USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 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 23 GLN : amide:sc= -0.931 K(o=-0.21,f=-11!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -173:sc= 0.725 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.366 K(o=0.52,f=-2.8!) USER MOD Set 2.2: A 14 ASN : amide:sc= 0.156 K(o=0.52,f=-1.3!) USER MOD Single : A 20 MET CE :methyl -159:sc= -1.25 (180deg=-1.8) USER MOD Single : A 21 MET CE :methyl -127:sc= -1.61 (180deg=-2.28) USER MOD Single : A 24 TYR OH : rot 150:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.508 K(o=0.51,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -0.82 K(o=-0.82,f=-2.4) USER MOD Single : A 52 MET CE :methyl -175:sc= -0.224 (180deg=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.77 (180deg=-0.373!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 3 3.517 1.754 7.606 1.00 0.00 N ATOM 71 CA ILE A 3 3.648 2.673 6.525 1.00 0.00 C ATOM 72 C ILE A 3 2.855 2.134 5.317 1.00 0.00 C ATOM 73 O ILE A 3 3.263 1.181 4.671 1.00 0.00 O ATOM 74 CB ILE A 3 5.171 2.902 6.214 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.403 3.702 4.912 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.967 1.589 6.254 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.872 3.986 4.600 1.00 0.00 C ATOM 0 HA ILE A 3 3.231 3.647 6.780 1.00 0.00 H new ATOM 0 HB ILE A 3 5.561 3.528 7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.967 3.151 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.869 4.650 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.015 1.792 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.884 1.144 7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.567 0.898 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.944 4.551 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.311 4.566 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.410 3.044 4.495 1.00 0.00 H new ATOM 89 N LEU A 4 1.670 2.708 5.091 1.00 0.00 N ATOM 90 CA LEU A 4 0.759 2.275 4.039 1.00 0.00 C ATOM 91 C LEU A 4 1.419 2.358 2.672 1.00 0.00 C ATOM 92 O LEU A 4 1.820 3.439 2.228 1.00 0.00 O ATOM 93 CB LEU A 4 -0.522 3.119 4.064 1.00 0.00 C ATOM 94 CG LEU A 4 -1.287 3.172 5.398 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.562 3.976 5.258 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.584 1.780 5.920 1.00 0.00 C ATOM 0 H LEU A 4 1.317 3.492 5.640 1.00 0.00 H new ATOM 0 HA LEU A 4 0.500 1.233 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.264 4.139 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.197 2.736 3.299 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.647 3.671 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.085 3.999 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.319 4.994 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.202 3.515 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.125 1.853 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.192 1.241 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.648 1.244 6.079 1.00 0.00 H new ATOM 108 N GLY A 5 1.550 1.223 2.035 1.00 0.00 N ATOM 109 CA GLY A 5 2.199 1.163 0.757 1.00 0.00 C ATOM 110 C GLY A 5 3.516 0.426 0.849 1.00 0.00 C ATOM 111 O GLY A 5 4.018 -0.082 -0.138 1.00 0.00 O ATOM 0 H GLY A 5 1.213 0.326 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.549 0.664 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.369 2.173 0.384 1.00 0.00 H new ATOM 115 N ASP A 6 4.073 0.359 2.036 1.00 0.00 N ATOM 116 CA ASP A 6 5.321 -0.316 2.235 1.00 0.00 C ATOM 117 C ASP A 6 5.120 -1.531 3.132 1.00 0.00 C ATOM 118 O ASP A 6 5.187 -1.468 4.352 1.00 0.00 O ATOM 119 CB ASP A 6 6.381 0.645 2.748 1.00 0.00 C ATOM 120 CG ASP A 6 7.697 -0.014 2.984 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.094 -0.875 2.178 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.387 0.346 3.928 1.00 0.00 O ATOM 0 H ASP A 6 3.673 0.769 2.880 1.00 0.00 H new ATOM 0 HA ASP A 6 5.692 -0.687 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.509 1.454 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.035 1.097 3.678 1.00 0.00 H new ATOM 127 N LEU A 7 4.807 -2.609 2.474 1.00 0.00 N ATOM 128 CA LEU A 7 4.438 -3.875 3.054 1.00 0.00 C ATOM 129 C LEU A 7 5.647 -4.664 3.537 1.00 0.00 C ATOM 130 O LEU A 7 5.581 -5.348 4.563 1.00 0.00 O ATOM 131 CB LEU A 7 3.663 -4.709 2.019 1.00 0.00 C ATOM 132 CG LEU A 7 2.218 -4.281 1.640 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.132 -2.898 1.021 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.648 -5.272 0.685 1.00 0.00 C ATOM 0 H LEU A 7 4.801 -2.633 1.454 1.00 0.00 H new ATOM 0 HA LEU A 7 3.812 -3.667 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.252 -4.727 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.617 -5.733 2.389 1.00 0.00 H new ATOM 0 HG LEU A 7 1.651 -4.247 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.093 -2.670 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.514 -2.159 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.727 -2.870 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.634 -4.976 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.265 -5.309 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.627 -6.257 1.152 1.00 0.00 H new ATOM 146 N ASN A 8 6.744 -4.585 2.789 1.00 0.00 N ATOM 147 CA ASN A 8 7.969 -5.334 3.144 1.00 0.00 C ATOM 148 C ASN A 8 8.823 -4.549 4.113 1.00 0.00 C ATOM 149 O ASN A 8 9.808 -5.069 4.651 1.00 0.00 O ATOM 150 CB ASN A 8 8.789 -5.798 1.897 1.00 0.00 C ATOM 151 CG ASN A 8 9.432 -4.677 1.093 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.952 -3.565 1.057 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.490 -4.979 0.400 1.00 0.00 N ATOM 0 H ASN A 8 6.821 -4.021 1.943 1.00 0.00 H new ATOM 0 HA ASN A 8 7.641 -6.247 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.571 -6.480 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.130 -6.365 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.933 -4.273 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.877 -5.921 0.445 1.00 0.00 H new ATOM 160 N ASP A 9 8.409 -3.305 4.345 1.00 0.00 N ATOM 161 CA ASP A 9 9.032 -2.391 5.296 1.00 0.00 C ATOM 162 C ASP A 9 10.484 -2.089 4.928 1.00 0.00 C ATOM 163 O ASP A 9 11.444 -2.489 5.612 1.00 0.00 O ATOM 164 CB ASP A 9 8.855 -2.854 6.758 1.00 0.00 C ATOM 165 CG ASP A 9 9.428 -1.891 7.777 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.157 -0.699 7.691 