USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 82 THR OG1 : rot -90:sc= 0.649 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.57 X(o=1.2,f=1.3) USER MOD Set 2.1: A 68 ASN :FLIP amide:sc= 0 X(o=-0.83,f=-0.64) USER MOD Set 2.2: A 70 ASN :FLIP amide:sc= -0.637 F(o=-1.3,f=-0.64) USER MOD Set 3.1: A 36 SER OG : rot 19:sc= 0.477 USER MOD Set 3.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0028 USER MOD Single : A 11 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.8!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.583 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= -5.35! (180deg=-8.82!) USER MOD Single : A 25 GLN : amide:sc= -1.84 K(o=-1.8,f=-6.8!) USER MOD Single : A 39 SER OG : rot -28:sc= -3.86! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.091) USER MOD Single : A 49 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.0074) USER MOD Single : A 50 GLN : amide:sc= -0.767 K(o=-0.77,f=-2.9) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.45) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -156:sc= -0.821! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 65 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.95 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 71:sc= 0.41 USER MOD Single : A 89 SER OG : rot 39:sc= -0.806 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.742 3.623 3.668 1.00 0.00 N ATOM 44 CA LEU A 3 -15.522 3.379 2.895 1.00 0.00 C ATOM 45 C LEU A 3 -14.336 4.163 3.465 1.00 0.00 C ATOM 46 O LEU A 3 -14.164 5.346 3.158 1.00 0.00 O ATOM 47 CB LEU A 3 -15.741 3.750 1.419 1.00 0.00 C ATOM 48 CG LEU A 3 -15.126 2.773 0.411 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.060 1.597 0.169 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.810 3.478 -0.900 1.00 0.00 C ATOM 0 HA LEU A 3 -15.290 2.316 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.813 3.817 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.324 4.742 1.243 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.194 2.395 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.607 0.914 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.235 1.072 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.009 1.961 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.374 2.765 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.727 3.888 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.102 4.286 -0.717 1.00 0.00 H new ATOM 62 N GLN A 4 -13.520 3.497 4.288 1.00 0.00 N ATOM 63 CA GLN A 4 -12.346 4.124 4.897 1.00 0.00 C ATOM 64 C GLN A 4 -11.123 3.217 4.765 1.00 0.00 C ATOM 65 O GLN A 4 -11.263 2.006 4.598 1.00 0.00 O ATOM 66 CB GLN A 4 -12.616 4.420 6.371 1.00 0.00 C ATOM 67 CG GLN A 4 -11.538 5.260 7.031 1.00 0.00 C ATOM 68 CD GLN A 4 -11.959 5.782 8.394 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.319 6.949 8.535 1.00 0.00 O ATOM 70 NE2 GLN A 4 -11.916 4.917 9.406 1.00 0.00 N ATOM 0 H GLN A 4 -13.653 2.520 4.548 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.144 5.059 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.572 4.936 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.711 3.478 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.632 4.663 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.291 6.102 6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.611 3.957 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.188 5.214 10.343 1.00 0.00 H new ATOM 79 N VAL A 5 -9.927 3.810 4.845 1.00 0.00 N ATOM 80 CA VAL A 5 -8.678 3.044 4.738 1.00 0.00 C ATOM 81 C VAL A 5 -7.558 3.738 5.514 1.00 0.00 C ATOM 82 O VAL A 5 -7.605 4.952 5.718 1.00 0.00 O ATOM 83 CB VAL A 5 -8.208 2.826 3.260 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.456 1.513 3.131 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.361 2.846 2.263 1.00 0.00 C ATOM 0 H VAL A 5 -9.796 4.812 4.983 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.892 2.064 5.164 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.550 3.661 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.136 1.377 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.582 1.529 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.109 0.690 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.974 2.690 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.067 2.052 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.867 3.810 2.312 1.00 0.00 H new ATOM 95 N ASP A 6 -6.552 2.962 5.939 1.00 0.00 N ATOM 96 CA ASP A 6 -5.420 3.508 6.691 1.00 0.00 C ATOM 97 C ASP A 6 -4.217 2.564 6.626 1.00 0.00 C ATOM 98 O ASP A 6 -4.351 1.368 6.879 1.00 0.00 O ATOM 99 CB ASP A 6 -5.818 3.747 8.150 1.00 0.00 C ATOM 100 CG ASP A 6 -6.585 5.041 8.340 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.944 6.112 8.372 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.827 4.983 8.455 1.00 0.00 O ATOM 0 H ASP A 6 -6.501 1.957 5.774 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.138 4.459 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.428 2.913 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.921 3.766 8.769 1.00 0.00 H new ATOM 107 N ILE A 7 -3.043 3.112 6.287 1.00 0.00 N ATOM 108 CA ILE A 7 -1.810 2.319 6.188 1.00 0.00 C ATOM 109 C ILE A 7 -1.001 2.414 7.486 1.00 0.00 C ATOM 110 O ILE A 7 -0.942 3.474 8.112 1.00 0.00 O ATOM 111 CB ILE A 7 -0.921 2.775 4.997 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.751 2.909 3.715 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.234 1.800 4.770 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.996 3.556 2.574 1.00 0.00 C ATOM 0 H ILE A 7 -2.921 4.102 6.076 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.111 1.285 6.017 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.507 3.751 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.087 1.920 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.644 3.496 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.840 2.143 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.851 1.751 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.164 0.810 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.643 3.619 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.683 4.558 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.117 2.957 2.333 1.00 0.00 H new ATOM 126 N VAL A 8 -0.376 1.296 7.879 1.00 0.00 N ATOM 127 CA VAL A 8 0.438 1.236 9.094 1.00 0.00 C ATOM 128 C VAL A 8 1.836 0.683 8.748 1.00 0.00 C ATOM 129 O VAL A 8 1.928 -0.367 8.110 1.00 0.00 O ATOM 130 CB VAL A 8 -0.214 0.328 10.174 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.535 0.426 11.497 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.685 0.679 10.377 1.00 0.00 C ATOM 0 H VAL A 8 -0.421 0.416 7.366 1.00 0.00 H new ATOM 0 HA VAL A 8 0.516 2.246 9.497 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.152 -0.699 9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.057 -0.219 12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.569 0.111 11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.516 1.457 11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.113 0.027 11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.770 1.717 10.699 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.224 0.544 9.439 1.00 0.00 H new ATOM 142 N PRO A 9 2.955 1.356 9.144 1.00 0.00 N ATOM 143 CA PRO A 9 2.962 2.618 9.909 1.00 0.00 C ATOM 144 C PRO A 9 2.740 3.839 9.016 1.00 0.00 C ATOM 145 O PRO A 9 2.526 3.702 7.810 1.00 0.00 O ATOM 146 CB PRO A 9 4.370 2.641 10.498 1.00 0.00 C ATOM 147 CG PRO A 9 5.201 1.981 9.454 1.00 0.00 C ATOM 148 CD PRO A 9 4.333 0.903 8.858 1.00 0.00 C ATOM 0 HA PRO A 9 2.163 2.661 10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.706 3.660 10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.416 2.104 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.514 2.696 8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.108 1.558 9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.505 0.799 7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.536 -0.068 9.309 1.00 0.00 H new ATOM 156 N SER A 10 2.811 5.032 9.619 1.00 0.00 N ATOM 157 CA SER A 10 2.635 6.283 8.880 1.00 0.00 C ATOM 158 C SER A 10 3.895 6.601 8.076 1.00 0.00 C ATOM 159 O SER A 10 3.816 7.041 6.924 1.00 0.00 O ATOM 160 CB SER A 10 2.326 7.433 9.841 1.00 0.00 C ATOM 161 OG SER A 10 3.284 7.496 10.884 1.00 0.00 O ATOM 0 H SER A 10 2.989 5.155 10.616 1.00 0.00 H new ATOM 0 HA SER A 10 1.796 6.165 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.316 8.376 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.330 7.300 10.265 1.00 0.00 H new ATOM 0 HG SER A 10 3.066 8.240 11.484 1.00 0.00 H new ATOM 167 N GLN A 11 5.061 6.362 8.693 1.00 0.00 N ATOM 168 CA GLN A 11 6.354 6.602 8.051 1.00 0.00 C ATOM 169 C GLN A 11 7.207 5.338 8.105 1.00 0.00 C ATOM 170 O GLN A 11 7.418 4.776 9.184 1.00 0.00 O ATOM 171 CB GLN A 11 7.084 7.767 8.727 1.00 0.00 C ATOM 172 CG GLN A 11 7.295 7.584 10.231 1.00 0.00 C ATOM 173 CD GLN A 11 7.041 8.853 11.037 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.927 9.946 10.481 1.00 0.00 O ATOM 175 NE2 GLN A 11 6.950 8.714 12.359 1.00 0.00 N ATOM 0 H GLN A 11 5.131 6.000 9.644 1.00 0.00 H new ATOM 0 HA GLN A 11 6.181 6.866 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.054 7.900 8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.517 8.683 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.633 6.796 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.317 7.248 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.050 7.792 12.783 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.780 9.530 12.947 1.00 0.00 H new ATOM 184 N GLY A 12 7.669 4.877 6.933 1.00 0.00 N ATOM 185 CA GLY A 12 8.467 3.652 6.863 1.00 0.00 C ATOM 186 C GLY A 12 9.947 3.882 6.610 1.00 0.00 C ATOM 187 O GLY A 12 10.439 3.578 5.523 1.00 0.00 O ATOM 0 H GLY A 12 7.505 5.330 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.351 3.103 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.069 3.018 6.070 1.00 0.00 H new ATOM 191 N GLU A 13 10.663 4.382 7.622 1.00 0.00 N ATOM 192 CA GLU A 13 12.103 4.609 7.499 1.00 0.00 C ATOM 193 C GLU A 13 12.848 3.280 7.618 1.00 0.00 C ATOM 194 O GLU A 13 12.843 2.654 8.680 1.00 0.00 O ATOM 195 CB GLU A 13 12.587 5.585 