 -7.323 12.443 2.936 1.00 0.00 C ATOM 185 O GLU A 11 -7.063 13.521 3.484 1.00 0.00 O ATOM 186 CB GLU A 11 -6.498 11.643 0.645 1.00 0.00 C ATOM 187 CG GLU A 11 -5.278 11.294 -0.239 1.00 0.00 C ATOM 188 CD GLU A 11 -4.284 12.457 -0.386 1.00 0.00 C ATOM 189 OE1 GLU A 11 -4.513 13.308 -1.264 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.284 12.521 0.369 1.00 0.00 O ATOM 0 H GLU A 11 -6.460 9.579 2.104 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.274 12.206 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.288 10.917 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.881 12.618 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.761 10.435 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.627 10.996 -1.228 1.00 0.00 H new ATOM 197 N LEU A 12 -8.561 11.902 2.962 1.00 0.00 N ATOM 198 CA LEU A 12 -9.738 12.607 3.579 1.00 0.00 C ATOM 199 C LEU A 12 -10.172 12.005 4.944 1.00 0.00 C ATOM 200 O LEU A 12 -10.658 12.725 5.826 1.00 0.00 O ATOM 201 CB LEU A 12 -10.965 12.708 2.583 1.00 0.00 C ATOM 202 CG LEU A 12 -11.252 11.542 1.562 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.302 11.595 0.351 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.238 10.153 2.228 1.00 0.00 C ATOM 0 H LEU A 12 -8.784 10.987 2.570 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.391 13.620 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.863 12.837 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.837 13.622 2.003 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.265 11.702 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.533 10.775 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.429 12.544 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.271 11.504 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.441 9.388 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.260 9.973 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.003 10.114 3.003 1.00 0.00 H new ATOM 216 N LEU A 13 -10.002 10.690 5.102 1.00 0.00 N ATOM 217 CA LEU A 13 -10.411 9.941 6.319 1.00 0.00 C ATOM 218 C LEU A 13 -9.305 9.962 7.390 1.00 0.00 C ATOM 219 O LEU A 13 -9.528 9.472 8.498 1.00 0.00 O ATOM 220 CB LEU A 13 -10.867 8.492 5.888 1.00 0.00 C ATOM 221 CG LEU A 13 -10.779 7.295 6.913 1.00 0.00 C ATOM 222 CD1 LEU A 13 -11.928 6.275 6.709 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.408 6.584 6.806 1.00 0.00 C ATOM 0 H LEU A 13 -9.574 10.099 4.389 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.263 10.425 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.905 8.563 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.277 8.214 5.015 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.883 7.717 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.830 5.467 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.887 6.774 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.876 5.865 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.368 5.762 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.278 6.194 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.611 7.295 7.025 1.00 0.00 H new ATOM 235 N GLN A 14 -8.163 10.635 7.079 1.00 0.00 N ATOM 236 CA GLN A 14 -6.966 10.696 7.959 1.00 0.00 C ATOM 237 C GLN A 14 -7.359 10.961 9.453 1.00 0.00 C ATOM 238 O GLN A 14 -7.132 10.079 10.273 1.00 0.00 O ATOM 239 CB GLN A 14 -5.934 11.766 7.447 1.00 0.00 C ATOM 240 CG GLN A 14 -4.430 11.442 7.677 1.00 0.00 C ATOM 241 CD GLN A 14 -4.076 10.929 9.079 1.00 0.00 C ATOM 242 OE1 GLN A 14 -3.812 11.711 9.995 1.00 0.00 O ATOM 243 NE2 GLN A 14 -4.059 9.609 9.252 1.00 0.00 N ATOM 0 H GLN A 14 -8.048 11.152 6.207 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.484 9.719 7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.093 11.910 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.157 12.716 7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.120 10.695 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.847 12.342 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.283 8.990 8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.823 9.217 10.164 1.00 0.00 H new ATOM 252 N PRO A 15 -8.045 12.119 9.822 1.00 0.00 N ATOM 253 CA PRO A 15 -8.351 12.423 11.244 1.00 0.00 C ATOM 254 C PRO A 15 -9.433 11.489 11.825 1.00 0.00 C ATOM 255 O PRO A 15 -9.407 11.181 13.022 1.00 0.00 O ATOM 256 CB PRO A 15 -8.833 13.892 11.197 1.00 0.00 C ATOM 257 CG PRO A 15 -9.466 14.012 9.846 1.00 0.00 C ATOM 258 CD PRO A 15 -8.603 13.186 8.920 1.00 0.00 C ATOM 0 HA PRO A 15 -7.490 12.274 11.896 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.545 14.106 11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.004 14.590 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.492 13.643 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.505 15.052 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.185 12.758 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.812 13.784 8.468 1.00 0.00 H new ATOM 266 N ALA A 16 -10.352 11.024 10.953 1.00 0.00 N ATOM 267 CA ALA A 16 -11.471 10.156 11.346 1.00 0.00 C ATOM 268 C ALA A 16 -10.953 8.809 11.868 1.00 0.00 C ATOM 269 O ALA A 16 -11.311 8.390 12.971 1.00 0.00 O ATOM 270 CB ALA A 16 -12.425 9.949 10.162 1.00 0.00 C ATOM 0 H ALA A 16 -10.335 11.243 9.957 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.021 10.642 12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.249 9.304 10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.819 10.913 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.886 9.483 9.337 1.00 0.00 H new ATOM 276 N TRP A 17 -10.092 8.139 11.074 1.00 0.00 N ATOM 277 CA TRP A 17 -9.487 6.842 11.468 1.00 0.00 C ATOM 278 C TRP A 17 -8.523 7.022 12.660 1.00 