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.126 -2.331 8.724 1.00 0.00 O ATOM 0 H ASP A 9 7.609 -2.895 3.863 1.00 0.00 H new ATOM 0 HA ASP A 9 8.500 -1.442 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.793 -2.992 6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.332 -3.826 6.882 1.00 0.00 H new ATOM 172 N ASP A 10 10.639 -1.473 3.786 1.00 0.00 N ATOM 173 CA ASP A 10 11.948 -1.101 3.275 1.00 0.00 C ATOM 174 C ASP A 10 12.029 0.408 3.046 1.00 0.00 C ATOM 175 O ASP A 10 13.042 0.936 2.586 1.00 0.00 O ATOM 176 CB ASP A 10 12.341 -1.914 2.012 1.00 0.00 C ATOM 177 CG ASP A 10 11.490 -1.689 0.771 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.537 -0.894 0.783 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.738 -2.362 -0.246 1.00 0.00 O ATOM 0 H ASP A 10 9.864 -1.211 3.176 1.00 0.00 H new ATOM 0 HA ASP A 10 12.686 -1.359 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.376 -1.680 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.305 -2.974 2.263 1.00 0.00 H new ATOM 184 N GLY A 11 10.936 1.091 3.362 1.00 0.00 N ATOM 185 CA GLY A 11 10.888 2.539 3.333 1.00 0.00 C ATOM 186 C GLY A 11 10.448 3.136 2.035 1.00 0.00 C ATOM 187 O GLY A 11 10.469 4.363 1.879 1.00 0.00 O ATOM 0 H GLY A 11 10.060 0.652 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.213 2.880 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.879 2.924 3.574 1.00 0.00 H new ATOM 191 N VAL A 12 10.032 2.322 1.116 1.00 0.00 N ATOM 192 CA VAL A 12 9.684 2.813 -0.194 1.00 0.00 C ATOM 193 C VAL A 12 8.628 1.920 -0.852 1.00 0.00 C ATOM 194 O VAL A 12 8.615 0.708 -0.643 1.00 0.00 O ATOM 195 CB VAL A 12 10.983 2.939 -1.070 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.731 1.614 -1.164 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.699 3.517 -2.448 1.00 0.00 C ATOM 0 H VAL A 12 9.923 1.316 1.241 1.00 0.00 H new ATOM 0 HA VAL A 12 9.240 3.804 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 12 11.634 3.648 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.623 1.742 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.022 1.289 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.084 0.862 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.629 3.583 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.998 2.870 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.266 4.512 -2.343 1.00 0.00 H new ATOM 207 N VAL A 13 7.711 2.530 -1.577 1.00 0.00 N ATOM 208 CA VAL A 13 6.696 1.813 -2.314 1.00 0.00 C ATOM 209 C VAL A 13 7.296 1.235 -3.613 1.00 0.00 C ATOM 210 O VAL A 13 7.461 1.928 -4.622 1.00 0.00 O ATOM 211 CB VAL A 13 5.455 2.722 -2.594 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.707 2.978 -1.301 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.861 4.077 -3.192 1.00 0.00 C ATOM 0 H VAL A 13 7.651 3.544 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 13 6.343 0.979 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 13 4.825 2.197 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.843 3.612 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.372 2.030 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.367 3.477 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.969 4.677 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.517 4.600 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.386 3.917 -4.134 1.00 0.00 H new ATOM 223 N ASN A 14 7.674 -0.016 -3.550 1.00 0.00 N ATOM 224 CA ASN A 14 8.378 -0.683 -4.631 1.00 0.00 C ATOM 225 C ASN A 14 7.697 -1.965 -5.081 1.00 0.00 C ATOM 226 O ASN A 14 6.700 -2.384 -4.500 1.00 0.00 O ATOM 227 CB ASN A 14 9.861 -0.909 -4.280 1.00 0.00 C ATOM 228 CG ASN A 14 10.139 -1.798 -3.090 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.342 -1.952 -2.160 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.284 -2.347 -3.079 1.00 0.00 N ATOM 0 H ASN A 14 7.503 -0.612 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 14 8.340 -0.010 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.357 -1.338 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.321 0.062 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.562 -2.930 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.925 -2.205 -3.859 1.00 0.00 H new ATOM 237 N GLY A 15 8.286 -2.622 -6.087 1.00 0.00 N ATOM 238 CA GLY A 15 7.715 -3.841 -6.680 1.00 0.00 C ATOM 239 C GLY A 15 7.686 -5.020 -5.720 1.00 0.00 C ATOM 240 O GLY A 15 6.926 -5.971 -5.902 1.00 0.00 O ATOM 0 H GLY A 15 9.166 -2.328 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.700 -3.631 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.295 -4.114 -7.562 1.00 0.00 H new ATOM 244 N ARG A 16 8.502 -4.941 -4.687 1.00 0.00 N ATOM 245 CA ARG A 16 8.572 -5.979 -3.667 1.00 0.00 C ATOM 246 C ARG A 16 7.302 -5.981 -2.843 1.00 0.00 C ATOM 247 O ARG A 16 6.869 -7.019 -2.362 1.00 0.00 O ATOM 248 CB ARG A 16 9.763 -5.743 -2.753 1.00 0.00 C ATOM 249 CG ARG A 16 11.084 -5.628 -3.476 1.00 0.00 C ATOM 250 CD ARG A 16 11.447 -6.885 -4.209 1.00 0.00 C ATOM 251 NE ARG A 16 12.566 -6.673 -5.111 1.00 0.00 N ATOM 252 CZ ARG A 16 12.939 -7.516 -6.066 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.386 -8.736 -6.148 1.00 0.00 N ATOM 254 NH2 ARG A 16 13.876 -7.151 -6.928 1.00 0.00 N ATOM 0 H ARG A 16 9.136 -4.158 -4.528 1.00 0.00 H new ATOM 0 HA ARG A 16 8.687 -6.943 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.593 -4.830 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.824 -6.561 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.037 -4.799 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.869 -5.390 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.700 -7.665 -3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.585 -7.239 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 16 13.104 -5.813 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.675 -9.020 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.677 -9.379 -6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.305 -6.228 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.169 -7.792 -7.665 1.00 0.00 H new ATOM 268 N ASP A 17 6.689 -4.808 -2.716 1.00 0.00 N ATOM 269 CA ASP A 17 5.456 -4.661 -1.970 1.00 0.00 C ATOM 270 C ASP A 17 4.349 -5.359 -2.695 1.00 0.00 C ATOM 271 O ASP A 17 3.522 -6.003 -2.077 1.00 0.00 O ATOM 272 CB ASP A 17 5.093 -3.205 -1.759 1.00 0.00 C ATOM 273 CG ASP A 17 6.119 -2.463 -0.967 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.401 -2.812 0.184 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.734 -1.531 -1.469 1.00 0.00 O ATOM 0 H ASP A 17 7.035 -3.941 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 17 5.603 -5.110 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.969 -2.722 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.132 -3.145 -1.248 1.00 0.00 H new ATOM 280 N ILE A 18 4.365 -5.231 -4.027 1.00 0.00 N ATOM 281 CA ILE A 18 3.442 -5.927 -4.936 1.00 0.00 C ATOM 282 C ILE A 18 3.415 -7.421 -4.634 1.00 0.00 C ATOM 283 O ILE A 18 2.351 -8.035 -4.592 1.00 0.00 O ATOM 284 CB ILE A 18 3.846 -5.695 -6.449 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.412 -4.327 -6.958 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.298 -6.771 -7.377 1.00 0.00 C ATOM 287 CD1 ILE A 18 3.978 -3.153 -6.248 1.00 0.00 C ATOM 0 H ILE A 18 5.031 -4.631 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 18 2.447 -5.513 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 18 4.935 -5.750 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.681 -4.252 -8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.325 -4.270 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.607 -6.560 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.685 -7.744 -7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.209 -6.780 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.597 -2.237 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.688 -3.188 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.065 -3.171 -6.325 1.00 0.00 H new ATOM 299 N VAL A 19 4.584 -7.971 -4.410 1.00 0.00 N ATOM 300 CA VAL A 19 4.744 -9.384 -4.094 1.00 0.00 C ATOM 301 C VAL A 19 4.017 -9.707 -2.801 1.00 0.00 C ATOM 302 O VAL A 19 3.126 -10.535 -2.793 1.00 0.00 O ATOM 303 CB VAL A 19 6.235 -9.763 -3.952 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.415 -11.272 -3.824 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.030 -9.209 -5.116 1.00 0.00 C ATOM 0 H VAL A 19 5.462 -7.453 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 19 4.319 -9.962 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 19 6.616 -9.316 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.475 -11.505 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.882 -11.629 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.017 -11.763 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.079 -9.483 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.645 -9.621 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.939 -8.123 -5.135 1.00 0.00 H new ATOM 315 N MET A 20 4.353 -8.961 -1.752 1.00 0.00 N ATOM 316 CA MET A 20 3.797 -9.134 -0.390 1.00 0.00 C ATOM 317 C MET A 20 2.267 -9.017 -0.419 1.00 0.00 C ATOM 318 O MET A 20 1.551 -9.785 0.234 1.00 0.00 O ATOM 319 CB MET A 20 4.339 -8.039 0.525 1.00 0.00 C ATOM 320 CG MET A 20 5.850 -7.851 0.483 1.00 0.00 C ATOM 321 SD MET A 20 6.788 -9.176 1.254 1.00 0.00 S ATOM 322 CE MET A 20 6.396 -8.904 2.979 1.00 0.00 C ATOM 0 H MET A 20 5.031 -8.202 -1.814 1.00 0.00 H new ATOM 0 HA MET A 20 4.085 -10.119 -0.023 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.863 -7.095 0.258 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.045 -8.265 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.163 -7.759 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.100 -6.911 0.976 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.157 -9.373 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.369 -7.833 3.182 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.423 -9.340 3.204 1.00 0.00 H new ATOM 332 N MET A 21 1.806 -8.035 -1.191 1.00 0.00 N ATOM 333 CA MET A 21 0.391 -7.739 -1.442 1.00 0.00 C ATOM 334 C MET A 21 -0.291 -8.982 -1.957 1.00 0.00 C ATOM 335 O MET A 21 -1.221 -9.495 -1.344 1.00 0.00 O ATOM 336 CB MET A 21 0.331 -6.660 -2.535 1.00 0.00 C ATOM 337 CG MET A 21 -1.045 -6.121 -2.962 1.00 0.00 C ATOM 338 SD MET A 21 -1.666 -4.714 -2.006 1.00 0.00 S ATOM 339 CE MET A 21 -2.053 -5.411 -0.424 1.00 0.00 C ATOM 0 H MET A 21 2.432 -7.395 -1.681 1.00 0.00 H new ATOM 0 HA MET A 21 -0.100 -7.403 -0.528 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.928 -5.813 -2.197 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.820 -7.061 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.991 -5.829 -4.011 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.770 -6.932 -2.894 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.080 -5.160 -0.157 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.944 -6.495 -0.467 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.374 -5.007 0.327 1.00 0.00 H new ATOM 349 N ARG A 22 0.249 -9.487 -3.055 1.00 0.00 N ATOM 350 CA ARG A 22 -0.274 -10.635 -3.759 1.00 0.00 C ATOM 351 C ARG A 22 -0.223 -11.898 -2.919 1.00 0.00 C ATOM 352 O ARG A 22 -1.094 -12.729 -3.042 1.00 0.00 O ATOM 353 CB ARG A 22 0.473 -10.827 -5.073 1.00 0.00 C ATOM 354 CG ARG A 22 0.199 -9.759 -6.112 1.00 0.00 C ATOM 355 CD ARG A 22 1.115 -9.924 -7.311 1.00 0.00 C ATOM 356 NE ARG A 22 0.912 -8.869 -8.319 1.00 0.00 N ATOM 357 CZ ARG A 22 1.102 -9.013 -9.647 1.00 0.00 C ATOM 358 NH1 ARG A 22 1.280 -10.219 -10.172 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.080 -7.949 -10.443 1.00 0.00 N ATOM 0 H ARG A 22 1.085 -9.095 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.325 -10.441 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.543 -10.851 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.207 -11.798 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.841 -9.816 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.343 -8.772 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.153 -9.910 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.940 -10.898 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 22 0.603 -7.956 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.274 -11.043 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.423 -10.322 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.919 -7.021 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.224 -8.060 -11.447 1.00 0.00 H new ATOM 373 N GLN A 23 0.796 -12.028 -2.062 1.00 0.00 N ATOM 374 CA GLN A 23 0.926 -13.177 -1.178 1.00 0.00 C ATOM 375 C GLN A 23 -0.263 -13.276 -0.252 1.00 0.00 C ATOM 376 O GLN A 23 -0.942 -14.298 -0.200 1.00 0.00 O ATOM 377 CB GLN A 23 2.151 -13.058 -0.295 1.00 0.00 C ATOM 378 CG GLN A 23 3.488 -12.886 -0.981 1.00 0.00 C ATOM 379 CD GLN A 23 3.885 -14.032 -1.888 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.060 -14.685 -2.529 