USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 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 Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0281) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 42:sc= 0.00714 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 173:sc= -3.5! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0728) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= -0.361 (180deg=-0.506) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 86 MET CE :methyl 151:sc= -9.22! (180deg=-13.1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.622 9.785 -17.857 1.00 0.00 N ATOM 2 CA ALA A 1 -19.775 10.907 -16.907 1.00 0.00 C ATOM 3 C ALA A 1 -18.648 10.851 -15.841 1.00 0.00 C ATOM 4 O ALA A 1 -18.028 11.872 -15.521 1.00 0.00 O ATOM 5 CB ALA A 1 -21.174 10.863 -16.265 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.315 9.884 -18.626 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.661 9.795 -18.254 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.782 8.885 -17.360 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.684 11.855 -17.437 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.280 11.693 -15.566 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.934 10.944 -17.042 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.300 9.921 -15.732 1.00 0.00 H new ATOM 13 N SER A 2 -18.391 9.642 -15.308 1.00 0.00 N ATOM 14 CA SER A 2 -17.331 9.411 -14.291 1.00 0.00 C ATOM 15 C SER A 2 -17.235 7.895 -13.966 1.00 0.00 C ATOM 16 O SER A 2 -16.149 7.306 -14.021 1.00 0.00 O ATOM 17 CB SER A 2 -17.628 10.264 -13.036 1.00 0.00 C ATOM 18 OG SER A 2 -18.995 10.163 -12.650 1.00 0.00 O ATOM 0 H SER A 2 -18.905 8.799 -15.564 1.00 0.00 H new ATOM 0 HA SER A 2 -16.361 9.721 -14.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.991 9.938 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.381 11.307 -13.236 1.00 0.00 H new ATOM 0 HG SER A 2 -19.151 10.712 -11.853 1.00 0.00 H new ATOM 24 N MET A 3 -18.380 7.289 -13.602 1.00 0.00 N ATOM 25 CA MET A 3 -18.481 5.831 -13.326 1.00 0.00 C ATOM 26 C MET A 3 -17.653 5.490 -12.057 1.00 0.00 C ATOM 27 O MET A 3 -18.160 5.584 -10.931 1.00 0.00 O ATOM 28 CB MET A 3 -18.021 5.027 -14.574 1.00 0.00 C ATOM 29 CG MET A 3 -17.986 3.496 -14.405 1.00 0.00 C ATOM 30 SD MET A 3 -19.637 2.784 -14.601 1.00 0.00 S ATOM 31 CE MET A 3 -19.461 1.873 -16.148 1.00 0.00 C ATOM 0 H MET A 3 -19.262 7.788 -13.489 1.00 0.00 H new ATOM 0 HA MET A 3 -19.515 5.550 -13.128 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.685 5.268 -15.404 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.024 5.366 -14.855 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.309 3.061 -15.140 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.592 3.244 -13.420 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.404 1.384 -16.391 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.193 2.563 -16.948 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.679 1.121 -16.041 1.00 0.00 H new ATOM 41 N THR A 4 -16.377 5.113 -12.255 1.00 0.00 N ATOM 42 CA THR A 4 -15.452 4.747 -11.148 1.00 0.00 C ATOM 43 C THR A 4 -14.729 6.011 -10.611 1.00 0.00 C ATOM 44 O THR A 4 -13.768 6.498 -11.224 1.00 0.00 O ATOM 45 CB THR A 4 -14.501 3.586 -11.574 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.964 3.869 -12.863 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.083 2.159 -11.606 1.00 0.00 C ATOM 0 H THR A 4 -15.952 5.051 -13.180 1.00 0.00 H new ATOM 0 HA THR A 4 -16.021 4.351 -10.307 1.00 0.00 H new ATOM 0 HB THR A 4 -13.757 3.565 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.722 4.817 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.310 1.458 -11.919 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.437 1.888 -10.611 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.914 2.121 -12.310 1.00 0.00 H new ATOM 55 N ASP A 5 -15.204 6.543 -9.471 1.00 0.00 N ATOM 56 CA ASP A 5 -14.586 7.704 -8.778 1.00 0.00 C ATOM 57 C ASP A 5 -13.477 7.207 -7.809 1.00 0.00 C ATOM 58 O ASP A 5 -13.376 7.689 -6.669 1.00 0.00 O ATOM 59 CB ASP A 5 -15.661 8.562 -8.044 1.00 0.00 C ATOM 60 CG ASP A 5 -17.109 8.395 -8.535 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.326 8.306 -9.764 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.031 8.346 -7.691 1.00 0.00 O ATOM 0 H ASP A 5 -16.032 6.183 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.123 8.354 