0.00 C ATOM 279 O TRP A 17 -8.210 6.065 13.354 1.00 0.00 O ATOM 280 CB TRP A 17 -8.759 6.191 10.261 1.00 0.00 C ATOM 281 CG TRP A 17 -8.623 4.677 10.301 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.133 3.805 11.232 1.00 0.00 C ATOM 283 CD2 TRP A 17 -7.950 3.862 9.330 1.00 0.00 C ATOM 284 NE1 TRP A 17 -8.803 2.517 10.903 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.082 2.524 9.742 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.247 4.139 8.155 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -7.540 1.468 9.017 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -6.709 3.095 7.431 1.00 0.00 C ATOM 289 CH2 TRP A 17 -6.859 1.770 7.863 1.00 0.00 C ATOM 0 H TRP A 17 -9.798 8.472 10.156 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.289 6.175 11.784 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.292 6.464 9.350 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.761 6.624 10.188 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.710 4.093 12.098 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.055 1.686 11.438 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.126 5.158 7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.651 0.447 9.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.166 3.301 6.521 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.431 0.971 7.277 1.00 0.00 H new ATOM 300 N GLN A 18 -8.052 8.257 12.881 1.00 0.00 N ATOM 301 CA GLN A 18 -7.235 8.589 14.072 1.00 0.00 C ATOM 302 C GLN A 18 -8.108 8.775 15.330 1.00 0.00 C ATOM 303 O GLN A 18 -7.592 8.721 16.454 1.00 0.00 O ATOM 304 CB GLN A 18 -6.343 9.831 13.814 1.00 0.00 C ATOM 305 CG GLN A 18 -5.295 9.656 12.696 1.00 0.00 C ATOM 306 CD GLN A 18 -4.388 8.436 12.872 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.336 8.508 13.505 1.00 0.00 O ATOM 308 NE2 GLN A 18 -4.774 7.312 12.286 1.00 0.00 N ATOM 0 H GLN A 18 -8.219 9.046 12.256 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.576 7.741 14.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.985 10.675 13.562 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.827 10.088 14.739 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.811 9.576 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.676 10.552 12.651 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.652 7.283 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.193 6.476 12.353 1.00 0.00 H new ATOM 317 N LYS A 19 -9.429 8.993 15.145 1.00 0.00 N ATOM 318 CA LYS A 19 -10.391 9.031 16.271 1.00 0.00 C ATOM 319 C LYS A 19 -10.579 7.632 16.881 1.00 0.00 C ATOM 320 O LYS A 19 -10.774 7.512 18.099 1.00 0.00 O ATOM 321 CB LYS A 19 -11.761 9.634 15.857 1.00 0.00 C ATOM 322 CG LYS A 19 -11.690 11.069 15.290 1.00 0.00 C ATOM 323 CD LYS A 19 -10.805 11.999 16.149 1.00 0.00 C ATOM 324 CE LYS A 19 -10.790 13.451 15.646 1.00 0.00 C ATOM 325 NZ LYS A 19 -9.912 14.314 16.482 1.00 0.00 N ATOM 0 H LYS A 19 -9.853 9.145 14.230 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.964 9.689 17.028 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.217 8.985 15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.420 9.633 16.725 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.298 11.036 14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.696 11.483 15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.162 11.981 17.179 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.785 11.614 16.158 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.445 13.474 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.805 13.849 15.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.927 15.286 16.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.256 14.311 17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.939 13.949 16.455 1.00 0.00 H new ATOM 339 N GLU A 20 -10.518 6.579 16.033 1.00 0.00 N ATOM 340 CA GLU A 20 -10.445 5.192 16.511 1.00 0.00 C ATOM 341 C GLU A 20 -9.803 4.268 15.448 1.00 0.00 C ATOM 342 O GLU A 20 -10.497 3.757 14.559 1.00 0.00 O ATOM 343 CB GLU A 20 -11.831 4.649 16.968 1.00 0.00 C ATOM 344 CG GLU A 20 -11.743 3.333 17.775 1.00 0.00 C ATOM 345 CD GLU A 20 -10.912 3.466 19.066 1.00 0.00 C ATOM 346 OE1 GLU A 20 -9.678 3.282 19.019 1.00 0.00 O ATOM 347 OE2 GLU A 20 -11.487 3.780 20.125 1.00 0.00 O ATOM 0 H GLU A 20 -10.518 6.671 15.017 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.802 5.194 17.391 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.326 5.406 17.576 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.456 4.486 16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.750 3.004 18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.304 2.558 17.147 1.00 0.00 H new ATOM 354 N PRO A 21 -8.441 4.065 15.511 1.00 0.00 N ATOM 355 CA PRO A 21 -7.717 3.116 14.625 1.00 0.00 C ATOM 356 C PRO A 21 -7.769 1.655 15.121 1.00 0.00 C ATOM 357 O PRO A 21 -7.186 0.762 14.491 1.00 0.00 O ATOM 358 CB PRO A 21 -6.278 3.681 14.647 1.00 0.00 C ATOM 359 CG PRO A 21 -6.124 4.283 16.010 1.00 0.00 C ATOM 360 CD PRO A 21 -7.498 4.787 16.418 1.00 0.00 C ATOM 0 HA PRO A 21 -8.155 3.055 13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.542 2.895 14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.134 4.428 13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.755 3.544 16.721 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.401 5.098 15.994 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.707 4.568 17.465 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.578 5.867 16.296 1.00 0.00 H new ATOM 368 N ASP A 22 -8.465 1.423 16.255 1.00 0.00 N ATOM 369 CA ASP A 22 -8.665 0.068 16.816 1.00 0.00 C ATOM 370 C ASP A 22 -9.585 -0.770 15.898 1.00 0.00 C ATOM 371 O