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.137 -14.322 -1.919 1.00 0.00 N ATOM 0 H GLN A 23 1.545 -11.342 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 23 1.000 -14.054 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.004 -12.210 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.205 -13.950 0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.465 -11.967 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.258 -12.759 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.802 -13.768 -1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.465 -15.107 -2.482 1.00 0.00 H new ATOM 390 N TYR A 24 -0.511 -12.200 0.471 1.00 0.00 N ATOM 391 CA TYR A 24 -1.576 -12.155 1.441 1.00 0.00 C ATOM 392 C TYR A 24 -2.931 -12.265 0.746 1.00 0.00 C ATOM 393 O TYR A 24 -3.811 -12.986 1.197 1.00 0.00 O ATOM 394 CB TYR A 24 -1.470 -10.876 2.227 1.00 0.00 C ATOM 395 CG TYR A 24 -2.381 -10.809 3.424 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.683 -10.359 3.300 1.00 0.00 C ATOM 397 CD2 TYR A 24 -1.935 -11.189 4.675 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.512 -10.288 4.376 1.00 0.00 C ATOM 399 CE2 TYR A 24 -2.763 -11.124 5.767 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.053 -10.672 5.616 1.00 0.00 C ATOM 401 OH TYR A 24 -4.880 -10.595 6.707 1.00 0.00 O ATOM 0 H TYR A 24 0.024 -11.334 0.398 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.488 -12.999 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.440 -10.753 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.694 -10.038 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.049 -10.058 2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.921 -11.542 4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.525 -9.932 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.404 -11.426 6.740 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.632 -11.287 7.355 1.00 0.00 H new ATOM 411 N LEU A 25 -3.063 -11.548 -0.352 1.00 0.00 N ATOM 412 CA LEU A 25 -4.276 -11.605 -1.211 1.00 0.00 C ATOM 413 C LEU A 25 -4.550 -13.029 -1.716 1.00 0.00 C ATOM 414 O LEU A 25 -5.702 -13.439 -1.842 1.00 0.00 O ATOM 415 CB LEU A 25 -4.172 -10.657 -2.412 1.00 0.00 C ATOM 416 CG LEU A 25 -4.196 -9.148 -2.128 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.968 -8.383 -3.411 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.520 -8.709 -1.510 1.00 0.00 C ATOM 0 H LEU A 25 -2.347 -10.905 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.106 -11.286 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.247 -10.885 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.993 -10.884 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.400 -8.934 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.986 -7.313 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.999 -8.656 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.754 -8.628 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.497 -7.635 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.336 -8.941 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.675 -9.237 -0.569 1.00 0.00 H new ATOM 430 N ALA A 26 -3.492 -13.772 -2.002 1.00 0.00 N ATOM 431 CA ALA A 26 -3.610 -15.168 -2.436 1.00 0.00 C ATOM 432 C ALA A 26 -4.005 -16.061 -1.269 1.00 0.00 C ATOM 433 O ALA A 26 -4.557 -17.151 -1.456 1.00 0.00 O ATOM 434 CB ALA A 26 -2.301 -15.665 -3.033 1.00 0.00 C ATOM 0 H ALA A 26 -2.532 -13.434 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.386 -15.212 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.415 -16.703 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.038 -15.052 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.511 -15.597 -2.285 1.00 0.00 H new ATOM 440 N GLY A 27 -3.725 -15.596 -0.076 1.00 0.00 N ATOM 441 CA GLY A 27 -4.045 -16.320 1.097 1.00 0.00 C ATOM 442 C GLY A 27 -2.841 -16.959 1.733 1.00 0.00 C ATOM 443 O GLY A 27 -2.968 -17.973 2.412 1.00 0.00 O ATOM 0 H GLY A 27 -3.267 -14.700 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.517 -15.649 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.775 -17.092 0.854 1.00 0.00 H new ATOM 447 N LYS A 28 -1.668 -16.403 1.500 1.00 0.00 N ATOM 448 CA LYS A 28 -0.453 -16.919 2.103 1.00 0.00 C ATOM 449 C LYS A 28 -0.164 -16.189 3.400 1.00 0.00 C ATOM 450 O LYS A 28 -0.653 -15.073 3.622 1.00 0.00 O ATOM 451 CB LYS A 28 0.767 -16.759 1.178 1.00 0.00 C ATOM 452 CG LYS A 28 0.637 -17.375 -0.188 1.00 0.00 C ATOM 453 CD LYS A 28 1.945 -17.212 -0.919 1.00 0.00 C ATOM 454 CE LYS A 28 1.927 -17.821 -2.300 1.00 0.00 C ATOM 455 NZ LYS A 28 3.194 -17.554 -3.003 1.00 0.00 N ATOM 0 H LYS A 28 -1.530 -15.592 0.896 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.618 -17.981 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.972 -15.695 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.634 -17.197 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.381 -18.431 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.169 -16.895 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.181 -16.151 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.742 -17.673 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.766 -18.896 -2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.094 -17.412 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.118 -17.876 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.392 -16.533 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.967 -18.064 -2.531 1.00 0.00 H new ATOM 469 N THR A 29 0.612 -16.810 4.242 1.00 0.00 N ATOM 470 CA THR A 29 1.062 -16.201 5.462 1.00 0.00 C ATOM 471 C THR A 29 2.431 -15.599 5.162 1.00 0.00 C ATOM 472 O THR A 29 3.410 -16.335 4.921 1.00 0.00 O ATOM 473 CB THR A 29 1.182 -17.243 6.595 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.057 -17.991 6.703 1.00 0.00 O ATOM 475 CG2 THR A 29 1.466 -16.557 7.924 1.00 0.00 C ATOM 0 H THR A 29 0.953 -17.761 4.100 1.00 0.00 H new ATOM 0 HA THR A 29 0.352 -15.445 5.797 1.00 0.00 H new ATOM 0 HB THR A 29 2.005 -17.917 6.359 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.022 -18.653 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.547 -17.307 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.401 -16.002 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.653 -15.870 8.160 1.00 0.00 H new ATOM 483 N VAL A 30 2.502 -14.295 5.124 1.00 0.00 N ATOM 484 CA VAL A 30 3.706 -13.637 4.705 1.00 0.00 C ATOM 485 C VAL A 30 4.557 -13.304 5.919 1.00 0.00 C ATOM 486 O VAL A 30 4.116 -12.600 6.822 