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.628 8.318 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.385 9.612 -8.139 1.00 0.00 H new ATOM 67 N GLN A 6 -12.630 6.271 -8.275 1.00 0.00 N ATOM 68 CA GLN A 6 -11.456 5.772 -7.512 1.00 0.00 C ATOM 69 C GLN A 6 -10.254 6.712 -7.801 1.00 0.00 C ATOM 70 O GLN A 6 -9.631 7.247 -6.877 1.00 0.00 O ATOM 71 CB GLN A 6 -11.158 4.292 -7.885 1.00 0.00 C ATOM 72 CG GLN A 6 -10.439 4.055 -9.235 1.00 0.00 C ATOM 73 CD GLN A 6 -10.261 2.573 -9.610 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.049 2.006 -10.367 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.234 1.915 -9.092 1.00 0.00 N ATOM 0 H GLN A 6 -12.735 5.835 -9.191 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.656 5.784 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.550 3.856 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.102 3.747 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.003 4.552 -10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.458 4.528 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.586 2.393 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.092 0.931 -9.320 1.00 0.00 H new ATOM 84 N GLN A 7 -9.925 6.875 -9.097 1.00 0.00 N ATOM 85 CA GLN A 7 -8.800 7.734 -9.553 1.00 0.00 C ATOM 86 C GLN A 7 -9.105 9.205 -9.163 1.00 0.00 C ATOM 87 O GLN A 7 -8.184 9.997 -8.924 1.00 0.00 O ATOM 88 CB GLN A 7 -8.591 7.627 -11.090 1.00 0.00 C ATOM 89 CG GLN A 7 -8.735 8.943 -11.890 1.00 0.00 C ATOM 90 CD GLN A 7 -9.551 8.762 -13.181 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.016 8.826 -14.288 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.851 8.530 -13.073 1.00 0.00 N ATOM 0 H GLN A 7 -10.426 6.419 -9.860 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.883 7.396 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.596 7.221 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.307 6.906 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.215 9.695 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.744 9.322 -12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.285 8.479 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.418 8.403 -13.911 1.00 0.00 H new ATOM 101 N ALA A 8 -10.402 9.560 -9.106 1.00 0.00 N ATOM 102 CA ALA A 8 -10.854 10.931 -8.747 1.00 0.00 C ATOM 103 C ALA A 8 -10.472 11.248 -7.275 1.00 0.00 C ATOM 104 O ALA A 8 -10.187 12.401 -6.932 1.00 0.00 O ATOM 105 CB ALA A 8 -12.373 11.039 -8.984 1.00 0.00 C ATOM 0 H ALA A 8 -11.167 8.915 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.357 11.669 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.712 12.042 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.592 10.844 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.891 10.308 -8.363 1.00 0.00 H new ATOM 111 N GLU A 9 -10.502 10.213 -6.415 1.00 0.00 N ATOM 112 CA GLU A 9 -10.254 10.355 -4.956 1.00 0.00 C ATOM 113 C GLU A 9 -8.749 10.654 -4.721 1.00 0.00 C ATOM 114 O GLU A 9 -8.388 11.715 -4.197 1.00 0.00 O ATOM 115 CB GLU A 9 -10.720 9.097 -4.166 1.00 0.00 C ATOM 116 CG GLU A 9 -12.225 9.018 -3.818 1.00 0.00 C ATOM 117 CD GLU A 9 -12.532 9.448 -2.381 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.665 10.665 -2.128 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.639 8.569 -1.497 1.00 0.00 O ATOM 0 H GLU A 9 -10.698 9.255 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.845 11.189 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.457 8.213 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.152 9.048 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.785 9.650 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.573 7.996 -3.968 1.00 0.00 H new ATOM 126 N ALA A 10 -7.884 9.691 -5.090 1.00 0.00 N ATOM 127 CA ALA A 10 -6.416 9.786 -4.866 1.00 0.00 C ATOM 128 C ALA A 10 -5.828 11.009 -5.623 1.00 0.00 C ATOM 129 O ALA A 10 -4.810 11.575 -5.208 1.00 0.00 O ATOM 130 CB ALA A 10 -5.755 8.466 -5.309 1.00 0.00 C ATOM 0 H ALA A 10 -8.173 8.828 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.211 9.939 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.679 8.526 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.163 7.641 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.955 8.296 -6.367 1.00 0.00 H new ATOM 136 N ARG A 11 -6.466 11.379 -6.749 1.00 0.00 N ATOM 137 CA ARG A 11 -5.977 12.453 -7.654 1.00 0.00 C ATOM 138 C ARG A 11 -6.223 13.820 -6.957 1.00 0.00 C ATOM 139 O ARG A 11 -5.350 14.696 -6.964 1.00 0.00 O