ASP A 22 -9.546 -2.002 15.924 1.00 0.00 O ATOM 372 CB ASP A 22 -9.248 0.165 18.251 1.00 0.00 C ATOM 373 CG ASP A 22 -9.340 -1.191 18.984 1.00 0.00 C ATOM 374 OD1 ASP A 22 -8.303 -1.676 19.484 1.00 0.00 O ATOM 375 OD2 ASP A 22 -10.443 -1.773 19.066 1.00 0.00 O ATOM 0 H ASP A 22 -8.901 2.163 16.804 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.700 -0.436 16.871 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.629 0.843 18.839 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.243 0.607 18.199 1.00 0.00 H new ATOM 380 N PHE A 23 -10.422 -0.082 15.097 1.00 0.00 N ATOM 381 CA PHE A 23 -11.236 -0.722 14.048 1.00 0.00 C ATOM 382 C PHE A 23 -10.394 -0.986 12.790 1.00 0.00 C ATOM 383 O PHE A 23 -9.500 -0.200 12.456 1.00 0.00 O ATOM 384 CB PHE A 23 -12.455 0.154 13.676 1.00 0.00 C ATOM 385 CG PHE A 23 -13.503 0.282 14.776 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.291 -0.812 15.134 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.696 1.483 15.454 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.237 -0.705 16.136 1.00 0.00 C ATOM 389 CE2 PHE A 23 -14.642 1.587 16.453 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.410 0.493 16.795 1.00 0.00 C ATOM 0 H PHE A 23 -10.552 0.928 15.159 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.593 -1.672 14.446 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.102 1.151 13.410 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.929 -0.264 12.788 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.160 -1.754 14.622 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -13.098 2.344 15.195 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -15.841 -1.560 16.402 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -14.782 2.526 16.968 1.00 0.00 H new ATOM 0 HZ PHE A 23 -16.147 0.576 17.580 1.00 0.00 H new ATOM 400 N ASN A 24 -10.712 -2.094 12.096 1.00 0.00 N ATOM 401 CA ASN A 24 -10.060 -2.491 10.827 1.00 0.00 C ATOM 402 C ASN A 24 -10.531 -1.588 9.654 1.00 0.00 C ATOM 403 O ASN A 24 -11.183 -0.558 9.879 1.00 0.00 O ATOM 404 CB ASN A 24 -10.372 -3.982 10.515 1.00 0.00 C ATOM 405 CG ASN A 24 -9.956 -4.961 11.613 1.00 0.00 C ATOM 406 OD1 ASN A 24 -9.022 -4.717 12.380 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.648 -6.089 11.692 1.00 0.00 N ATOM 0 H ASN A 24 -11.434 -2.747 12.400 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.983 -2.366 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.443 -4.087 10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.868 -4.259 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.413 -6.783 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.416 -6.263 11.043 1.00 0.00 H new ATOM 414 N LEU A 25 -10.206 -1.990 8.401 1.00 0.00 N ATOM 415 CA LEU A 25 -10.559 -1.212 7.193 1.00 0.00 C ATOM 416 C LEU A 25 -12.104 -1.152 7.056 1.00 0.00 C ATOM 417 O LEU A 25 -12.694 -0.091 7.222 1.00 0.00 O ATOM 418 CB LEU A 25 -9.875 -1.863 5.934 1.00 0.00 C ATOM 419 CG LEU A 25 -9.562 -0.948 4.693 1.00 0.00 C ATOM 420 CD1 LEU A 25 -10.825 -0.457 3.975 1.00 0.00 C ATOM 421 CD2 LEU A 25 -8.646 0.235 5.082 1.00 0.00 C ATOM 0 H LEU A 25 -9.698 -2.852 8.203 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.193 -0.189 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.937 -2.311 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.515 -2.677 5.593 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.027 -1.575 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.542 0.169 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.397 -1.314 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.435 0.123 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.449 0.847 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.138 0.841 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.704 -0.148 5.475 1.00 0.00 H new ATOM 433 N LEU A 26 -12.748 -2.322 6.896 1.00 0.00 N ATOM 434 CA LEU A 26 -14.224 -2.413 6.734 1.00 0.00 C ATOM 435 C LEU A 26 -14.971 -2.142 8.058 1.00 0.00 C ATOM 436 O LEU A 26 -16.133 -1.726 8.035 1.00 0.00 O ATOM 437 CB LEU A 26 -14.646 -3.797 6.123 1.00 0.00 C ATOM 438 CG LEU A 26 -14.859 -3.840 4.572 1.00 0.00 C ATOM 439 CD1 LEU A 26 -16.024 -2.923 4.141 1.00 0.00 C ATOM 440 CD2 LEU A 26 -13.567 -3.501 3.806 1.00 0.00 C ATOM 0 H LEU A 26 -12.274 -3.225 6.874 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.515 -1.631 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.884 -4.531 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.572 -4.114 6.603 1.00 0.00 H new ATOM 0 HG LEU A 26 -15.127 -4.864 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.147 -2.975 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.943 -3.250 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.806 -1.896 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.758 -3.542 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.236 -2.499 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.791 -4.222 4.064 1.00 0.00 H new ATOM 452 N GLN A 27 -14.296 -2.373 9.198 1.00 0.00 N ATOM 453 CA GLN A 27 -14.899 -2.178 10.533 1.00 0.00 C ATOM 454 C GLN A 27 -15.063 -0.691 10.865 1.00 0.00 C ATOM 455 O GLN A 27 -16.096 -0.283 11.402 1.00 0.00 O ATOM 456 CB GLN A 27 -14.072 -2.901 11.623 1.00 0.00 C ATOM 457 CG GLN A 27 -14.092 -4.436 11.501 1.00 0.00 C ATOM 458 CD GLN A 27 -15.498 -5.041 11.611 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.374 -4.516 12.300 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.723 -6.150 10.932 1.00 0.00 N ATOM 0 H GLN A 27 -13.329 -2.696 9.223 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.895 -2.621 10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.040 -2.555 