8.571 1.00 0.00 C ATOM 196 CG GLU A 13 12.262 7.037 8.270 1.00 0.00 C ATOM 197 CD GLU A 13 12.310 7.910 9.508 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.282 7.788 10.282 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.373 8.714 9.707 1.00 0.00 O ATOM 0 H GLU A 13 10.271 4.635 8.529 1.00 0.00 H new ATOM 0 HA GLU A 13 12.307 5.046 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.138 5.313 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.666 5.480 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.968 7.419 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.270 7.099 7.824 1.00 0.00 H new ATOM 206 N ILE A 14 13.469 2.843 6.516 1.00 0.00 N ATOM 207 CA ILE A 14 14.205 1.574 6.477 1.00 0.00 C ATOM 208 C ILE A 14 15.548 1.774 5.752 1.00 0.00 C ATOM 209 O ILE A 14 15.746 2.778 5.073 1.00 0.00 O ATOM 210 CB ILE A 14 13.317 0.475 5.780 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.205 0.018 6.741 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.108 -0.747 5.280 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.943 0.848 6.653 1.00 0.00 C ATOM 0 H ILE A 14 13.476 3.354 5.633 1.00 0.00 H new ATOM 0 HA ILE A 14 14.425 1.235 7.489 1.00 0.00 H new ATOM 0 HB ILE A 14 12.892 0.945 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.960 -1.023 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.583 0.055 7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.425 -1.456 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.852 -0.426 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.609 -1.226 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.206 0.466 7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.173 1.886 6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.540 0.791 5.642 1.00 0.00 H new ATOM 225 N SER A 15 16.465 0.812 5.901 1.00 0.00 N ATOM 226 CA SER A 15 17.773 0.879 5.248 1.00 0.00 C ATOM 227 C SER A 15 17.768 0.033 3.973 1.00 0.00 C ATOM 228 O SER A 15 16.995 -0.929 3.854 1.00 0.00 O ATOM 229 CB SER A 15 18.890 0.412 6.194 1.00 0.00 C ATOM 230 OG SER A 15 18.385 -0.401 7.238 1.00 0.00 O ATOM 0 H SER A 15 16.323 -0.023 6.470 1.00 0.00 H new ATOM 0 HA SER A 15 17.969 1.918 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.637 -0.144 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.393 1.280 6.620 1.00 0.00 H new ATOM 0 HG SER A 15 19.122 -0.682 7.820 1.00 0.00 H new ATOM 236 N VAL A 16 18.649 0.385 3.026 1.00 0.00 N ATOM 237 CA VAL A 16 18.752 -0.351 1.761 1.00 0.00 C ATOM 238 C VAL A 16 19.188 -1.793 2.026 1.00 0.00 C ATOM 239 O VAL A 16 19.995 -2.049 2.925 1.00 0.00 O ATOM 240 CB VAL A 16 19.731 0.336 0.771 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.765 -0.381 -0.577 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.348 1.796 0.574 1.00 0.00 C ATOM 0 H VAL A 16 19.296 1.169 3.112 1.00 0.00 H new ATOM 0 HA VAL A 16 17.766 -0.353 1.297 1.00 0.00 H new ATOM 0 HB VAL A 16 20.729 0.281 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.461 0.129 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.090 -1.412 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.769 -0.373 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.044 2.264 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.337 1.856 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.389 2.315 1.531 1.00 0.00 H new ATOM 252 N GLY A 17 18.610 -2.725 1.265 1.00 0.00 N ATOM 253 CA GLY A 17 18.903 -4.135 1.453 1.00 0.00 C ATOM 254 C GLY A 17 17.960 -4.799 2.458 1.00 0.00 C ATOM 255 O GLY A 17 17.945 -6.026 2.568 1.00 0.00 O ATOM 0 H GLY A 17 17.942 -2.525 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.829 -4.649 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.932 -4.247 1.796 1.00 0.00 H new ATOM 259 N GLU A 18 17.164 -3.990 3.191 1.00 0.00 N ATOM 260 CA GLU A 18 16.218 -4.510 4.174 1.00 0.00 C ATOM 261 C GLU A 18 14.815 -4.487 3.584 1.00 0.00 C ATOM 262 O GLU A 18 14.527 -3.672 2.704 1.00 0.00 O ATOM 263 CB GLU A 18 16.247 -3.669 5.464 1.00 0.00 C ATOM 264 CG GLU A 18 17.641 -3.232 5.922 1.00 0.00 C ATOM 265 CD GLU A 18 17.992 -3.702 7.323 1.00 0.00 C ATOM 266 OE1 GLU A 18 17.078 -3.777 8.170 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.181 -3.994 7.571 1.00 0.00 O ATOM 0 H GLU A 18 17.166 -2.973 3.112 1.00 0.00 H new ATOM 0 HA GLU A 18 16.502 -5.532 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.635 -2.779 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.782 -4.244 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.382 -3.617 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.703 -2.144 5.886 1.00 0.00 H new ATOM 274 N SER A 19 13.943 -5.380 4.062 1.00 0.00 N ATOM 275 CA SER A 19 12.569 -5.448 3.563 1.00 0.00 C ATOM 276 C SER A 19 11.637 -4.567 4.397 1.00 0.00 C ATOM 277 O SER A 19 11.949 -4.234 5.542 1.00 0.00 O ATOM 278 CB SER A 19 12.082 -6.895 3.525 1.00 0.00 C ATOM 279 OG SER A 19 12.116 -7.487 4.811 1.00 0.00 O ATOM 0 H SER A 19 14.163 -6.061 4.789 1.00 0.00 H new ATOM 0 HA SER A 19 12.556 -5.063 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.065 -6.928 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.704 -7.472 2.841 1.00 0.00 H new ATOM 0 HG SER A 19 11.797 -8.412 4.754 1.00 0.00 H new ATOM 285 N LYS A 20 10.514 -4.157 3.794 1.00 0.00 N ATOM 286 CA LYS A 20 9.553 -3.266 4.459 1.00 0.00 C ATOM 287 C LYS A 20 8.129 -3.484 3.942 1.00 0.00 C ATOM 288 O LYS A 20 7.859 -3.236 2.766 1.00 0.00 O ATOM 289 CB LYS A 20 9.953 -1.806 4.188 1.00 0.00 C ATOM 290 CG LYS A 20 10.120 -1.498 2.696 1.00 0.00 C ATOM 291 CD LYS A 20 11.280 -0.552 2.399 1.00 0.00 C ATOM 292 CE LYS A 20 10.820 0.890 2.249 1.00 0.00 C ATOM 293 NZ LYS A 20 10.411 1.242 0.840 1.00 0.00 N ATOM 0 H LYS A 20 10.248 -4.428 2.847 1.00 0.00 H new ATOM 0 HA LYS A 20 9.571 -3.488 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.196 -1.144 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.888 -1.589 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.274 -2.432 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.197 -1.059 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.014 -0.616 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.780 -0.869 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.979 1.067 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.624 1.555 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.719 2.211 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.855 0.578 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.376 1.180 0.753 1.00 0.00 H new ATOM 307 N PHE A 21 7.210 -3.915 4.824 1.00 0.00 N ATOM 308 CA PHE A 21 5.807 -4.124 4.429 1.00 0.00 C ATOM 309 C PHE A 21 4.887 -3.116 5.113 1.00 0.00 C ATOM 310 O PHE A 21 5.115 -2.737 6.263 1.00 0.00 O ATOM 311 CB PHE A 21 5.340 -5.556 4.706 1.00 0.00 C ATOM 312 CG PHE A 21 5.328 -5.957 6.149 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.273 -5.603 6.976 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.369 -6.699 6.671 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.259 -5.983 8.303 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.366 -7.082 7.998 1.00 0.00 C ATOM 317 CZ PHE A 21 5.309 -6.723 8.816 1.00 0.00 C ATOM 0 H PHE A 21 7.410 -4.123 5.802 1.00 0.00 H new ATOM 0 HA PHE A 21 5.753 -3.965 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.334 -5.677 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.986 -6.243 4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.453 -5.024 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.194 -6.983 6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.431 -5.704 8.938 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.187 -7.660 8.396 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.304 -7.020 9.854 1.00 0.00 H new ATOM 327 N PHE A 22 3.849 -2.679 4.387 1.00 0.00 N ATOM 328 CA PHE A 22 2.888 -1.696 4.916 1.00 0.00 C ATOM 329 C PHE A 22 1.458 -2.237 4.876 1.00 0.00 C ATOM 330 O PHE A 22 0.937 -2.568 3.816 1.00 0.00 O ATOM 331 CB PHE A 22 3.018 -0.392 4.137 1.00 0.00 C ATOM 332 CG PHE A 22 4.398 0.187 4.245 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.407 -0.229 3.390 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.693 1.122 5.220 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.686 0.279 3.509 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.968 1.638 5.343 1.00 0.00 C ATOM 337 CZ PHE A 22 6.968 1.214 4.484 1.00 0.00 C ATOM 0 H PHE A 22 3.652 -2.988 3.435 1.00 0.00 H new ATOM 0 HA PHE A 22 3.119 -1.502 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.780 -0.570 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.291 0.329 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.191 -0.958 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.917 1.453 5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.465 -0.055 2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.185 2.370 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.967 1.614 4.577 1.00 0.00 H new ATOM 347 N LEU A 23 0.849 -2.363 6.057 1.00 0.00 N ATOM 348 CA LEU A 23 -0.500 -2.921 6.185 1.00 0.00 C ATOM 349 C LEU A 23 -1.620 -1.930 5.839 1.00 0.00 C ATOM 350 O LEU A 23 -1.849 -0.965 6.561 1.00 0.00 O ATOM 351 CB LEU A 23 -0.693 -3.442 7.613 1.00 0.00 C ATOM 352 CG LEU A 23 -1.751 -4.527 7.778 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.428 -5.727 6.898 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.857 -4.950 9.235 1.00 0.00 C ATOM 0 H LEU A 23 1.271 -2.085 6.943 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.576 -3.728 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.260 -3.831 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.956 -2.602 8.255 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.712 -4.120 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.194 -6.491 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.401 -5.416 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.457 -6.134 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.617 -5.725 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.896 -5.339 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.134 -4.090 9.844 1.00 0.00 H new ATOM 366 N CYS A 24 -2.350 -2.215 4.749 1.00 0.00 N ATOM 367 CA CYS A 24 -3.480 -1.376 4.325 1.00 