1.00 0.00 O ATOM 487 CB VAL A 30 3.406 -12.336 3.917 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.582 -11.950 3.037 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.124 -12.440 3.105 1.00 0.00 C ATOM 0 H VAL A 30 1.738 -13.669 5.379 1.00 0.00 H new ATOM 0 HA VAL A 30 4.242 -14.317 4.044 1.00 0.00 H new ATOM 0 HB VAL A 30 3.254 -11.544 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.346 -11.034 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.463 -11.787 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.782 -12.751 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.955 -11.505 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.212 -13.257 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.285 -12.632 3.773 1.00 0.00 H new ATOM 499 N SER A 31 5.736 -13.845 5.954 1.00 0.00 N ATOM 500 CA SER A 31 6.662 -13.587 7.017 1.00 0.00 C ATOM 501 C SER A 31 7.293 -12.197 6.849 1.00 0.00 C ATOM 502 O SER A 31 7.801 -11.853 5.761 1.00 0.00 O ATOM 503 CB SER A 31 7.733 -14.690 7.046 1.00 0.00 C ATOM 504 OG SER A 31 8.694 -14.488 8.079 1.00 0.00 O ATOM 0 H SER A 31 6.087 -14.484 5.240 1.00 0.00 H new ATOM 0 HA SER A 31 6.134 -13.596 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.251 -15.657 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.241 -14.724 6.082 1.00 0.00 H new ATOM 0 HG SER A 31 9.353 -15.214 8.060 1.00 0.00 H new ATOM 510 N GLY A 32 7.209 -11.401 7.895 1.00 0.00 N ATOM 511 CA GLY A 32 7.829 -10.103 7.916 1.00 0.00 C ATOM 512 C GLY A 32 7.055 -9.067 7.148 1.00 0.00 C ATOM 513 O GLY A 32 7.638 -8.149 6.571 1.00 0.00 O ATOM 0 H GLY A 32 6.708 -11.640 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.937 -9.775 8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.833 -10.180 7.500 1.00 0.00 H new ATOM 517 N ILE A 33 5.760 -9.208 7.118 1.00 0.00 N ATOM 518 CA ILE A 33 4.934 -8.263 6.433 1.00 0.00 C ATOM 519 C ILE A 33 4.294 -7.345 7.459 1.00 0.00 C ATOM 520 O ILE A 33 4.067 -7.755 8.611 1.00 0.00 O ATOM 521 CB ILE A 33 3.823 -8.993 5.581 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.151 -8.019 4.597 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.758 -9.660 6.477 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.196 -8.703 3.621 1.00 0.00 C ATOM 0 H ILE A 33 5.254 -9.974 7.563 1.00 0.00 H new ATOM 0 HA ILE A 33 5.547 -7.682 5.744 1.00 0.00 H new ATOM 0 HB ILE A 33 4.323 -9.777 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.603 -7.265 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.922 -7.496 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.012 -10.151 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.235 -10.399 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.273 -8.902 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.758 -7.957 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.744 -9.437 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.403 -9.203 4.178 1.00 0.00 H new ATOM 536 N ASP A 34 4.080 -6.112 7.105 1.00 0.00 N ATOM 537 CA ASP A 34 3.282 -5.261 7.956 1.00 0.00 C ATOM 538 C ASP A 34 1.896 -5.417 7.437 1.00 0.00 C ATOM 539 O ASP A 34 1.558 -4.822 6.434 1.00 0.00 O ATOM 540 CB ASP A 34 3.677 -3.783 7.887 1.00 0.00 C ATOM 541 CG ASP A 34 2.970 -2.950 8.972 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.649 -2.278 9.763 1.00 0.00 O ATOM 543 OD2 ASP A 34 1.727 -2.980 9.066 1.00 0.00 O ATOM 0 H ASP A 34 4.435 -5.675 6.254 1.00 0.00 H new ATOM 0 HA ASP A 34 3.410 -5.549 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.757 -3.690 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.427 -3.386 6.903 1.00 0.00 H new ATOM 548 N LYS A 35 1.111 -6.239 8.096 1.00 0.00 N ATOM 549 CA LYS A 35 -0.218 -6.647 7.643 1.00 0.00 C ATOM 550 C LYS A 35 -1.208 -5.460 7.565 1.00 0.00 C ATOM 551 O LYS A 35 -2.248 -5.530 6.898 1.00 0.00 O ATOM 552 CB LYS A 35 -0.741 -7.711 8.597 1.00 0.00 C ATOM 553 CG LYS A 35 -1.914 -8.516 8.072 1.00 0.00 C ATOM 554 CD LYS A 35 -2.475 -9.456 9.143 1.00 0.00 C ATOM 555 CE LYS A 35 -1.405 -10.406 9.680 1.00 0.00 C ATOM 556 NZ LYS A 35 -1.939 -11.326 10.694 1.00 0.00 N ATOM 0 H LYS A 35 1.378 -6.658 8.987 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.133 -7.043 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.073 -8.395 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.037 -7.229 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.699 -7.839 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.599 -9.097 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.885 -8.868 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.298 -10.035 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.985 -10.981 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.590 -9.826 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.179 -11.951 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.317 -10.779 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.700 -11.899 10.276 1.00 0.00 H new ATOM 570 N ASN A 36 -0.857 -4.379 8.204 1.00 0.00 N ATOM 571 CA ASN A 36 -1.682 -3.206 8.272 1.00 0.00 C ATOM 572 C ASN A 36 -1.351 -2.303 7.097 1.00 0.00 C ATOM 573 O ASN A 36 -2.190 -1.537 6.636 1.00 0.00 O ATOM 574 CB ASN A 36 -1.378 -2.441 9.562 1.00 0.00 C ATOM 575 CG ASN A 36 -1.291 -3.308 10.791 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.276 -3.537 11.501 1.00 0.00 O ATOM 577 ND2 ASN A 36 -0.101 -3.785 11.072 1.00 0.00 N ATOM 0 H ASN A 36 0.028 -4.287 8.702 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.731 -3.500 8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.435 -1.907 9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.152 -1.689 9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.033 -4.366 11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.690 -3.575 10.463 1.00 0.00 H new ATOM 584 N ALA A 37 -0.123 -2.453 6.561 1.00 0.00 N ATOM 585 CA ALA A 37 0.386 -1.585 5.497 1.00 0.00 C ATOM 586 C ALA A 37 -0.199 -1.951 4.159 1.00 0.00 C ATOM 587 O ALA A 37 -0.002 -1.241 3.166 1.00 0.00 O ATOM 588 CB ALA A 37 1.900 -1.642 5.438 1.00 0.00 C ATOM 0 H ALA A 37 0.534 -3.175 6.855 1.00 0.00 H new ATOM 0 HA ALA A 37 0.080 -0.566 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.258 -0.990 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.314 -1.311 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.218 -2.666 5.240 1.00 0.00 H new ATOM 594 N LEU A 38 -0.911 -3.064 4.148 1.00 0.00 N ATOM 595 CA LEU A 38 -1.576 -3.567 2.974 1.00 0.00 C ATOM 596 C LEU A 38 -2.806 -2.781 2.698 1.00 0.00 C ATOM 597 O LEU A 38 -3.207 -2.674 1.576 1.00 0.00 O ATOM 598 CB LEU A 38 -1.961 -5.053 3.093 1.00 0.00 C ATOM 599 CG LEU A 38 -0.846 -6.086 3.024 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.047 -5.992 4.174 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.405 -7.460 2.937 1.00 0.00 C ATOM 0 H LEU A 38 -1.041 -3.649 4.973 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.863 -3.467 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.484 -5.188 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.675 -5.278 2.