11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.455 -2.619 12.604 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.656 -4.722 10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.460 -4.863 12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.979 -6.563 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.641 -6.594 10.970 1.00 0.00 H new ATOM 469 N PHE A 28 -14.052 0.129 10.537 1.00 0.00 N ATOM 470 CA PHE A 28 -14.153 1.584 10.744 1.00 0.00 C ATOM 471 C PHE A 28 -15.114 2.190 9.710 1.00 0.00 C ATOM 472 O PHE A 28 -15.862 3.137 10.000 1.00 0.00 O ATOM 473 CB PHE A 28 -12.771 2.280 10.673 1.00 0.00 C ATOM 474 CG PHE A 28 -12.878 3.747 11.071 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.081 4.089 12.407 1.00 0.00 C ATOM 476 CD2 PHE A 28 -12.882 4.763 10.117 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.268 5.400 12.778 1.00 0.00 C ATOM 478 CE2 PHE A 28 -13.086 6.072 10.489 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.280 6.388 11.819 1.00 0.00 C ATOM 0 H PHE A 28 -13.169 -0.183 10.134 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.544 1.752 11.747 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.069 1.771 11.333 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.372 2.202 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.092 3.315 13.160 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.724 4.521 9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.405 5.654 13.819 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -13.094 6.851 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.442 7.416 12.109 1.00 0.00 H new ATOM 489 N LEU A 29 -15.073 1.621 8.504 1.00 0.00 N ATOM 490 CA LEU A 29 -15.927 2.031 7.380 1.00 0.00 C ATOM 491 C LEU A 29 -17.419 1.832 7.708 1.00 0.00 C ATOM 492 O LEU A 29 -18.237 2.698 7.391 1.00 0.00 O ATOM 493 CB LEU A 29 -15.501 1.273 6.086 1.00 0.00 C ATOM 494 CG LEU A 29 -14.496 2.021 5.152 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.285 2.622 5.904 1.00 0.00 C ATOM 496 CD2 LEU A 29 -14.057 1.107 3.988 1.00 0.00 C ATOM 0 H LEU A 29 -14.441 0.854 8.274 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.791 3.098 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.056 0.321 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.398 1.044 5.511 1.00 0.00 H new ATOM 0 HG LEU A 29 -15.028 2.877 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.629 3.126 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.637 3.339 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.734 1.825 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.357 1.644 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.573 0.216 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.931 0.815 3.406 1.00 0.00 H new ATOM 508 N GLN A 30 -17.756 0.705 8.378 1.00 0.00 N ATOM 509 CA GLN A 30 -19.141 0.409 8.782 1.00 0.00 C ATOM 510 C GLN A 30 -19.575 1.343 9.909 1.00 0.00 C ATOM 511 O GLN A 30 -20.735 1.716 9.969 1.00 0.00 O ATOM 512 CB GLN A 30 -19.318 -1.093 9.175 1.00 0.00 C ATOM 513 CG GLN A 30 -18.844 -1.542 10.589 1.00 0.00 C ATOM 514 CD GLN A 30 -19.979 -1.700 11.622 1.00 0.00 C ATOM 515 OE1 GLN A 30 -20.280 -0.644 12.368 1.00 0.00 O flip ATOM 516 NE2 GLN A 30 -20.583 -2.765 11.741 1.00 0.00 N flip ATOM 0 H GLN A 30 -17.083 -0.012 8.648 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.791 0.587 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.376 -1.339 9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.786 -1.695 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.318 -2.492 10.498 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.125 -0.814 10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.332 -3.562 11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.335 -2.851 12.425 1.00 0.00 H new ATOM 525 N LYS A 31 -18.634 1.726 10.801 1.00 0.00 N ATOM 526 CA LYS A 31 -18.924 2.686 11.889 1.00 0.00 C ATOM 527 C LYS A 31 -19.430 4.015 11.314 1.00 0.00 C ATOM 528 O LYS A 31 -20.565 4.419 11.594 1.00 0.00 O ATOM 529 CB LYS A 31 -17.677 2.909 12.786 1.00 0.00 C ATOM 530 CG LYS A 31 -17.270 1.671 13.616 1.00 0.00 C ATOM 531 CD LYS A 31 -18.326 1.259 14.674 1.00 0.00 C ATOM 532 CE LYS A 31 -18.545 2.346 15.740 1.00 0.00 C ATOM 533 NZ LYS A 31 -19.466 1.908 16.811 1.00 0.00 N ATOM 0 H LYS A 31 -17.672 1.387 10.789 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.710 2.262 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.837 3.204 12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.874 3.739 13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.097 0.832 12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.325 1.876 14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.272 1.047 14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.008 0.336 15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.585 2.619 16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.945 3.242 15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.581 2.674 17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.391 1.672 16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.074 1.069 17.284 1.00 0.00 H new ATOM 547 N LEU A 32 -18.619 4.635 10.443 1.00 0.00 N ATOM 548 CA LEU A 32 -18.930 5.956 9.866 1.00 0.00 C ATOM 549 C LEU A 32 -20.131 5.870 8.893 1.00 0.00 C ATOM 550 O LEU A 32 -20.879 6.842 8.740 1.00 0.00 O ATOM 551 CB LEU A 32 -17.653 6.560 9.193 1.00 0.00 C ATOM 552 CG LEU A 32 -17.202 5.972 7.800 1.00 0.00 C ATOM 553 CD1 LEU A 32 -17.892 6.697 6.611 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.658 5.988 7.642 1.00 0.00 C ATOM 0 H LEU A 32 -17.736 4.240 10.120 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.231 6.633 