0.00 C ATOM 368 C CYS A 24 -4.787 -1.976 4.850 1.00 0.00 C ATOM 369 O CYS A 24 -5.346 -2.896 4.242 1.00 0.00 O ATOM 370 CB CYS A 24 -3.506 -1.234 2.783 1.00 0.00 C ATOM 371 SG CYS A 24 -4.984 -0.411 2.064 1.00 0.00 S ATOM 0 H CYS A 24 -2.177 -3.020 4.146 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.363 -0.376 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.621 -0.676 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.423 -2.229 2.347 1.00 0.00 H new ATOM 376 N GLN A 25 -5.263 -1.442 5.981 1.00 0.00 N ATOM 377 CA GLN A 25 -6.503 -1.906 6.598 1.00 0.00 C ATOM 378 C GLN A 25 -7.679 -1.073 6.104 1.00 0.00 C ATOM 379 O GLN A 25 -7.485 0.012 5.550 1.00 0.00 O ATOM 380 CB GLN A 25 -6.412 -1.822 8.125 1.00 0.00 C ATOM 381 CG GLN A 25 -5.410 -2.798 8.739 1.00 0.00 C ATOM 382 CD GLN A 25 -4.133 -2.127 9.212 1.00 0.00 C ATOM 383 OE1 GLN A 25 -3.546 -1.316 8.497 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.695 -2.460 10.425 1.00 0.00 N ATOM 0 H GLN A 25 -4.803 -0.685 6.487 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.657 -2.947 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.135 -0.806 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.398 -2.013 8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.878 -3.307 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.160 -3.562 8.003 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.212 -3.137 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.843 -2.038 10.793 1.00 0.00 H new ATOM 393 N VAL A 26 -8.900 -1.588 6.294 1.00 0.00 N ATOM 394 CA VAL A 26 -10.110 -0.897 5.851 1.00 0.00 C ATOM 395 C VAL A 26 -11.048 -0.570 7.019 1.00 0.00 C ATOM 396 O VAL A 26 -10.803 -0.975 8.158 1.00 0.00 O ATOM 397 CB VAL A 26 -10.862 -1.742 4.794 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.984 -1.943 3.568 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.295 -3.094 5.357 1.00 0.00 C ATOM 0 H VAL A 26 -9.073 -2.483 6.753 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.794 0.045 5.404 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.762 -1.197 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.521 -2.538 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.732 -0.974 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.069 -2.461 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.819 -3.658 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.416 -3.652 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.959 -2.938 6.207 1.00 0.00 H new ATOM 409 N ALA A 27 -12.126 0.156 6.712 1.00 0.00 N ATOM 410 CA ALA A 27 -13.122 0.540 7.708 1.00 0.00 C ATOM 411 C ALA A 27 -14.410 1.006 7.020 1.00 0.00 C ATOM 412 O ALA A 27 -14.499 2.149 6.562 1.00 0.00 O ATOM 413 CB ALA A 27 -12.561 1.618 8.636 1.00 0.00 C ATOM 0 H ALA A 27 -12.330 0.491 5.770 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.365 -0.329 8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.316 1.893 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.678 1.234 9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.288 2.496 8.051 1.00 0.00 H new ATOM 504 N ASP A 34 -12.470 -3.036 -3.309 1.00 0.00 N ATOM 505 CA ASP A 34 -11.316 -3.507 -4.081 1.00 0.00 C ATOM 506 C ASP A 34 -10.053 -2.721 -3.731 1.00 0.00 C ATOM 507 O ASP A 34 -9.951 -1.542 -4.067 1.00 0.00 O ATOM 508 CB ASP A 34 -11.602 -3.377 -5.579 1.00 0.00 C ATOM 509 CG ASP A 34 -10.752 -4.313 -6.415 1.00 0.00 C ATOM 510 OD1 ASP A 34 -11.187 -5.462 -6.645 1.00 0.00 O ATOM 511 OD2 ASP A 34 -9.654 -3.898 -6.839 1.00 0.00 O ATOM 0 HA ASP A 34 -11.148 -4.554 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.656 -3.585 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.421 -2.349 -5.892 1.00 0.00 H new ATOM 516 N ILE A 35 -9.097 -3.386 -3.065 1.00 0.00 N ATOM 517 CA ILE A 35 -7.833 -2.753 -2.666 1.00 0.00 C ATOM 518 C ILE A 35 -6.901 -2.549 -3.876 1.00 0.00 C ATOM 519 O ILE A 35 -7.018 -3.237 -4.891 1.00 0.00 O ATOM 520 CB ILE A 35 -7.096 -3.589 -1.568 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.008 -3.814 -0.350 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.794 -2.912 -1.121 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.868 -5.060 -0.435 1.00 0.00 C ATOM 0 H ILE A 35 -9.177 -4.365 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.085 -1.778 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.846 -4.553 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.390 -3.874 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.657 -2.946 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.310 -3.522 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.127 -2.805 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.018 -1.928 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.479 -5.142 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.515 -4.996 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.228 -5.938 -0.520 1.00 0.00 H new ATOM 535 N SER A 36 -5.971 -1.596 -3.736 1.00 0.00 N ATOM 536 CA SER A 36 -4.995 -1.276 -4.774 1.00 0.00 C ATOM 537 C SER A 36 -3.758 -0.636 -4.139 1.00 0.00 C ATOM 538 O SER A 36 -3.821 -0.175 -2.998 1.00 0.00 O ATOM 539 CB SER A 36 -5.606 -0.326 -5.806 1.00 0.00 C ATOM 540 OG SER A 36 -6.452 -1.023 -6.705 1.00 0.00 O ATOM 0 H SER A 36 -5.878 -1.026 -2.895 1.00 0.00 H new ATOM 0 HA SER A 36 -4.704 -2.196 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.174 0.452 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.811 0.172 -6.362 1.00 0.00 H new ATOM 0 HG SER A 36 -6.709 -1.883 -6.312 1.00 0.00 H new ATOM 546 N TRP A 37 -2.639 -0.610 -4.872 1.00 0.00 N ATOM 547 CA TRP A 37 -1.391 -0.024 -4.364 1.00 0.00 C ATOM 548 C TRP A 37 -0.674 0.762 -5.456 1.00 0.00 C ATOM 549 O TRP A 37 -0.419 0.231 -6.538 1.00 0.00 O ATOM 550 CB TRP A 37 -0.463 -1.121 -3.824 1.00 0.00 C ATOM 551 CG TRP A 37 -0.759 -1.506 -2.406 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.539 -2.547 -1.988 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.285 -0.854 -1.217 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.577 -2.587 -0.617 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.819 -1.558 -0.120 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.538 0.253 -0.970 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.555 -1.191 1.198 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.793 0.618 0.342 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.249 -0.101 1.408 1.00 0.00 C ATOM 0 H TRP A 37 -2.571 -0.987 -5.817 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.648 0.658 -3.554 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.549 -2.004 -4.458 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.570 -0.779 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.051 -3.238 -2.642 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.087 -3.271 -0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.966 0.812 -1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.970 -1.747 2.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.423 1.472 0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.466 0.208 2.420 1.00 0.00 H new ATOM 570 N PHE A 38 -0.346 2.032 -5.167 1.00 0.00 N ATOM 571 CA PHE A 38 0.345 2.895 -6.132 1.00 0.00 C ATOM 572 C PHE A 38 1.666 3.420 -5.585 1.00 0.00 C ATOM 573 O PHE A 38 1.683 4.235 -4.660 1.00 0.00 O ATOM 574 CB PHE A 38 -0.549 4.068 -6.536 1.00 0.00 C ATOM 575 CG PHE A 38 -1.858 3.645 -7.135 1.00 0.00 C ATOM 576 CD1 PHE A 38 -1.971 3.419 -8.496 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.975 3.471 -6.335 1.00 0.00 C ATOM 578 CE1 PHE A 38 -3.176 3.027 -9.050 1.00 0.00 C ATOM 579 CE2 PHE A 38 -4.182 3.079 -6.883 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.282 2.856 -8.243 1.00 0.00 C ATOM 0 H PHE A 38 -0.549 2.481 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 38 0.564 2.285 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.743 4.686 -5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.015 4.691 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.108 3.550 -9.132 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.902 3.643 -5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.251 2.855 -10.114 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.046 2.947 -6.249 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.224 2.549 -8.673 1.00 0.00 H new ATOM 590 N SER A 39 2.780 2.952 -6.172 1.00 0.00 N ATOM 591 CA SER A 39 4.105 3.378 -5.752 1.00 0.00 C ATOM 592 C SER A 39 4.333 4.872 -6.044 1.00 0.00 C ATOM 593 O SER A 39 3.607 5.465 -6.880 1.00 0.00 O ATOM 594 CB SER A 39 5.204 2.526 -6.407 1.00 0.00 C ATOM 595 OG SER A 39 5.811 1.674 -5.455 1.00 0.00 O ATOM 0 H SER A 39 2.778 2.279 -6.938 1.00 0.00 H new ATOM 0 HA SER A 39 4.163 3.231 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.777 1.931 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.957 3.176 -6.853 1.00 0.00 H new ATOM 0 HG SER A 39 5.758 2.085 -4.567 1.00 0.00 H new ATOM 601 N PRO A 40 5.364 5.472 -5.347 1.00 0.00 N ATOM 602 CA PRO A 40 5.753 6.901 -5.452 1.00 0.00 C ATOM 603 C PRO A 40 6.001 7.420 -6.866 1.00 0.00 C ATOM 604 O PRO A 40 6.019 8.638 -7.072 1.00 0.00 O ATOM 605 CB PRO A 40 7.049 6.986 -4.635 1.00 0.00 C ATOM 606 CG PRO A 40 6.947 5.878 -3.656 1.00 0.00 C ATOM 607 CD PRO A 40 6.245 4.768 -4.378 1.00 0.00 C ATOM 0 HA PRO A 40 4.933 7.525 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.927 6.873 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.140 7.950 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.934 5.563 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.389 6.186 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.952 4.111 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.669 4.147 -3.692 1.00 0.00 H new ATOM 651 N LYS A 44 0.473 2.157 -10.318 1.00 0.00 N ATOM 652 CA LYS A 44 0.093 0.968 -9.560 1.00 0.00 C ATOM 653 C LYS A 44 1.102 -0.162 -9.752 1.00 0.00 C ATOM 654 O LYS A 44 1.395 -0.553 -10.885 1.00 0.00 O ATOM 655 CB LYS A 44 -1.317 0.503 -9.952 1.00 0.00 C ATOM 656 CG LYS A 44 -2.146 0.029 -8.766 1.00 0.00 C ATOM 657 CD LYS A 44 -3.594 -0.214 -9.161 1.00 0.00 C ATOM 658 CE LYS A 44 -3.750 -1.498 -9.958 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.127 -2.051 -9.847 1.00 0.00 N ATOM 0 HA