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.269 -5.875 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.830 -6.745 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.499 -5.001 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.520 -6.160 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.590 -8.182 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.016 -7.661 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.020 -7.547 2.041 1.00 0.00 H new ATOM 613 N ASP A 39 -3.409 -2.221 3.730 1.00 0.00 N ATOM 614 CA ASP A 39 -4.604 -1.440 3.547 1.00 0.00 C ATOM 615 C ASP A 39 -4.228 -0.008 3.216 1.00 0.00 C ATOM 616 O ASP A 39 -4.199 0.884 4.057 1.00 0.00 O ATOM 617 CB ASP A 39 -5.538 -1.557 4.741 1.00 0.00 C ATOM 618 CG ASP A 39 -6.784 -0.719 4.597 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.516 -0.851 3.586 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.081 0.072 5.502 1.00 0.00 O ATOM 0 H ASP A 39 -3.089 -2.295 4.696 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.168 -1.835 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.822 -2.601 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.006 -1.255 5.643 1.00 0.00 H new ATOM 625 N ILE A 40 -3.850 0.149 1.991 1.00 0.00 N ATOM 626 CA ILE A 40 -3.317 1.363 1.444 1.00 0.00 C ATOM 627 C ILE A 40 -4.403 2.405 1.229 1.00 0.00 C ATOM 628 O ILE A 40 -4.198 3.593 1.495 1.00 0.00 O ATOM 629 CB ILE A 40 -2.569 1.043 0.130 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.576 -0.076 0.420 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.831 2.279 -0.378 1.00 0.00 C ATOM 632 CD1 ILE A 40 -0.927 -0.686 -0.783 1.00 0.00 C ATOM 0 H ILE A 40 -3.906 -0.603 1.304 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.614 1.793 2.157 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.277 0.736 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.796 0.314 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.091 -0.862 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.310 2.036 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.547 3.080 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.109 2.605 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.240 -1.471 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.692 -1.113 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.376 0.081 -1.328 1.00 0.00 H new ATOM 644 N ASN A 41 -5.580 1.964 0.801 1.00 0.00 N ATOM 645 CA ASN A 41 -6.674 2.907 0.528 1.00 0.00 C ATOM 646 C ASN A 41 -7.375 3.309 1.828 1.00 0.00 C ATOM 647 O ASN A 41 -8.229 4.196 1.834 1.00 0.00 O ATOM 648 CB ASN A 41 -7.702 2.340 -0.488 1.00 0.00 C ATOM 649 CG ASN A 41 -8.652 1.303 0.082 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.343 0.578 1.018 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.798 1.195 -0.494 1.00 0.00 N ATOM 0 H ASN A 41 -5.806 0.983 0.636 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.227 3.792 0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.287 3.166 -0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.160 1.896 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.467 0.496 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.037 1.809 -1.273 1.00 0.00 H new ATOM 658 N GLY A 42 -7.003 2.635 2.918 1.00 0.00 N ATOM 659 CA GLY A 42 -7.560 2.936 4.217 1.00 0.00 C ATOM 660 C GLY A 42 -9.043 2.590 4.361 1.00 0.00 C ATOM 661 O GLY A 42 -9.862 3.475 4.650 1.00 0.00 O ATOM 0 H GLY A 42 -6.318 1.879 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.997 2.393 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.425 3.998 4.420 1.00 0.00 H new ATOM 665 N ASP A 43 -9.397 1.334 4.155 1.00 0.00 N ATOM 666 CA ASP A 43 -10.789 0.892 4.343 1.00 0.00 C ATOM 667 C ASP A 43 -10.905 -0.101 5.491 1.00 0.00 C ATOM 668 O ASP A 43 -12.004 -0.385 5.978 1.00 0.00 O ATOM 669 CB ASP A 43 -11.489 0.357 3.046 1.00 0.00 C ATOM 670 CG ASP A 43 -10.806 -0.820 2.381 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.252 -1.677 3.037 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.761 -0.904 1.147 1.00 0.00 O ATOM 0 H ASP A 43 -8.754 0.599 3.860 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.340 1.796 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.510 0.070 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.555 1.172 2.326 1.00 0.00 H new ATOM 677 N GLY A 44 -9.777 -0.618 5.930 1.00 0.00 N ATOM 678 CA GLY A 44 -9.758 -1.541 7.032 1.00 0.00 C ATOM 679 C GLY A 44 -9.644 -2.987 6.601 1.00 0.00 C ATOM 680 O GLY A 44 -9.515 -3.883 7.446 1.00 0.00 O ATOM 0 H GLY A 44 -8.860 -0.410 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.921 -1.297 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.668 -1.415 7.618 1.00 0.00 H new ATOM 684 N ALA A 45 -9.686 -3.230 5.314 1.00 0.00 N ATOM 685 CA ALA A 45 -9.601 -4.572 4.783 1.00 0.00 C ATOM 686 C ALA A 45 -8.564 -4.646 3.681 1.00 0.00 C ATOM 687 O ALA A 45 -8.341 -3.673 2.961 1.00 0.00 O ATOM 688 CB ALA A 45 -10.954 -5.009 4.260 1.00 0.00 C ATOM 0 H ALA A 45 -9.780 -2.504 4.603 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.297 -5.244 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.881 -6.021 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.681 -4.990 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.275 -4.331 3.470 1.00 0.00 H new ATOM 694 N VAL A 46 -7.936 -5.776 3.546 1.00 0.00 N ATOM 695 CA VAL A 46 -6.955 -5.988 2.543 1.00 0.00 C ATOM 696 C VAL A 46 -7.657 -6.515 1.299 1.00 0.00 C ATOM 697 O VAL A 46 -8.120 -7.663 1.259 1.00 0.00 O ATOM 698 CB VAL A 46 -5.892 -6.983 3.021 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.856 -7.147 1.971 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.250 -6.519 4.323 1.00 0.00 C ATOM 0 H VAL A 46 -8.099 -6.586 4.144 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.446 -5.050 2.319 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.376 -7.942 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.101 -7.855 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.319 -7.522 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.386 -6.184 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.500 -7.245 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.775 -5.550 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.015 -6.430 5.094 1.00 0.00 H new ATOM 710 N ASN A 47 -7.792 -5.660 0.335 1.00 0.00 N ATOM 711 CA ASN A 47 -8.542 -5.941 -0.870 1.00 0.00 C ATOM 712 C ASN A 47 -7.815 -5.481 -2.120 1.00 0.00 C ATOM 713 O ASN A 47 -6.753 -4.864 -2.031 1.00 0.00 O ATOM 714 CB ASN A 47 -9.978 -5.364 -0.746 1.00 0.00 C ATOM 715 CG ASN A 47 -10.056 -3.943 -0.162 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.234 -3.061 -0.437 1.00 0.00 O ATOM 717 ND2 ASN A 47 -10.990 -3.742 0.714 1.00 0.00 N ATOM 0 H ASN A 47 -7.380 -4.727 0.354 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.632 -7.022 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.439 -5.361 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.570 -6.032 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.057 -2.843 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.658 -4.483 0.926 1.00 0.00 H new ATOM 724 N GLY A 48 -8.403 -5.757 -3.293 1.00 0.00 N ATOM 725 CA GLY A 48 -7.776 -5.419 -4.578 1.00 0.00 C ATOM 726 C GLY A 48 -7.693 -3.938 -4.818 1.00 0.00 C ATOM 727 O GLY A 48 -6.955 -3.482 -5.686 1.00 0.00 O ATOM 0 H GLY A 48 -9.311 -6.213 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.773 -5.844 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.343 -5.881 -5.386 1.00 0.00 H new ATOM 731 N ARG A 49 -8.451 -3.187 -4.038 1.00 0.00 N ATOM 732 CA ARG A 49 -8.416 -1.742 -4.074 1.00 0.00 C ATOM 733 C ARG A 49 -7.043 -1.278 -3.669 1.00 0.00 C ATOM 734 O ARG A 49 -6.459 -0.432 -4.313 1.00 0.00 O ATOM 735 CB ARG A 49 -9.414 -1.162 -3.095 1.00 0.00 C ATOM 736 CG ARG A 49 -10.850 -1.558 -3.329 1.00 0.00 C ATOM 737 CD ARG A 49 -11.366 -1.074 -4.672 1.00 0.00 C ATOM 738 NE ARG A 49 -11.111 0.362 -4.904 1.00 0.00 N ATOM 739 CZ ARG A 49 -11.409 1.012 -6.033 1.00 0.00 C ATOM 740 NH1 ARG A 49 -12.206 0.453 -6.936 1.00 0.00 N ATOM 741 NH2 ARG A 49 -10.961 2.242 -6.227 1.00 0.00 N ATOM 0 H ARG A 49 -9.110 -3.568 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.661 -1.412 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.130 -1.467 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.344 -0.075 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.939 -2.643 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.472 -1.149 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.896 -1.654 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.438 -1.261 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.677 0.895 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.593 -0.476 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.431 0.952 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.388 2.694 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.189 2.738 -7.089 1.00 0.00 H new ATOM 755 N ASP A 50 -6.527 -1.908 -2.620 1.00 0.00 N ATOM 756 CA ASP A 50 -5.220 -1.600 -2.065 1.00 0.00 C ATOM 757 C ASP A 50 -4.153 -2.007 -3.023 1.00 0.00 C ATOM 758 O ASP A 50 -3.157 -1.342 -3.151 1.00 0.00 O ATOM 759 CB ASP A 50 -4.983 -2.344 -0.783 1.00 0.00 C ATOM 760 CG ASP A 50 -6.032 -2.144 0.236 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.223 -1.032 0.715 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.737 -3.087 0.601 1.00 0.00 O ATOM 0 H ASP A 50 -7.013 -2.657 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.192 -0.526 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.904 -3.409 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.025 -2.033 -0.367 1.00 0.00 H new ATOM 767 N LEU A 51 -4.385 -3.118 -3.700 1.00 0.00 N ATOM 768 CA LEU A 51 -3.482 -3.609 -4.738 1.00 0.00 C ATOM 769 C LEU A 51 -3.362 -2.568 -5.835 1.00 0.00 C ATOM 770 O LEU A 51 -2.267 -2.230 -6.262 1.00 0.00 O ATOM 771 CB LEU A 51 -3.987 -4.959 -5.292 1.00 0.00 C ATOM 772 CG LEU A 51 -3.313 -5.524 -6.570 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.808 -5.703 -6.405 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.944 -6.856 -6.920 1.00 0.00 C ATOM 0 H LEU A 51 -5.203 -3.708 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.492 -3.778 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.881 -5.703 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.053 -4.858 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.469 -4.801 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.386 -6.101 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.349 -4.740 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.612 -6.397 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.473 -7.257 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.803 -7.553 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.010 -6.717 -7.100 1.00 0.00 H new ATOM 786 N MET A 52 -4.490 -2.024 -6.238 1.00 0.00 N ATOM 787 CA MET A 52 -4.521 -0.983 -7.248 1.00 0.00 C ATOM 788 C MET A 52 -3.877 0.307 -6.744 1.00 0.00 C ATOM 789 O MET A 52 -3.253 1.041 -7.517 1.00 0.00 O ATOM 790 CB MET A 52 -5.934 -0.738 -7.748 1.00 0.00 C ATOM 791 CG MET A 52 -6.521 -1.922 -8.493 1.00 0.00 C ATOM 792 SD MET A 52 -8.119 -1.567 -9.257 1.00 0.00 S ATOM 793 CE MET A 52 -9.141 -1.276 -7.819 1.00 0.00 C ATOM 0 H MET A 52 -5.408 -2.287 -5.879 1.00 0.00 H new ATOM 0 HA MET A 52 -3.929 -1.333 -8.094 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.575 -0.497 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.934 0.132 -8.405 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.820 -2.240 -9.265 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.634 -2.757 -7.802 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.175 -1.132 -8.131 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.080 -2.134 -7.149 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.792 -0.384 -7.299 1.00 0.00 H new ATOM 803 N GLU A 53 -4.008 0.560 -5.448 1.00 0.00 N ATOM 804 CA GLU A 53 -3.360 1.693 -4.794 1.00 0.00 C ATOM 805 C GLU A 53 -1.857 1.502 -4.771 1.00 0.00 C ATOM 806 O GLU A 53 -1.115 2.437 -4.942 1.00 0.00 O ATOM 807 CB GLU A 53 -3.834 1.860 -3.361 1.00 0.00 C ATOM 808 CG GLU A 53 -5.275 2.258 -3.199 1.00 0.00 C ATOM 809 CD GLU A 53 -5.593 3.574 -3.855 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.067 