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.817 7.630 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.822 6.444 9.889 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.527 4.932 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.552 6.260 5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.973 6.584 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.635 7.756 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.387 5.575 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.295 7.013 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.205 5.387 8.430 1.00 0.00 H new ATOM 566 N ALA A 33 -20.294 4.694 8.242 1.00 0.00 N ATOM 567 CA ALA A 33 -21.396 4.443 7.286 1.00 0.00 C ATOM 568 C ALA A 33 -22.742 4.417 8.016 1.00 0.00 C ATOM 569 O ALA A 33 -23.695 5.081 7.607 1.00 0.00 O ATOM 570 CB ALA A 33 -21.172 3.122 6.533 1.00 0.00 C ATOM 0 H ALA A 33 -19.669 3.898 8.364 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.409 5.255 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.993 2.957 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.233 3.172 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.131 2.299 7.246 1.00 0.00 H new ATOM 576 N LYS A 34 -22.805 3.636 9.103 1.00 0.00 N ATOM 577 CA LYS A 34 -24.005 3.542 9.959 1.00 0.00 C ATOM 578 C LYS A 34 -24.276 4.872 10.705 1.00 0.00 C ATOM 579 O LYS A 34 -25.422 5.155 11.070 1.00 0.00 O ATOM 580 CB LYS A 34 -23.882 2.350 10.942 1.00 0.00 C ATOM 581 CG LYS A 34 -23.678 0.985 10.239 1.00 0.00 C ATOM 582 CD LYS A 34 -23.592 -0.212 11.208 1.00 0.00 C ATOM 583 CE LYS A 34 -24.924 -0.495 11.916 1.00 0.00 C ATOM 584 NZ LYS A 34 -24.857 -1.695 12.781 1.00 0.00 N ATOM 0 H LYS A 34 -22.030 3.051 9.417 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.865 3.358 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.045 2.531 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -24.781 2.302 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.501 0.819 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.764 1.026 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.282 -1.100 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -22.822 -0.016 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -25.203 0.369 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -25.708 -0.631 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -25.779 -1.846 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -24.617 -2.526 12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -24.128 -1.557 13.510 1.00 0.00 H new ATOM 598 N GLU A 35 -23.217 5.679 10.939 1.00 0.00 N ATOM 599 CA GLU A 35 -23.363 7.067 11.451 1.00 0.00 C ATOM 600 C GLU A 35 -24.010 7.971 10.382 1.00 0.00 C ATOM 601 O GLU A 35 -24.793 8.861 10.711 1.00 0.00 O ATOM 602 CB GLU A 35 -21.993 7.664 11.889 1.00 0.00 C ATOM 603 CG GLU A 35 -21.362 7.016 13.141 1.00 0.00 C ATOM 604 CD GLU A 35 -22.195 7.200 14.424 1.00 0.00 C ATOM 605 OE1 GLU A 35 -22.037 8.238 15.106 1.00 0.00 O ATOM 606 OE2 GLU A 35 -23.013 6.311 14.757 1.00 0.00 O ATOM 0 H GLU A 35 -22.250 5.396 10.782 1.00 0.00 H new ATOM 0 HA GLU A 35 -24.010 7.025 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.292 7.571 11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.123 8.730 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.226 5.950 12.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.371 7.442 13.298 1.00 0.00 H new ATOM 613 N SER A 36 -23.671 7.726 9.107 1.00 0.00 N ATOM 614 CA SER A 36 -24.252 8.457 7.960 1.00 0.00 C ATOM 615 C SER A 36 -25.694 7.990 7.661 1.00 0.00 C ATOM 616 O SER A 36 -26.487 8.734 7.069 1.00 0.00 O ATOM 617 CB SER A 36 -23.366 8.253 6.713 1.00 0.00 C ATOM 618 OG SER A 36 -22.047 8.745 6.918 1.00 0.00 O ATOM 0 H SER A 36 -22.988 7.018 8.838 1.00 0.00 H new ATOM 0 HA SER A 36 -24.290 9.515 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.324 7.192 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.816 8.762 5.860 1.00 0.00 H new ATOM 0 HG SER A 36 -21.683 9.070 6.068 1.00 0.00 H new ATOM 624 N GLY A 37 -26.016 6.758 8.087 1.00 0.00 N ATOM 625 CA GLY A 37 -27.309 6.137 7.806 1.00 0.00 C ATOM 626 C GLY A 37 -27.322 5.438 6.449 1.00 0.00 C ATOM 627 O GLY A 37 -28.262 5.592 5.664 1.00 0.00 O ATOM 0 H GLY A 37 -25.386 6.171 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.543 5.415 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.090 6.897 7.830 1.00 0.00 H new ATOM 631 N PHE A 38 -26.255 4.671 6.192 1.00 0.00 N ATOM 632 CA PHE A 38 -26.080 3.894 4.953 1.00 0.00 C ATOM 633 C PHE A 38 -27.120 2.758 4.886 1.00 0.00 C ATOM 634 O PHE A 38 -27.084 1.829 5.695 1.00 0.00 O ATOM 635 CB PHE A 38 -24.624 3.341 4.902 1.00 0.00 C ATOM 636 CG PHE A 38 -24.314 2.360 3.763 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.510 2.716 2.429 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.820 1.081 4.032 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.214 1.832 1.403 1.00 0.00 C ATOM 640 CE2 PHE A 38 -23.525 0.202 3.006 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.728 0.573 1.693 1.00 0.00 C ATOM 0 H PHE A 38 -25.478 4.570 6.845 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.240 4.534 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -23.939 4.185 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.412 2.845 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -24.898 3.695 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.666 0.774 5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.364 2.129 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -23.134 -0.779 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.507 -0.120 0.894 1.00 0.00 H new ATOM 651 N ASP A 39 -28.061 2.860 3.935 