LYS A 44 0.090 1.236 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.838 1.323 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.237 -0.307 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.718 -0.890 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.105 0.773 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.212 -0.264 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.956 0.627 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.518 -1.306 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.032 -2.237 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.195 -2.927 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.339 -2.257 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.810 -1.356 -10.210 1.00 0.00 H new ATOM 673 N LEU A 45 1.620 -0.684 -8.637 1.00 0.00 N ATOM 674 CA LEU A 45 2.592 -1.775 -8.675 1.00 0.00 C ATOM 675 C LEU A 45 1.905 -3.093 -9.026 1.00 0.00 C ATOM 676 O LEU A 45 0.757 -3.322 -8.637 1.00 0.00 O ATOM 677 CB LEU A 45 3.300 -1.909 -7.324 1.00 0.00 C ATOM 678 CG LEU A 45 4.091 -0.675 -6.875 1.00 0.00 C ATOM 679 CD1 LEU A 45 4.174 -0.602 -5.344 1.00 0.00 C ATOM 680 CD2 LEU A 45 5.482 -0.685 -7.505 1.00 0.00 C ATOM 0 H LEU A 45 1.381 -0.367 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 45 3.330 -1.544 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.555 -2.139 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.980 -2.759 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 45 3.566 0.218 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.740 0.282 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.168 -0.543 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.672 -1.494 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.035 0.196 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.015 -1.584 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.390 -0.674 -8.591 1.00 0.00 H new ATOM 692 N SER A 46 2.614 -3.956 -9.761 1.00 0.00 N ATOM 693 CA SER A 46 2.071 -5.252 -10.161 1.00 0.00 C ATOM 694 C SER A 46 2.114 -6.245 -8.991 1.00 0.00 C ATOM 695 O SER A 46 2.846 -6.022 -8.024 1.00 0.00 O ATOM 696 CB SER A 46 2.849 -5.808 -11.359 1.00 0.00 C ATOM 697 OG SER A 46 2.345 -5.289 -12.577 1.00 0.00 O ATOM 0 H SER A 46 3.563 -3.778 -10.089 1.00 0.00 H new ATOM 0 HA SER A 46 1.030 -5.111 -10.453 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.905 -5.555 -11.261 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.782 -6.896 -11.368 1.00 0.00 H new ATOM 0 HG SER A 46 2.858 -5.657 -13.327 1.00 0.00 H new ATOM 703 N PRO A 47 1.333 -7.359 -9.053 1.00 0.00 N ATOM 704 CA PRO A 47 1.309 -8.363 -7.979 1.00 0.00 C ATOM 705 C PRO A 47 2.658 -9.063 -7.804 1.00 0.00 C ATOM 706 O PRO A 47 3.005 -9.479 -6.697 1.00 0.00 O ATOM 707 CB PRO A 47 0.226 -9.365 -8.430 1.00 0.00 C ATOM 708 CG PRO A 47 -0.556 -8.648 -9.476 1.00 0.00 C ATOM 709 CD PRO A 47 0.420 -7.732 -10.154 1.00 0.00 C ATOM 0 HA PRO A 47 1.100 -7.910 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.673 -10.276 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.410 -9.660 -7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.994 -9.349 -10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.379 -8.086 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.948 -8.232 -10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.074 -6.860 -10.584 1.00 0.00 H new ATOM 717 N ASN A 48 3.414 -9.194 -8.902 1.00 0.00 N ATOM 718 CA ASN A 48 4.722 -9.848 -8.870 1.00 0.00 C ATOM 719 C ASN A 48 5.718 -9.133 -9.793 1.00 0.00 C ATOM 720 O ASN A 48 6.043 -9.623 -10.882 1.00 0.00 O ATOM 721 CB ASN A 48 4.581 -11.324 -9.265 1.00 0.00 C ATOM 722 CG ASN A 48 3.802 -12.131 -8.242 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.377 -12.662 -7.290 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.487 -12.233 -8.430 1.00 0.00 N ATOM 0 H ASN A 48 3.139 -8.854 -9.823 1.00 0.00 H new ATOM 0 HA ASN A 48 5.111 -9.792 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.082 -11.391 -10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.573 -11.760 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.918 -12.766 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.050 -11.778 -9.231 1.00 0.00 H new ATOM 731 N GLN A 49 6.207 -7.970 -9.345 1.00 0.00 N ATOM 732 CA GLN A 49 7.175 -7.196 -10.119 1.00 0.00 C ATOM 733 C GLN A 49 8.565 -7.844 -10.013 1.00 0.00 C ATOM 734 O GLN A 49 8.954 -8.617 -10.890 1.00 0.00 O ATOM 735 CB GLN A 49 7.201 -5.732 -9.643 1.00 0.00 C ATOM 736 CG GLN A 49 6.182 -4.837 -10.328 1.00 0.00 C ATOM 737 CD GLN A 49 6.590 -3.370 -10.321 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.532 -2.697 -11.350 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.009 -2.863 -9.159 1.00 0.00 N ATOM 0 H GLN A 49 5.947 -7.549 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 49 6.876 -7.196 -11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.025 -5.708 -8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.198 -5.324 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.048 -5.168 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.218 -4.944 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.043 -3.453 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.295 -1.886 -9.103 1.00 0.00 H new ATOM 748 N GLN A 50 9.296 -7.547 -8.927 1.00 0.00 N ATOM 749 CA GLN A 50 10.624 -8.116 -8.697 1.00 0.00 C ATOM 750 C GLN A 50 10.875 -8.229 -7.193 1.00 0.00 C ATOM 751 O GLN A 50 10.859 -9.324 -6.627 1.00 0.00 O ATOM 752 CB GLN A 50 11.761 -7.289 -9.368 1.00 0.00 C ATOM 753 CG GLN A 50 11.388 -6.549 -10.649 1.00 0.00 C ATOM 754 CD GLN A 50 11.481 -7.427 -11.886 1.00 0.00 C ATOM 755 OE1 GLN A 50 11.338 -8.647 -11.808 1.00 0.00 O ATOM 756 NE2 GLN A 50 11.735 -6.810 -13.041 1.00 0.00 N ATOM 0 H GLN A 50 8.983 -6.912 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 50 10.640 -9.103 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.127 -6.560 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.589 -7.962 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.372 -6.164 -10.558 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.045 -5.688 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.847 -5.796 -13.064 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.817 -7.352 -13.901 1.00 0.00 H new ATOM 765 N ARG A 51 11.099 -7.080 -6.561 1.00 0.00 N ATOM 766 CA ARG A 51 11.349 -6.997 -5.128 1.00 0.00 C ATOM 767 C ARG A 51 10.092 -6.584 -4.363 1.00 0.00 C ATOM 768 O ARG A 51 9.886 -7.013 -3.225 1.00 0.00 O ATOM 769 CB ARG A 51 12.479 -6.007 -4.864 1.00 0.00 C ATOM 770 CG ARG A 51 13.808 -6.454 -5.464 1.00 0.00 C ATOM 771 CD ARG A 51 14.687 -5.276 -5.866 1.00 0.00 C ATOM 772 NE ARG A 51 14.511 -4.921 -7.278 1.00 0.00 N ATOM 773 CZ ARG A 51 15.038 -5.596 -8.310 1.00 0.00 C ATOM 774 NH1 ARG A 51 15.810 -6.667 -8.118 1.00 0.00 N ATOM 775 NH2 ARG A 51 14.790 -5.192 -9.548 1.00 0.00 N ATOM 0 H ARG A 51 11.112 -6.176 -7.033 1.00 0.00 H new ATOM 0 HA ARG A 51 11.639 -7.986 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.208 -5.035 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.597 -5.876 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.341 -7.072 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.618 -7.077 -6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.448 -4.415 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.732 -5.523 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 51 13.945 -4.099 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.010 -6.988 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.200 -7.165 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.203 -4.374 -9.709 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.187 -5.699 -10.339 1.00 0.00 H new ATOM 789 N ILE A 52 9.256 -5.741 -4.991 1.00 0.00 N ATOM 790 CA ILE A 52 8.021 -5.270 -4.356 1.00 0.00 C ATOM 791 C ILE A 52 6.865 -6.235 -4.634 1.00 0.00 C ATOM 792 O ILE A 52 6.301 -6.243 -5.730 1.00 0.00 O ATOM 793 CB ILE A 52 7.625 -3.833 -4.803 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.836 -2.882 -4.686 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.450 -3.325 -3.960 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.547 -1.431 -5.041 1.00 0.00 C ATOM 0 H ILE A 52 9.414 -5.376 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 52 8.220 -5.237 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 52 7.314 -3.860 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.214 -2.923 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.631 -3.248 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.180 -2.319 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.595 -3.989 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.738 -3.306 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.457 -0.841 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.200 -1.371 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.777 -1.040 -4.376 1.00 0.00 H new ATOM 808 N SER A 53 6.522 -7.043 -3.625 1.00 0.00 N ATOM 809 CA SER A 53 5.441 -8.019 -3.732 1.00 0.00 C ATOM 810 C SER A 53 4.233 -7.604 -2.888 1.00 0.00 C ATOM 811 O SER A 53 4.348 -7.435 -1.670 1.00 0.00 O ATOM 812 CB SER A 53 5.939 -9.388 -3.271 1.00 0.00 C ATOM 813 OG SER A 53 5.123 -10.428 -3.779 1.00 0.00 O ATOM 0 H SER A 53 6.986 -7.036 -2.717 1.00 0.00 H new ATOM 0 HA SER A 53 5.129 -8.068 -4.775 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.967 -9.534 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.946 -9.427 -2.182 1.00 0.00 H new ATOM 0 HG SER A 53 5.465 -11.293 -3.470 1.00 0.00 H new ATOM 819 N VAL A 54 3.074 -7.460 -3.539 1.00 0.00 N ATOM 820 CA VAL A 54 1.832 -7.086 -2.852 1.00 0.00 C ATOM 821 C VAL A 54 1.054 -8.352 -2.490 1.00 0.00 C ATOM 822 O VAL A 54 1.307 -9.413 -3.068 1.00 0.00 O ATOM 823 CB VAL A 54 0.933 -6.171 -3.727 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.193 -5.569 -2.899 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.743 -5.063 -4.393 1.00 0.00 C ATOM 0 H VAL A 54 2.970 -7.597 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 54 2.104 -6.529 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 54 0.501 -6.793 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.810 -4.932 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.806 -6.368 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.229 -4.975 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.082 -4.442 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.218 -4.449 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.509 -5.505 -5.030 1.00 0.00 H new ATOM 835 N VAL A 55 0.119 -8.249 -1.536 1.00 0.00 N ATOM 836 CA VAL A 55 -0.666 -9.415 -1.121 1.00 0.00 C ATOM 837 C VAL A 55 -2.006 -9.026 -0.477 1.00 0.00 C ATOM 838 O VAL A 55 -2.066 -8.170 0.399 1.00 0.00 O ATOM 839 CB VAL A 55 0.155 -10.311 -0.153 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.582 -9.523 1.084 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.600 -11.599 0.229 1.00 0.00 C ATOM 0 H VAL A 55 -0.109 -7.384 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.895 -9.978 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 55 1.055 -10.624 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.155 -10.170 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.198 -8.676 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.303 -9.159 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.013 -12.193 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.537 -11.339 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.811 -12.177 -0.670 1.00 0.00 H new ATOM 851 N TRP A 56 -3.072 -9.707 -0.900 1.00 0.00 N ATOM 852 CA TRP A 56 -4.412 -9.494 -0.361 1.00 0.00 C ATOM 853 C TRP A 56 -4.778 -10.720 0.461 1.00 0.00 C ATOM 854 O TRP A 56 -4.837 -11.829 -0.077 1.00 0.00 O ATOM 855 CB TRP A 56 -5.396 -9.263 -1.504 1.00 0.00 C ATOM 856 CG TRP A 56 -5.041 -8.047 -2.303 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.591 -6.804 -2.191 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.033 -7.951 -3.318 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.000 -5.944 -3.079 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.041 -6.624 -3.785 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.129 -8.859 -3.880 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.179 -6.183 -4.788 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.276 -8.420 -4.874 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.306 -7.093 -5.319 1.00 0.00 C ATOM 0 H TRP A 56 -3.029 -10.422 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.448 -8.611 0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.408 -10.136 -2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.403 -9.153 -1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.378 -6.536 -1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.235 -4.958 -3.196 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.099 -9.885 -3.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.200 -5.160 -5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.574 -9.112 -5.315 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.626 -6.781 -6.098 1.00 0.00 H new ATOM 875 N ASN A 57 -4.944 -10.541 1.781 1.00 0.00 N ATOM 876 CA ASN A 57 -5.208 -11.681 2.679 1.00 0.00 C ATOM 877 C ASN A 57 -6.600 -11.656 3.323 1.00 0.00 C ATOM 878 O ASN A 57 -7.462 -12.458 2.956 1.00 0.00 O ATOM 879 CB ASN A 57 -4.119 -11.747 3.765 1.00 0.00 C ATOM 880 CG ASN A 57 -2.708 -11.702 3.197 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.128 -12.735 2.863 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.149 -10.496 3.086 1.00 0.00 N ATOM 0 H ASN A 57 -4.902 -9.634 2.246 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.183 -12.577 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.253 -10.915 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.244 -12.664 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.204 -10.404 2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.666 -9.666 3.375 1.00 0.00 H new ATOM 889 N ASP A 58 -6.809 -10.766 4.304 1.00 0.00 N ATOM 890 CA ASP A 58 -8.092 -10.682 5.018 1.00 0.00 C ATOM 891 C ASP A 58 -9.260 -10.379 4.068 1.00 0.00 C ATOM 892 O ASP A 58 -9.094 -10.400 2.847 1.00 0.00 O ATOM 893 CB ASP A 58 -8.005 -9.629 6.146 1.00 0.00 C ATOM 894 CG ASP A 58 -8.546 -10.132 7.476 1.00 0.00 C ATOM 895 OD1 ASP A 58 -9.432 -11.013 7.468 1.00 0.00 O ATOM 896 OD2 ASP A 58 -8.081 -9.641 8.527 1.00 0.00 O ATOM 0 H ASP A 58 -6.108 -10.096 4.621 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.292 -11.657 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.965 -9.328 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.560 -8.740 5.848 1.00 0.00 H new ATOM 901 N ASP A 59 -10.442 -10.108 4.642 1.00 0.00 N ATOM 902 CA ASP A 59 -11.649 -9.813 3.856 1.00 0.00 C ATOM 903 C ASP A 59 -11.447 -8.598 2.949 1.00 0.00 C ATOM 904 O ASP A 59 -11.958 -8.562 1.827 1.00 0.00 O ATOM 905 CB ASP A 59 -12.838 -9.568 4.783 1.00 0.00 C ATOM 906 CG ASP A 59 -13.242 -10.815 5.546 1.00 0.00 C ATOM 907 OD1 ASP A 59 -12.665 -11.063 6.626 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.133 -11.545 5.062 1.00 0.00 O ATOM 0 H ASP A 59 -10.587 -10.087 5.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.850 -10.679 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.587 -8.778 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.686 -9.213 4.197 1.00 0.00 H new ATOM 913 N ASP A 60 -10.697 -7.611 3.445 1.00 0.00 N ATOM 914 CA ASP A 60 -10.422 -6.395 2.681 1.00 0.00 C ATOM 915 C ASP A 60 -9.099 -5.734 3.099 1.00 0.00 C ATOM 916 O ASP A 60 -8.906 -4.535 2.878 1.00 0.00 O ATOM 917 CB ASP A 60 -11.577 -5.406 2.843 1.00 0.00 C ATOM 918 CG ASP A 60 -12.806 -5.817 2.055 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.676 -6.068 0.839 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.899 -5.890 2.657 1.00 0.00 O ATOM 0 H ASP A 60 -10.270 -7.631 4.371 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.326 -6.680 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.836 -5.324 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.254 -4.418 2.517 1.00 0.00 H new ATOM 925 N SER A 61 -8.179 -6.517 3.685 1.00 0.00 N ATOM 926 CA SER A 61 -6.874 -6.002 4.110 1.00 0.00 C ATOM 927 C SER A 61 -5.773 -6.555 3.209 1.00 0.00 C ATOM 928 O SER A 61 -5.818 -7.725 2.797 1.00 0.00 O ATOM 929 CB SER A 61 -6.600 -6.366 5.571 1.00 0.00 C ATOM 930 OG SER A 61 -5.265 -6.054 5.936 1.00 0.00 O ATOM 0 H SER A 61 -8.318 -7.510 3.874 1.00 0.00 H new ATOM 0 HA SER A 61 -6.886 -4.915 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.292 -5.828 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.782 -7.430 5.724 1.00 0.00 H new ATOM 0 HG SER A 61 -5.118 -6.295 6.874 1.00 0.00 H new ATOM 936 N SER A 62 -4.791 -5.706 2.891 1.00 0.00 N ATOM 937 CA SER A 62 -3.684 -6.097 2.021 1.00 0.00 C ATOM 938 C SER A 62 -2.356 -5.634 2.612 1.00 0.00 C ATOM 939 O SER A 62 -2.325 -5.133 3.735 1.00 0.00 O ATOM 940 CB SER A 62 -3.907 -5.500 0.628 1.00 0.00 C ATOM 941 OG SER A 62 -5.286 -5.510 0.291 1.00 0.00 O ATOM 0 H SER A 62 -4.743 -4.743 3.225 1.00 0.00 H new ATOM 0 HA SER A 62 -3.647 -7.183 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.528 -4.478 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.343 -6.069 -0.111 1.00 0.00 H new ATOM 0 HG SER A 62 -5.385 -5.493 -0.684 1.00 0.00 H new ATOM 947 N THR A 63 -1.265 -5.809 1.862 1.00 0.00 N ATOM 948 CA THR A 63 0.057 -5.413 2.330 1.00 0.00 C ATOM 949 C THR A 63 0.996 -5.130 1.159 1.00 0.00 C ATOM 950 O THR A 63 0.964 -5.821 0.137 1.00 0.00 O ATOM 951 CB THR A 63 0.657 -6.496 3.227 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.343 -7.089 4.038 1.00 0.00 O ATOM 953 CG2 THR A 63 1.739 -5.970 4.144 1.00 0.00 C ATOM 0 H THR A 63 -1.275 -6.222 0.930 1.00 0.00 H new ATOM 0 HA THR A 63 -0.058 -4.496 2.908 1.00 0.00 H new ATOM 0 HB THR A 63 1.096 -7.227 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.061 -7.780 4.603 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.126 -6.785 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.548 -5.548 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.324 -5.197 4.791 1.00 0.00 H new ATOM 961 N LEU A 64 1.836 -4.107 1.329 1.00 0.00 N ATOM 962 CA LEU A 64 2.803 -3.699 0.321 1.00 0.00 C ATOM 963 C LEU A 64 4.211 -4.039 0.791 1.00 0.00 C ATOM 964 O LEU A 64 4.829 -3.255 1.516 1.00 0.00 O ATOM 965 CB LEU A 64 2.684 -2.182 0.092 1.00 0.00 C ATOM 966 CG LEU A 64 3.352 -1.565 -1.171 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.326 -0.456 -0.778 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.050 -2.603 -2.061 1.00 0.00 C ATOM 0 H LEU A 64 1.861 -3.539 2.176 1.00 0.00 H new ATOM 0 HA LEU A 64 2.603 -4.227 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.623 -1.934 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.102 -1.682 0.965 1.00 0.00 H new ATOM 0 HG LEU A 64 2.543 -1.142 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.782 -0.038 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.789 0.328 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.103 -0.866 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.494 -2.104 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.831 -3.105 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.321 -3.338 -2.403 1.00 0.00 H new ATOM 980 N THR A 65 4.705 -5.214 0.390 1.00 0.00 N ATOM 981 CA THR A 65 6.042 -5.666 0.784 1.00 0.00 C ATOM 982 C THR A 65 7.088 -5.210 -0.236 1.00 0.00 C ATOM 983 O THR A 65 6.854 -5.271 -1.438 1.00 0.00 O ATOM 984 CB THR A 65 6.079 -7.210 0.952 1.00 0.00 C ATOM 985 OG1 THR A 65 4.775 -7.769 0.885 1.00 0.00 O ATOM 986 CG2 THR A 65 6.688 -7.661 2.267 1.00 0.00 C ATOM 0 H THR A 65 4.199 -5.869 -0.207 1.00 0.00 H new ATOM 0 HA THR A 65 6.281 -5.215 1.747 1.00 0.00 H new ATOM 0 HB THR A 65 6.704 -7.560 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.466 -7.767 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.681 -8.750 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.715 -7.301 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.106 -7.257 3.095 1.00 0.00 H new ATOM 994 N ILE A 66 8.245 -4.770 0.263 1.00 0.00 N ATOM 995 CA ILE A 66 9.359 -4.324 -0.577 1.00 0.00 C ATOM 996 C ILE A 66 10.638 -4.942 -0.008 1.00 0.00 C ATOM 997 O ILE A 66 11.296 -4.353 0.847 1.00 0.00 O ATOM 998 CB ILE A 66 9.479 -2.774 -0.635 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.145 -2.142 -1.062 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.609 -2.338 -1.572 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.941 -0.745 -0.520 1.00 0.00 C ATOM 0 H ILE A 66 8.436 -4.713 1.263 1.00 0.00 H new ATOM 0 HA ILE A 66 9.187 -4.649 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 66 9.723 -2.421 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.098 -2.112 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.326 -2.778 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.667 -1.250 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.555 -2.746 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.411 -2.708 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.980 -0.359 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.956 -0.772 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.740 -0.096 -0.878 1.00 0.00 H new ATOM 1013 N TYR A 67 10.930 -6.169 -0.449 1.00 0.00 N ATOM 1014 CA TYR A 67 12.080 -6.952 0.038 1.00 0.00 C ATOM 1015 C TYR A 67 13.419 -6.197 0.044 1.00 0.00 C ATOM 1016 O TYR A 67 14.017 -5.987 1.101 1.00 0.00 O ATOM 1017 CB TYR A 67 12.226 -8.239 -0.788 1.00 0.00 C ATOM 1018 CG TYR A 67 10.946 -9.053 -0.916 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.081 -9.224 0.165 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.605 -9.650 -2.124 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.922 -9.967 0.042 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.446 -10.392 -2.254 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.609 -10.549 -1.169 1.00 0.00 C ATOM 1024 OH TYR A 67 7.457 -11.297 -1.297 1.00 0.00 O ATOM 0 H TYR A 67 10.376 -6.653 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 67 11.856 -7.175 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.577 -7.978 -1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.995 -8.863 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.321 -8.768 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.257 -9.532 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.265 -10.091 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.197 -10.847 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 67 7.386 -11.634 -2.214 1.00 0.00 H new ATOM 1034 N ASN A 68 13.905 -5.847 -1.140 1.00 0.00 N ATOM 1035 CA ASN A 68 15.197 -5.168 -1.287 1.00 0.00 C ATOM 1036 C ASN A 68 15.220 -3.789 -0.632 1.00 0.00 C ATOM 1037 O ASN A 68 15.949 -3.566 0.334 1.00 0.00 O ATOM 1038 CB ASN A 68 15.583 -5.048 -2.764 1.00 0.00 C ATOM 1039 CG ASN A 68 17.086 -4.967 -2.964 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.682 -3.833 -2.599 1.00 0.00 O flip ATOM 1041 ND2 ASN A 68 17.708 -5.917 -3.438 1.00 0.00 N flip ATOM 0 H ASN A 68 13.423 -6.022 -2.022 1.00 0.00 H new ATOM 0 HA ASN A 68 15.929 -5.787 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.192 -5.907 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.114 -4.160 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 68 17.213 -6.768 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 68 18.718 -5.853 -3.564 1.00 0.00 H new ATOM 1048 N ALA A 69 14.430 -2.863 -1.176 1.00 0.00 N ATOM 1049 CA ALA A 69 14.351 -1.477 -0.676 1.00 0.00 C ATOM 1050 C ALA A 69 15.579 -0.666 -1.087 1.00 0.00 C ATOM 1051 O ALA A 69 16.714 -1.062 -0.816 1.00 0.00 O ATOM 1052 CB ALA A 69 14.178 -1.418 0.845 1.00 0.00 C ATOM 0 H ALA A 69 13.824 -3.046 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 69 13.465 -1.037 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.125 -0.377 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.259 -1.932 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.027 -1.903 1.327 1.00 0.00 H new ATOM 1058 N ASN A 70 15.336 0.480 -1.732 1.00 0.00 N ATOM 1059 CA ASN A 70 16.404 1.373 -2.175 1.00 0.00 C ATOM 1060 C ASN A 70 15.941 2.830 -2.113 1.00 0.00 C ATOM 1061 O ASN A 70 14.746 3.112 -1.963 1.00 0.00 O ATOM 1062 CB ASN A 70 16.840 1.026 -3.603 1.00 0.00 C ATOM 1063 CG ASN A 70 17.245 -0.430 -3.753 1.00 0.00 C ATOM 1064 OD1 ASN A 70 16.261 -1.315 -3.903 1.00 0.00 O flip ATOM 1065 ND2 ASN A 70 18.432 -0.757 -3.734 1.00 0.00 N flip ATOM 0 H ASN A 70 14.398 0.810 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 70 17.255 1.243 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 70 16.024 1.245 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.677 1.663 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 70 19.155 -0.047 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.692 -1.738 -3.835 1.00 0.00 H new ATOM 1072 N ILE A 71 16.888 3.767 -2.238 1.00 0.00 N ATOM 1073 CA ILE A 71 16.562 5.201 -2.200 1.00 0.00 C ATOM 1074 C ILE A 71 15.510 5.588 -3.255 1.00 0.00 C ATOM 1075 O ILE A 71 14.808 6.591 -3.092 1.00 0.00 O ATOM 1076 CB ILE A 71 17.818 6.086 -2.370 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.614 5.680 -3.618 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.691 6.000 -1.125 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.761 6.616 -3.943 1.00 0.00 C ATOM 0 H ILE A 71 17.879 3.563 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 71 16.140 5.383 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 71 17.495 7.119 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.008 4.674 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.938 5.639 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.573 6.627 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.125 6.345 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.000 4.967 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.276 6.264 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.373 7.619 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.460 6.639 -3.107 1.00 0.00 H new ATOM 1091 N ASP A 72 15.390 4.780 -4.320 1.00 0.00 N ATOM 1092 CA ASP A 72 14.409 5.032 -5.373 1.00 0.00 C ATOM 1093 C ASP A 72 13.004 4.658 -4.900 1.00 0.00 C ATOM 1094 O ASP A 72 12.036 5.357 -5.208 1.00 0.00 O ATOM 1095 CB ASP A 72 14.757 4.246 -6.639 1.00 0.00 C ATOM 1096 CG ASP A 72 16.016 4.761 -7.309 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.218 5.993 -7.327 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.802 3.931 -7.814 1.00 0.00 O ATOM 0 H ASP A 72 15.962 3.949 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 72 14.432 6.097 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.887 3.194 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.925 4.305 -7.341 1.00 0.00 H new ATOM 1103 N ASP A 73 12.901 3.560 -4.135 1.00 0.00 N ATOM 1104 CA ASP A 73 11.620 3.105 -3.604 1.00 0.00 C ATOM 1105 C ASP A 73 11.101 4.079 -2.549 1.00 0.00 C ATOM 1106 O ASP A 73 9.890 4.272 -2.423 1.00 0.00 O ATOM 1107 CB ASP A 73 11.758 1.703 -3.008 1.00 0.00 C ATOM 1108 CG ASP A 73 11.782 0.620 -4.071 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.079 0.773 -5.094 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.504 -0.381 -3.883 1.00 0.00 O ATOM 0 H ASP A 73 13.694 2.975 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 73 10.902 3.067 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.674 1.650 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.929 1.519 -2.325 1.00 0.00 H new ATOM 1115 N ALA A 74 12.025 4.707 -1.794 1.00 0.00 N ATOM 1116 CA ALA A 74 11.650 5.682 -0.754 1.00 0.00 C ATOM 1117 C ALA A 74 10.711 6.770 -1.296 1.00 0.00 C ATOM 1118 O ALA A 74 11.131 7.628 -2.078 1.00 0.00 O ATOM 1119 CB ALA A 74 12.895 6.322 -0.152 1.00 0.00 C ATOM 0 H ALA A 74 13.030 4.557 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 74 11.112 5.136 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.601 7.039 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.521 5.550 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.455 6.835 -0.934 1.00 0.00 H new ATOM 1125 N GLY A 75 9.449 6.714 -0.872 1.00 0.00 N ATOM 1126 CA GLY A 75 8.456 7.683 -1.307 1.00 0.00 C ATOM 1127 C GLY A 75 7.105 7.425 -0.673 1.00 0.00 C ATOM 1128 O GLY A 75 6.930 6.413 0.012 1.00 0.00 O ATOM 0 H GLY A 75 9.095 6.007 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.792 8.688 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.362 7.645 -2.392 1.00 0.00 H new ATOM 1132 N ILE A 76 6.150 8.331 -0.893 1.00 0.00 N ATOM 1133 CA ILE A 76 4.815 8.178 -0.326 1.00 0.00 C ATOM 1134 C ILE A 76 3.981 7.200 -1.155 1.00 0.00 C ATOM 1135 O ILE A 76 3.377 7.589 -2.158 1.00 0.00 O ATOM 1136 CB ILE A 76 4.069 9.538 -0.203 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.965 10.567 0.519 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.731 9.355 0.530 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.295 11.893 0.828 1.00 0.00 C ATOM 0 H ILE A 76 6.278 9.172 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 76 4.944 7.777 0.679 1.00 0.00 H new ATOM 0 HB ILE A 76 3.851 9.915 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.317 10.128 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.845 10.756 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.224 10.317 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.104 8.657 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.915 8.961 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.003 12.549 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.968 12.361 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.432 11.723 1.472 1.00 0.00 H new ATOM 1151 N TYR A 77 3.931 5.935 -0.712 1.00 0.00 N ATOM 1152 CA TYR A 77 3.140 4.915 -1.403 1.00 0.00 C ATOM 1153 C TYR A 77 1.653 5.180 -1.161 1.00 0.00 C ATOM 1154 O TYR A 77 1.302 6.015 -0.320 1.00 0.00 O ATOM 1155 CB TYR A 77 3.499 3.509 -0.909 1.00 0.00 C ATOM 1156 CG TYR A 77 4.877 3.019 -1.306 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.003 3.469 -0.636 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.049 2.077 -2.317 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.268 3.000 -0.959 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.309 1.599 -2.643 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.410 2.064 -1.960 1.00 0.00 C ATOM 1162 OH TYR A 77 8.658 1.591 -2.279 1.00 0.00 O ATOM 0 H TYR A 77 4.425 5.599 0.115 1.00 0.00 H new ATOM 0 HA TYR A 77 3.361 4.968 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.424 3.493 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.757 2.807 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.894 4.199 