4.617 -3.426 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.377 3.598 -4.815 1.00 0.00 O ATOM 0 H GLU A 53 -4.567 -0.015 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.625 2.582 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.673 0.921 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.211 2.611 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.912 1.482 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.513 2.319 -2.137 1.00 0.00 H new ATOM 818 N LEU A 54 -1.428 0.288 -4.537 1.00 0.00 N ATOM 819 CA LEU A 54 -0.026 -0.050 -4.521 1.00 0.00 C ATOM 820 C LEU A 54 0.585 0.146 -5.900 1.00 0.00 C ATOM 821 O LEU A 54 1.658 0.712 -6.031 1.00 0.00 O ATOM 822 CB LEU A 54 0.149 -1.475 -4.053 1.00 0.00 C ATOM 823 CG LEU A 54 1.566 -1.927 -3.754 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.246 -0.976 -2.777 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.528 -3.312 -3.177 1.00 0.00 C ATOM 0 H LEU A 54 -2.047 -0.501 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 54 0.492 0.612 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.449 -1.613 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.265 -2.136 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 54 2.140 -1.926 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.260 -1.322 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.282 0.024 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.683 -0.949 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.543 -3.644 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.943 -3.307 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.070 -3.993 -3.895 1.00 0.00 H new ATOM 837 N ILE A 55 -0.129 -0.307 -6.917 1.00 0.00 N ATOM 838 CA ILE A 55 0.265 -0.104 -8.322 1.00 0.00 C ATOM 839 C ILE A 55 0.360 1.401 -8.600 1.00 0.00 C ATOM 840 O ILE A 55 1.285 1.845 -9.246 1.00 0.00 O ATOM 841 CB ILE A 55 -0.753 -0.790 -9.288 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.825 -2.304 -8.984 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.367 -0.553 -10.752 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.927 -3.059 -9.720 1.00 0.00 C ATOM 0 H ILE A 55 -0.999 -0.827 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 55 1.238 -0.563 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.736 -0.348 -9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.134 -2.756 -9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.968 -2.437 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.092 -1.041 -11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.358 0.517 -10.957 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.624 -0.966 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.896 -4.112 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.897 -2.641 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.777 -2.964 -10.795 1.00 0.00 H new ATOM 856 N LYS A 56 -0.578 2.161 -8.057 1.00 0.00 N ATOM 857 CA LYS A 56 -0.556 3.629 -8.098 1.00 0.00 C ATOM 858 C LYS A 56 0.745 4.155 -7.475 1.00 0.00 C ATOM 859 O LYS A 56 1.502 4.866 -8.128 1.00 0.00 O ATOM 860 CB LYS A 56 -1.768 4.155 -7.317 1.00 0.00 C ATOM 861 CG LYS A 56 -1.735 5.635 -6.918 1.00 0.00 C ATOM 862 CD LYS A 56 -2.921 5.996 -6.027 1.00 0.00 C ATOM 863 CE LYS A 56 -4.268 5.809 -6.721 1.00 0.00 C ATOM 864 NZ LYS A 56 -5.397 6.115 -5.818 1.00 0.00 N ATOM 0 H LYS A 56 -1.388 1.779 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.603 3.973 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.661 3.983 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.874 3.559 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.804 5.852 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.748 6.256 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.893 5.380 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.825 7.033 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.318 6.455 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.355 4.782 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.248 5.614 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.163 5.807 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.576 7.139 -5.821 1.00 0.00 H new ATOM 878 N LYS A 57 1.000 3.742 -6.235 1.00 0.00 N ATOM 879 CA LYS A 57 2.165 4.154 -5.455 1.00 0.00 C ATOM 880 C LYS A 57 3.472 3.865 -6.168 1.00 0.00 C ATOM 881 O LYS A 57 4.301 4.759 -6.360 1.00 0.00 O ATOM 882 CB LYS A 57 2.173 3.459 -4.083 1.00 0.00 C ATOM 883 CG LYS A 57 1.006 3.797 -3.154 1.00 0.00 C ATOM 884 CD LYS A 57 0.865 5.294 -2.919 1.00 0.00 C ATOM 885 CE LYS A 57 2.124 5.876 -2.283 1.00 0.00 C ATOM 886 NZ LYS A 57 2.039 7.333 -2.092 1.00 0.00 N ATOM 0 H LYS A 57 0.389 3.097 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 57 2.084 5.233 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.183 2.381 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.102 3.714 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.081 3.411 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.149 3.294 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.668 5.796 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.008 5.484 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.295 5.396 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.984 5.645 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.919 7.678 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.903 7.797 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.235 7.555 -1.471 1.00 0.00 H new ATOM 900 N VAL A 58 3.637 2.637 -6.574 1.00 0.00 N ATOM 901 CA VAL A 58 4.849 2.190 -7.211 1.00 0.00 C ATOM 902 C VAL A 58 5.022 2.795 -8.599 1.00 0.00 C ATOM 903 O VAL A 58 6.149 3.109 -9.001 1.00 0.00 O ATOM 904 CB VAL A 58 4.894 0.656 -7.246 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.172 0.129 -7.898 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.772 0.141 -5.831 1.00 0.00 C ATOM 0 H VAL A 58 2.929 1.910 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 58 5.693 2.543 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 58 4.064 0.298 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.157 -0.961 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.233 0.492 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.038 0.479 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.802 -0.949 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.598 0.524 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.827 0.476 -5.402 1.00 0.00 H new