1.00 0.00 N ATOM 652 CA ASP A 39 -29.083 1.827 3.706 1.00 0.00 C ATOM 653 C ASP A 39 -28.471 0.680 2.891 1.00 0.00 C ATOM 654 O ASP A 39 -28.446 0.710 1.652 1.00 0.00 O ATOM 655 CB ASP A 39 -30.326 2.428 2.999 1.00 0.00 C ATOM 656 CG ASP A 39 -31.025 3.490 3.859 1.00 0.00 C ATOM 657 OD1 ASP A 39 -31.841 3.124 4.733 1.00 0.00 O ATOM 658 OD2 ASP A 39 -30.750 4.702 3.684 1.00 0.00 O ATOM 0 H ASP A 39 -28.135 3.658 3.305 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.420 1.432 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -30.023 2.872 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -31.031 1.630 2.766 1.00 0.00 H new ATOM 663 N GLY A 40 -27.896 -0.283 3.623 1.00 0.00 N ATOM 664 CA GLY A 40 -27.263 -1.468 3.052 1.00 0.00 C ATOM 665 C GLY A 40 -26.210 -2.030 4.000 1.00 0.00 C ATOM 666 O GLY A 40 -25.851 -1.377 4.994 1.00 0.00 O ATOM 0 H GLY A 40 -27.860 -0.256 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -28.018 -2.227 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.801 -1.215 2.098 1.00 0.00 H new ATOM 670 N GLU A 41 -25.719 -3.247 3.707 1.00 0.00 N ATOM 671 CA GLU A 41 -24.638 -3.883 4.482 1.00 0.00 C ATOM 672 C GLU A 41 -23.277 -3.326 4.020 1.00 0.00 C ATOM 673 O GLU A 41 -23.112 -2.967 2.843 1.00 0.00 O ATOM 674 CB GLU A 41 -24.688 -5.433 4.335 1.00 0.00 C ATOM 675 CG GLU A 41 -24.350 -5.973 2.927 1.00 0.00 C ATOM 676 CD GLU A 41 -24.439 -7.504 2.843 1.00 0.00 C ATOM 677 OE1 GLU A 41 -23.624 -8.188 3.501 1.00 0.00 O ATOM 678 OE2 GLU A 41 -25.318 -8.033 2.130 1.00 0.00 O ATOM 0 H GLU A 41 -26.058 -3.815 2.931 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.773 -3.651 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -23.993 -5.872 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.686 -5.776 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.033 -5.533 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.344 -5.656 2.652 1.00 0.00 H new ATOM 685 N LEU A 42 -22.322 -3.256 4.956 1.00 0.00 N ATOM 686 CA LEU A 42 -20.962 -2.723 4.715 1.00 0.00 C ATOM 687 C LEU A 42 -20.171 -3.531 3.661 1.00 0.00 C ATOM 688 O LEU A 42 -19.182 -3.030 3.117 1.00 0.00 O ATOM 689 CB LEU A 42 -20.148 -2.675 6.025 1.00 0.00 C ATOM 690 CG LEU A 42 -19.951 -4.055 6.768 1.00 0.00 C ATOM 691 CD1 LEU A 42 -18.514 -4.195 7.319 1.00 0.00 C ATOM 692 CD2 LEU A 42 -21.000 -4.245 7.895 1.00 0.00 C ATOM 0 H LEU A 42 -22.467 -3.570 5.916 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.105 -1.715 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -19.165 -2.260 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.639 -1.983 6.709 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.105 -4.846 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -18.410 -5.155 7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -17.802 -4.140 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -18.315 -3.389 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.837 -5.204 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.899 -3.442 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.002 -4.223 7.467 1.00 0.00 H new ATOM 704 N ALA A 43 -20.596 -4.778 3.397 1.00 0.00 N ATOM 705 CA ALA A 43 -20.001 -5.620 2.337 1.00 0.00 C ATOM 706 C ALA A 43 -20.218 -4.995 0.942 1.00 0.00 C ATOM 707 O ALA A 43 -19.412 -5.194 0.033 1.00 0.00 O ATOM 708 CB ALA A 43 -20.593 -7.036 2.389 1.00 0.00 C ATOM 0 H ALA A 43 -21.355 -5.231 3.906 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.927 -5.680 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.147 -7.646 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -20.381 -7.483 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -21.672 -6.985 2.240 1.00 0.00 H new ATOM 714 N ASP A 44 -21.315 -4.229 0.806 1.00 0.00 N ATOM 715 CA ASP A 44 -21.697 -3.549 -0.449 1.00 0.00 C ATOM 716 C ASP A 44 -21.146 -2.102 -0.495 1.00 0.00 C ATOM 717 O ASP A 44 -21.166 -1.454 -1.555 1.00 0.00 O ATOM 718 CB ASP A 44 -23.247 -3.563 -0.584 1.00 0.00 C ATOM 719 CG ASP A 44 -23.759 -2.925 -1.891 1.00 0.00 C ATOM 720 OD1 ASP A 44 -23.520 -3.509 -2.973 1.00 0.00 O ATOM 721 OD2 ASP A 44 -24.386 -1.842 -1.848 1.00 0.00 O ATOM 0 H ASP A 44 -21.969 -4.062 1.571 1.00 0.00 H new ATOM 0 HA ASP A 44 -21.258 -4.083 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -23.599 -4.593 -0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -23.682 -3.033 0.264 1.00 0.00 H new ATOM 726 N LEU A 45 -20.630 -1.619 0.655 1.00 0.00 N ATOM 727 CA LEU A 45 -20.116 -0.243 0.811 1.00 0.00 C ATOM 728 C LEU A 45 -18.949 0.032 -0.173 1.00 0.00 C ATOM 729 O LEU A 45 -17.855 -0.518 -0.017 1.00 0.00 O ATOM 730 CB LEU A 45 -19.659 -0.031 2.280 1.00 0.00 C ATOM 731 CG LEU A 45 -19.271 1.421 2.685 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.455 2.404 2.539 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.692 1.451 4.112 1.00 0.00 C ATOM 0 H LEU A 45 -20.558 -2.177 1.506 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.913 0.462 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -20.461 -0.366 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.802 -0.678 2.467 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.498 1.756 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -20.136 3.404 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.789 2.420 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -21.276 2.082 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.427 2.475 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -19.436 1.076 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.802 0.823 4.157 1.00 0.00 H new ATOM 745 N THR A 46 -19.229 0.845 -1.213 1.00 0.00 N ATOM 746 CA THR A 46 -18.236 1.212 -2.241 1.00 0.00 C ATOM 747 C THR A 46 -17.325 2.350 -1.746 1.00 0.00 C ATOM 748 O THR A 46 -17.797 3.271 -1.071 1.00 0.00 O ATOM 749 CB THR A 46 -18.920 1.629 -3.592 1.00 0.00 C ATOM 750 OG1 THR A 46 -19.880 2.674 -3.365 1.00 0.00 O ATOM 751 CG2 THR A 46 -19.623 0.449 -4.283 1.00 0.00 C ATOM 0 H THR A 46 -20.147 1.264 -1.362 1.00 0.00 H new ATOM 0 HA THR A 46 -17.630 0.325 -2.426 1.00 0.00 H new ATOM 0 HB THR A 46 -18.124 1.982 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.297 2.925 -4.