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.187 1.713 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.135 3.366 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.426 0.866 -3.428 1.00 0.00 H new ATOM 0 HH TYR A 77 8.584 0.937 -3.005 1.00 0.00 H new ATOM 1172 N LYS A 78 0.783 4.479 -1.894 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.665 4.660 -1.749 1.00 0.00 C ATOM 1174 C LYS A 78 -1.393 3.324 -1.623 1.00 0.00 C ATOM 1175 O LYS A 78 -0.936 2.304 -2.131 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.228 5.442 -2.949 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.123 6.613 -2.565 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.496 7.461 -3.776 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.278 8.121 -4.409 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.615 9.428 -5.036 1.00 0.00 N ATOM 0 H LYS A 78 1.054 3.784 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.832 5.225 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.397 5.815 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.794 4.758 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.030 6.237 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.613 7.235 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.995 6.836 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.209 8.229 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.511 8.270 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.856 7.456 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.758 9.843 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.328 9.283 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.994 10.072 -4.313 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.560 3.367 -0.982 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.417 2.198 -0.809 1.00 0.00 C ATOM 1196 C CYS A 79 -4.860 2.656 -1.053 1.00 0.00 C ATOM 1197 O CYS A 79 -5.450 3.366 -0.234 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.137 1.525 0.579 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.443 1.540 1.870 1.00 0.00 S ATOM 0 H CYS A 79 -2.938 4.218 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.210 1.405 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.876 0.484 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.254 2.004 1.002 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.392 2.318 -2.240 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.735 2.761 -2.641 1.00 0.00 C ATOM 1206 C VAL A 80 -7.755 1.627 -2.639 1.00 0.00 C ATOM 1207 O VAL A 80 -7.455 0.499 -3.017 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.731 3.425 -4.049 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.051 4.144 -4.317 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.567 4.400 -4.200 1.00 0.00 C ATOM 0 H VAL A 80 -4.914 1.743 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.029 3.496 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.609 2.629 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.023 4.599 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.871 3.428 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.202 4.919 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.593 4.846 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.649 5.184 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.626 3.867 -4.066 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.983 1.967 -2.236 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.091 1.024 -2.202 1.00 0.00 C ATOM 1222 C VAL A 81 -11.206 1.571 -3.101 1.00 0.00 C ATOM 1223 O VAL A 81 -11.364 2.785 -3.203 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.560 0.792 -0.714 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.082 0.791 -0.519 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.965 -0.504 -0.169 1.00 0.00 C ATOM 0 H VAL A 81 -9.231 2.906 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.791 0.047 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.188 1.650 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.314 0.625 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.490 1.752 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.525 -0.005 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.296 -0.653 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.296 -1.342 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.877 -0.444 -0.194 1.00 0.00 H new ATOM 1236 N THR A 82 -11.968 0.686 -3.753 1.00 0.00 N ATOM 1237 CA THR A 82 -13.062 1.133 -4.628 1.00 0.00 C ATOM 1238 C THR A 82 -14.388 0.479 -4.254 1.00 0.00 C ATOM 1239 O THR A 82 -14.436 -0.703 -3.907 1.00 0.00 O ATOM 1240 CB THR A 82 -12.742 0.879 -6.102 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.345 0.952 -6.333 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.415 1.876 -7.028 1.00 0.00 C ATOM 0 H THR A 82 -11.853 -0.326 -3.695 1.00 0.00 H new ATOM 0 HA THR A 82 -13.162 2.208 -4.480 1.00 0.00 H new ATOM 0 HB THR A 82 -13.122 -0.119 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.098 1.874 -6.555 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.153 1.648 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.496 1.813 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.080 2.884 -6.783 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.462 1.272 -4.327 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.803 0.801 -4.000 1.00 0.00 C ATOM 1252 C ALA A 83 -17.472 0.149 -5.214 1.00 0.00 C ATOM 1253 O ALA A 83 -16.821 -0.078 -6.237 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.643 1.957 -3.471 1.00 0.00 C ATOM 0 H ALA A 83 -15.423 2.250 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.724 0.040 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.643 1.599 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.177 2.365 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.711 2.735 -4.231 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.769 -0.156 -5.091 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.524 -0.786 -6.171 1.00 0.00 C ATOM 1262 C GLU A 84 -19.933 0.232 -7.235 1.00 0.00 C ATOM 1263 O GLU A 84 -19.974 -0.092 -8.425 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.769 -1.478 -5.610 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.475 -2.372 -6.615 1.00 0.00 C ATOM 1266 CD GLU A 84 -20.706 -3.647 -6.904 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -20.582 -4.486 -5.987 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -20.230 -3.806 -8.048 1.00 0.00 O ATOM 0 H GLU A 84 -19.316 0.026 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.877 -1.527 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.483 -2.075 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.468 -0.719 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.465 -2.627 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.622 -1.822 -7.545 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.249 1.457 -6.802 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.670 2.518 -7.718 1.00 0.00 C ATOM 1277 C ASP A 85 -19.476 3.307 -8.258 1.00 0.00 C ATOM 1278 O ASP A 85 -19.494 3.750 -9.410 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.651 3.465 -7.020 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.081 4.070 -5.750 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.199 3.430 -4.684 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.517 5.182 -5.824 1.00 0.00 O ATOM 0 H ASP A 85 -20.221 1.737 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.167 2.043 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -21.927 4.266 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.565 2.922 -6.780 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.446 3.485 -7.422 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.259 4.230 -7.832 1.00 0.00 C ATOM 1289 C GLY A 86 -16.572 4.967 -6.690 1.00 0.00 C ATOM 1290 O GLY A 86 -15.400 5.327 -6.808 1.00 0.00 O ATOM 0 H GLY A 86 -18.414 3.126 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.548 3.541 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.541 4.951 -8.600 1.00 0.00 H new ATOM 1294 N THR A 87 -17.291 5.191 -5.572 1.00 0.00 N ATOM 1295 CA THR A 87 -16.731 5.889 -4.397 1.00 0.00 C ATOM 1296 C THR A 87 -15.396 5.268 -3.969 1.00 0.00 C ATOM 1297 O THR A 87 -15.357 4.115 -3.556 1.00 0.00 O ATOM 1298 CB THR A 87 -17.732 5.840 -3.229 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.978 6.392 -3.617 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.271 6.581 -1.989 1.00 0.00 C ATOM 0 H THR A 87 -18.261 4.898 -5.458 1.00 0.00 H new ATOM 0 HA THR A 87 -16.550 6.928 -4.674 1.00 0.00 H new ATOM 0 HB THR A 87 -17.819 4.783 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.423 5.786 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.031 6.499 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.338 6.146 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.112 7.632 -2.231 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.310 6.039 -4.089 1.00 0.00 N ATOM 1309 CA GLN A 88 -12.977 5.552 -3.732 1.00 0.00 C ATOM 1310 C GLN A 88 -12.471 6.171 -2.422 1.00 0.00 C ATOM 1311 O GLN A 88 -12.625 7.371 -2.186 1.00 0.00 O ATOM 1312 CB GLN A 88 -11.981 5.869 -4.852 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.049 4.895 -6.019 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.714 4.723 -6.732 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.297 3.602 -7.019 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.035 5.832 -7.022 1.00 0.00 N ATOM 0 H GLN A 88 -14.330 7.000 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.056 4.474 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.169 6.878 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.971 5.862 -4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.388 3.925 -5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.794 5.245 -6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.415 6.744 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.135 5.769 -7.499 1.00 0.00 H new ATOM 1325 N SER A 89 -11.835 5.338 -1.594 1.00 0.00 N ATOM 1326 CA SER A 89 -11.254 5.762 -0.323 1.00 0.00 C ATOM 1327 C SER A 89 -9.791 5.343 -0.298 1.00 0.00 C ATOM 1328 O SER A 89 -9.500 4.154 -0.219 1.00 0.00 O ATOM 1329 CB SER A 89 -11.996 5.103 