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.079 0.791 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.894 -0.331 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.395 0.049 -3.625 1.00 0.00 H new ATOM 759 N ASP A 47 -16.031 2.277 -2.121 1.00 0.00 N ATOM 760 CA ASP A 47 -14.981 3.266 -1.759 1.00 0.00 C ATOM 761 C ASP A 47 -15.406 4.714 -2.058 1.00 0.00 C ATOM 762 O ASP A 47 -15.031 5.635 -1.333 1.00 0.00 O ATOM 763 CB ASP A 47 -13.677 2.973 -2.543 1.00 0.00 C ATOM 764 CG ASP A 47 -13.082 1.589 -2.261 1.00 0.00 C ATOM 765 OD1 ASP A 47 -13.513 0.606 -2.911 1.00 0.00 O ATOM 766 OD2 ASP A 47 -12.156 1.485 -1.433 1.00 0.00 O ATOM 0 H ASP A 47 -15.674 1.514 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.821 3.167 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.879 3.061 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.937 3.734 -2.295 1.00 0.00 H new ATOM 771 N ASP A 48 -16.185 4.886 -3.144 1.00 0.00 N ATOM 772 CA ASP A 48 -16.706 6.199 -3.579 1.00 0.00 C ATOM 773 C ASP A 48 -17.493 6.893 -2.456 1.00 0.00 C ATOM 774 O ASP A 48 -17.303 8.086 -2.202 1.00 0.00 O ATOM 775 CB ASP A 48 -17.614 6.032 -4.814 1.00 0.00 C ATOM 776 CG ASP A 48 -18.121 7.376 -5.373 1.00 0.00 C ATOM 777 OD1 ASP A 48 -17.375 8.024 -6.139 1.00 0.00 O ATOM 778 OD2 ASP A 48 -19.259 7.789 -5.054 1.00 0.00 O ATOM 0 H ASP A 48 -16.472 4.115 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.850 6.823 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.065 5.504 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -18.468 5.409 -4.549 1.00 0.00 H new ATOM 783 N ILE A 49 -18.363 6.115 -1.790 1.00 0.00 N ATOM 784 CA ILE A 49 -19.200 6.602 -0.679 1.00 0.00 C ATOM 785 C ILE A 49 -18.322 7.132 0.469 1.00 0.00 C ATOM 786 O ILE A 49 -18.582 8.210 1.006 1.00 0.00 O ATOM 787 CB ILE A 49 -20.161 5.467 -0.149 1.00 0.00 C ATOM 788 CG1 ILE A 49 -21.077 4.943 -1.302 1.00 0.00 C ATOM 789 CG2 ILE A 49 -21.008 5.946 1.060 1.00 0.00 C ATOM 790 CD1 ILE A 49 -21.982 3.772 -0.926 1.00 0.00 C ATOM 0 H ILE A 49 -18.506 5.129 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.814 7.419 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.539 4.643 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.700 5.766 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.446 4.641 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.656 5.136 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -20.346 6.241 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.618 6.799 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.578 3.480 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.371 2.928 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.644 4.070 -0.113 1.00 0.00 H new ATOM 802 N LEU A 50 -17.248 6.391 0.792 1.00 0.00 N ATOM 803 CA LEU A 50 -16.322 6.771 1.877 1.00 0.00 C ATOM 804 C LEU A 50 -15.621 8.093 1.558 1.00 0.00 C ATOM 805 O LEU A 50 -15.781 9.069 2.289 1.00 0.00 O ATOM 806 CB LEU A 50 -15.261 5.671 2.153 1.00 0.00 C ATOM 807 CG LEU A 50 -15.777 4.339 2.760 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.757 4.590 3.918 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.378 3.410 1.702 1.00 0.00 C ATOM 0 H LEU A 50 -16.998 5.524 0.317 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.926 6.890 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.755 5.444 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.511 6.084 2.827 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.909 3.823 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.098 3.636 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.255 5.155 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.613 5.157 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.724 2.492 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.218 3.907 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.620 3.169 0.957 1.00 0.00 H new ATOM 821 N ILE A 51 -14.893 8.115 0.431 1.00 0.00 N ATOM 822 CA ILE A 51 -14.091 9.277 0.017 1.00 0.00 C ATOM 823 C ILE A 51 -14.974 10.545 -0.053 1.00 0.00 C ATOM 824 O ILE A 51 -14.642 11.554 0.563 1.00 0.00 O ATOM 825 CB ILE A 51 -13.304 8.988 -1.331 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.004 8.140 -1.063 1.00 0.00 C ATOM 827 CG2 ILE A 51 -12.931 10.287 -2.083 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.196 6.790 -0.385 1.00 0.00 C ATOM 0 H ILE A 51 -14.844 7.330 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.327 9.464 0.772 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.981 8.414 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.504 7.974 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.329 8.736 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.394 10.036 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.839 10.836 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.297 10.906 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.228 6.306 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.660 6.935 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -12.837 6.161 -1.002 1.00 0.00 H new ATOM 840 N TYR A 52 -16.131 10.432 -0.732 1.00 0.00 N ATOM 841 CA TYR A 52 -17.167 11.491 -0.786 1.00 0.00 C ATOM 842 C TYR A 52 -17.538 12.026 0.627 1.00 0.00 C ATOM 843 O TYR A 52 -17.359 13.213 0.904 1.00 0.00 O ATOM 844 CB TYR A 52 -18.430 10.971 -1.524 1.00 0.00 C ATOM 845 CG TYR A 52 -19.566 12.002 -1.641 1.00 0.00 C ATOM 846 CD1 TYR A 52 -19.508 13.037 -2.579 1.00 0.00 C ATOM 847 CD2 TYR A 52 -20.688 11.951 -0.805 1.00 0.00 C ATOM 848 CE1 TYR A 52 -20.524 13.972 -2.675 1.00 0.00 C ATOM 849 CE2 TYR A 52 -21.699 12.882 -0.903 1.00 0.00 C ATOM 850 CZ TYR A 52 -21.612 13.889 -1.834 1.00 0.00 C ATOM 851 OH TYR A 52 -22.621 14.827 -1.921 1.00 0.00 O ATOM 0 H TYR A 52 -16.379 9.598 -1.264 1.00 0.00 H new ATOM 0 HA TYR A 52 -16.748 12.329 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -18.144 10.648 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -18.806 10.092 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.656 13.108 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.763 11.165 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -20.464 14.764 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.557 12.821 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.314 14.624 -1.259 1.00 0.00 H new ATOM 861 N HIS A 53 -17.993 11.116 1.512 1.00 0.00 N ATOM 862 CA HIS A 53 -18.516 11.456 2.872 1.00 0.00 C ATOM 863 C HIS A 53 -17.448 12.109 3.766 1.00 0.00 C ATOM 864 O HIS A 53 -17.750 13.001 4.575 1.00 0.00 O ATOM 865 CB HIS A 53 -19.090 10.187 3.577 1.00 0.00 C ATOM 866 CG HIS A 53 -20.487 9.819 3.157 1.00 0.00 C ATOM 867 ND1 HIS A 53 -21.495 9.571 4.061 1.00 0.00 N ATOM 868 CD2 HIS A 53 -21.035 9.637 1.933 1.00 0.00 C ATOM 869 CE1 HIS A 53 -22.592 9.249 3.412 1.00 0.00 C ATOM 870 NE2 HIS A 53 -22.340 9.287 2.124 1.00 0.00 N ATOM 0 H HIS A 53 -18.012 10.116 1.312 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.315 12.183 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.429 9.344 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -19.079 10.349 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -20.533 9.748 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -23.540 8.996 3.862 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -23.013 9.087 1.384 1.00 0.00 H new ATOM 879 N LEU A 54 -16.213 11.646 3.626 1.00 0.00 N ATOM 880 CA LEU A 54 -15.085 12.127 4.428 1.00 0.00 C ATOM 881 C LEU A 54 -14.563 13.469 3.892 1.00 0.00 C ATOM 882 O LEU A 54 -14.021 14.254 4.656 1.00 0.00 O ATOM 883 CB LEU A 54 -13.972 11.047 4.516 1.00 0.00 C ATOM 884 CG LEU A 54 -14.174 9.911 5.579 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.174 10.473 7.009 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.434 9.072 5.321 1.00 0.00 C ATOM 0 H LEU A 54 -15.960 10.924 2.952 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.432 12.309 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.872 10.581 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.028 11.548 4.729 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.321 9.241 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.316 9.659 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.222 10.965 7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.984 11.194 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.522 8.302 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.313 9.716 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.363 8.601 4.340 1.00 0.00 H new ATOM 898 N LYS A 55 -14.751 13.723 2.579 1.00 0.00 N ATOM 899 CA LYS A 55 -14.455 15.032 1.959 1.00 0.00 C ATOM 900 C LYS A 55 -15.469 16.092 2.410 1.00 0.00 C ATOM 901 O LYS A 55 -15.120 17.272 2.566 1.00 0.00 O ATOM 902 CB LYS A 55 -14.463 14.920 0.418 1.00 0.00 C ATOM 903 CG LYS A 55 -13.244 14.179 -0.171 1.00 0.00 C ATOM 904 CD LYS A 55 -13.253 14.098 -1.713 1.00 0.00 C ATOM 905 CE LYS A 55 -14.586 13.589 -2.284 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.542 13.423 -3.759 1.00 0.00 N ATOM 0 H LYS A 55 -15.110 13.030 1.922 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.461 15.339 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.372 14.404 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.504 15.923 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.333 14.682 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.212 13.169 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.043 15.086 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.449 13.439 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.836 12.635 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.381 14.288 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.463 13.078 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.330 14.338 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.802 12.736 -4.009 1.00 0.00 H new ATOM 920 N MET A 56 -16.728 15.645 2.594 1.00 0.00 N ATOM 921 CA MET A 56 -17.831 16.495 3.093 1.00 0.00 C ATOM 922 C MET A 56 -17.451 17.135 4.438 1.00 0.00 C ATOM 923 O MET A 56 -17.595 18.343 4.621 1.00 0.00 O ATOM 924 CB MET A 56 -19.139 15.673 3.264 1.00 0.00 C ATOM 925 CG MET A 56 -19.701 15.060 1.975 1.00 0.00 C ATOM 926 SD MET A 56 -21.145 14.014 2.273 1.00 0.00 S ATOM 927 CE MET A 56 -22.307 15.195 2.952 1.00 0.00 C ATOM 0 H MET A 56 -17.010 14.684 2.401 1.00 0.00 H new ATOM 0 HA MET A 56 -18.003 17.278 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 56 -18.954 14.870 3.978 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.900 16.319 3.702 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.972 15.859 1.285 1.00 0.00 H new ATOM 0 HG3 MET A 56 -18.924 14.470 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 56 -23.310 14.769 2.936 1.00 0.00 H new ATOM 0 HE2 MET A 56 -22.029 15.429 3.980 1.00 0.00 H new ATOM 0 HE3 MET A 56 -22.290 16.107 2.355 1.00 0.00 H new