0.836 1.00 0.00 C ATOM 1330 OG SER A 89 -12.233 3.730 0.577 1.00 0.00 O ATOM 0 H SER A 89 -11.709 4.345 -1.790 1.00 0.00 H new ATOM 0 HA SER A 89 -11.338 6.844 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.413 5.208 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.945 5.614 1.002 1.00 0.00 H new ATOM 0 HG SER A 89 -11.450 3.341 0.135 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.867 6.308 -0.416 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.433 5.986 -0.462 1.00 0.00 C ATOM 1338 C GLU A 90 -6.676 6.287 0.836 1.00 0.00 C ATOM 1339 O GLU A 90 -7.237 6.795 1.807 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.768 6.711 -1.645 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.661 8.221 -1.482 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.500 8.941 -2.807 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.383 8.789 -3.677 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.490 9.657 -2.975 1.00 0.00 O ATOM 0 H GLU A 90 -9.082 7.303 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.373 4.906 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.768 6.302 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.334 6.495 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.553 8.592 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.811 8.454 -0.840 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.379 5.954 0.812 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.483 6.162 1.939 1.00 0.00 C ATOM 1353 C ALA A 91 -3.065 6.419 1.436 1.00 0.00 C ATOM 1354 O ALA A 91 -2.784 6.228 0.249 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.492 4.946 2.854 1.00 0.00 C ATOM 0 H ALA A 91 -4.927 5.531 0.002 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.827 7.029 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.817 5.117 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.502 4.780 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.164 4.069 2.297 1.00 0.00 H new ATOM 1361 N THR A 92 -2.173 6.836 2.337 1.00 0.00 N ATOM 1362 CA THR A 92 -0.784 7.102 1.972 1.00 0.00 C ATOM 1363 C THR A 92 0.163 6.788 3.123 1.00 0.00 C ATOM 1364 O THR A 92 -0.211 6.876 4.296 1.00 0.00 O ATOM 1365 CB THR A 92 -0.597 8.561 1.524 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.517 9.422 2.181 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.764 8.749 0.031 1.00 0.00 C ATOM 0 H THR A 92 -2.389 6.996 3.321 1.00 0.00 H new ATOM 0 HA THR A 92 -0.541 6.446 1.136 1.00 0.00 H new ATOM 0 HB THR A 92 0.428 8.816 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.375 10.344 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.620 9.799 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.026 8.144 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.766 8.439 -0.265 1.00 0.00 H new ATOM 1375 N VAL A 93 1.399 6.435 2.768 1.00 0.00 N ATOM 1376 CA VAL A 93 2.434 6.119 3.745 1.00 0.00 C ATOM 1377 C VAL A 93 3.772 6.706 3.294 1.00 0.00 C ATOM 1378 O VAL A 93 4.320 6.289 2.272 1.00 0.00 O ATOM 1379 CB VAL A 93 2.559 4.584 3.957 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.820 3.869 2.633 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.635 4.245 4.997 1.00 0.00 C ATOM 0 H VAL A 93 1.707 6.361 1.798 1.00 0.00 H new ATOM 0 HA VAL A 93 2.151 6.564 4.699 1.00 0.00 H new ATOM 0 HB VAL A 93 1.607 4.225 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.903 2.797 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.995 4.061 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.748 4.238 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.695 3.164 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.599 4.626 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.376 4.704 5.951 1.00 0.00 H new ATOM 1391 N ASN A 94 4.284 7.672 4.065 1.00 0.00 N ATOM 1392 CA ASN A 94 5.557 8.320 3.755 1.00 0.00 C ATOM 1393 C ASN A 94 6.721 7.367 4.035 1.00 0.00 C ATOM 1394 O ASN A 94 7.283 7.357 5.135 1.00 0.00 O ATOM 1395 CB ASN A 94 5.704 9.608 4.571 1.00 0.00 C ATOM 1396 CG ASN A 94 6.495 10.677 3.836 1.00 0.00 C ATOM 1397 OD1 ASN A 94 5.937 11.689 3.411 1.00 0.00 O ATOM 1398 ND2 ASN A 94 7.799 10.459 3.678 1.00 0.00 N ATOM 0 H ASN A 94 3.832 8.021 4.910 1.00 0.00 H new ATOM 0 HA ASN A 94 5.573 8.577 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.714 9.995 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.198 9.381 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.375 11.144 3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.222 9.607 4.046 1.00 0.00 H new ATOM 1405 N VAL A 95 7.070 6.557 3.036 1.00 0.00 N ATOM 1406 CA VAL A 95 8.152 5.587 3.175 1.00 0.00 C ATOM 1407 C VAL A 95 9.507 6.208 2.826 1.00 0.00 C ATOM 1408 O VAL A 95 9.664 6.830 1.775 1.00 0.00 O ATOM 1409 CB VAL A 95 7.912 4.336 2.295 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.918 3.256 2.624 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.495 3.792 2.479 1.00 0.00 C ATOM 0 H VAL A 95 6.618 6.554 2.122 1.00 0.00 H new ATOM 0 HA VAL A 95 8.165 5.280 4.221 1.00 0.00 H new ATOM 0 HB VAL A 95 8.034 4.637 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.734 2.384 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.926 3.629 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.820 2.975 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.358 2.914 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.344 3.516 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.772 4.558 2.198 1.00 0.00 H new ATOM 1421 N LYS A 96 10.483 6.018 3.722 1.00 0.00 N ATOM 1422 CA LYS A 96 11.837 6.535 3.530 1.00 0.00 C ATOM 1423 C LYS A 96 12.842 5.391 3.402 1.00 0.00 C ATOM 1424 O LYS A 96 12.597 4.282 3.886 1.00 0.00 O ATOM 1425 CB LYS A 96 12.235 7.443 4.709 1.00 0.00 C ATOM 1426 CG LYS A 96 12.801 8.788 4.278 1.00 0.00 C ATOM 1427 CD LYS A 96 13.424 9.532 5.447 1.00 0.00 C ATOM 1428 CE LYS A 96 12.373 10.265 6.263 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.980 11.063 7.364 1.00 0.00 N ATOM 0 H LYS A 96 10.355 5.505 4.594 1.00 0.00 H new ATOM 0 HA LYS A 96 11.848 7.117 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.361 7.611 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.974 6.926 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.551 8.636 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.008 9.394 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.956 8.828 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.160 10.245 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.801 10.924 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.671 9.544 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.229 11.547 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.505 10.431 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.631 11.769 6.963 1.00 0.00 H new ATOM 1443 N ILE A 97 13.991 5.687 2.789 1.00 0.00 N ATOM 1444 CA ILE A 97 15.064 4.711 2.636 1.00 0.00 C ATOM 1445 C ILE A 97 16.415 5.422 2.660 1.00 0.00 C ATOM 1446 O ILE A 97 16.586 6.471 2.038 1.00 0.00 O ATOM 1447 CB ILE A 97 14.933 3.826 1.364 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.496 3.255 1.269 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.981 2.702 1.402 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.277 2.189 0.206 1.00 0.00 C ATOM 0 H ILE A 97 14.199 6.602 2.389 1.00 0.00 H new ATOM 0 HA ILE A 97 14.985 4.026 3.480 1.00 0.00 H new ATOM 0 HB ILE A 97 15.117 4.430 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.227 2.835 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.809 4.080 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.885 2.085 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.980 3.137 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.822 2.086 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.238 1.861 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.506 2.602 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.930 1.339 0.403 1.00 0.00 H new ATOM 1462 N PHE A 98 17.361 4.850 3.411 1.00 0.00 N ATOM 1463 CA PHE A 98 18.705 5.429 3.559 1.00 0.00 C ATOM 1464 C PHE A 98 19.776 4.421 3.127 1.00 0.00 C ATOM 1465 O PHE A 98 19.764 3.264 3.561 1.00 0.00 O ATOM 1466 CB PHE A 98 18.956 5.914 5.019 1.00 0.00 C ATOM 1467 CG PHE A 98 17.918 5.479 6.031 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.669 6.085 6.065 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.187 4.458 6.926 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.712 5.678 6.970 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.232 4.051 7.838 1.00 0.00 C ATOM 1472 CZ PHE A 98 15.994 4.661 7.858 1.00 0.00 C ATOM 0 H PHE A 98 17.222 3.982 3.929 1.00 0.00 H new ATOM 0 HA PHE A 98 18.769 6.300 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.931 5.550 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.006 7.003 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.445 6.884 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.153 3.975 6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.743 6.155 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.454 3.256 8.535 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.246 4.342 8.569 1.00 0.00 H new ATOM 1482 N GLN A 99 20.693 4.876 2.263 1.00 0.00 N ATOM 1483 CA GLN A 99 21.774 4.031 1.756 1.00 0.00 C ATOM 1484 C GLN A 99 22.889 3.892 2.787 1.00 0.00 C ATOM 1485 O GLN A 99 23.293 4.924 3.363 1.00 0.00 O ATOM 1486 CB GLN A 99 22.336 4.615 0.454 1.00 0.00 C ATOM 1487 CG GLN A 99 23.219 3.651 -0.324 1.00 0.00 C ATOM 1488 CD GLN A 99 22.425 2.558 -1.022 1.00 0.00 C ATOM 1489 OE1 GLN A 99 22.587 1.375 -0.723 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.565 2.946 -1.962 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.350 2.753 3.009 1.00 0.00 O ATOM 0 H GLN A 99 20.704 5.830 1.901 1.00 0.00 H new ATOM 0 HA GLN A 99 21.364 3.041 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.506 4.925 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.911 5.511 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.792 4.208 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.938 3.194 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.460 3.937 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 99 21.011 2.252 -2.464 1.00 0.00 H new