ATOM 140 CB ARG A 11 -6.696 12.381 -9.030 1.00 0.00 C ATOM 141 CG ARG A 11 -5.971 11.539 -10.106 1.00 0.00 C ATOM 142 CD ARG A 11 -4.802 12.295 -10.765 1.00 0.00 C ATOM 143 NE ARG A 11 -4.047 11.430 -11.706 1.00 0.00 N ATOM 144 CZ ARG A 11 -3.310 11.883 -12.740 1.00 0.00 C ATOM 145 NH1 ARG A 11 -2.730 13.075 -12.697 1.00 0.00 N ATOM 146 NH2 ARG A 11 -3.155 11.158 -13.840 1.00 0.00 N ATOM 0 H ARG A 11 -7.335 10.946 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.911 12.328 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.694 11.969 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.824 13.395 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.595 10.622 -9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.686 11.244 -10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.186 13.164 -11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.128 12.667 -9.993 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.089 10.421 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.838 13.665 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.176 13.401 -13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.597 10.242 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.594 11.517 -14.612 1.00 0.00 H new ATOM 160 N ALA A 12 -7.432 13.988 -6.387 1.00 0.00 N ATOM 161 CA ALA A 12 -7.851 15.265 -5.747 1.00 0.00 C ATOM 162 C ALA A 12 -6.951 15.558 -4.516 1.00 0.00 C ATOM 163 O ALA A 12 -6.683 16.721 -4.192 1.00 0.00 O ATOM 164 CB ALA A 12 -9.341 15.181 -5.361 1.00 0.00 C ATOM 0 H ALA A 12 -8.143 13.257 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.730 16.091 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.649 16.116 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.940 15.010 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.490 14.358 -4.662 1.00 0.00 H new ATOM 170 N PHE A 13 -6.488 14.487 -3.845 1.00 0.00 N ATOM 171 CA PHE A 13 -5.611 14.596 -2.649 1.00 0.00 C ATOM 172 C PHE A 13 -4.200 15.080 -3.081 1.00 0.00 C ATOM 173 O PHE A 13 -3.658 16.037 -2.516 1.00 0.00 O ATOM 174 CB PHE A 13 -5.589 13.226 -1.910 1.00 0.00 C ATOM 175 CG PHE A 13 -4.960 13.250 -0.503 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.645 14.467 0.112 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.705 12.053 0.177 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.074 14.485 1.383 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.135 12.074 1.448 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.817 13.289 2.048 1.00 0.00 C ATOM 0 H PHE A 13 -6.705 13.526 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.995 15.337 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.612 12.859 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.042 12.509 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.845 15.396 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.951 11.109 -0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.831 15.427 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.940 11.148 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.370 13.304 3.031 1.00 0.00 H new ATOM 190 N LEU A 14 -3.624 14.401 -4.091 1.00 0.00 N ATOM 191 CA LEU A 14 -2.249 14.680 -4.584 1.00 0.00 C ATOM 192 C LEU A 14 -2.324 15.895 -5.549 1.00 0.00 C ATOM 193 O LEU A 14 -3.417 16.352 -5.905 1.00 0.00 O ATOM 194 CB LEU A 14 -1.641 13.425 -5.279 1.00 0.00 C ATOM 195 CG LEU A 14 -1.727 12.071 -4.517 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.101 10.917 -5.469 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.423 11.729 -3.767 1.00 0.00 C ATOM 0 H LEU A 14 -4.091 13.645 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.589 14.919 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.136 13.301 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.590 13.630 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.515 12.191 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.153 9.984 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.070 11.121 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.345 10.829 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.538 10.775 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.399 11.660 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.207 12.510 -3.038 1.00 0.00 H new ATOM 209 N SER A 15 -1.148 16.384 -5.983 1.00 0.00 N ATOM 210 CA SER A 15 -1.042 17.509 -6.950 1.00 0.00 C ATOM 211 C SER A 15 -0.455 16.994 -8.293 1.00 0.00 C ATOM 212 O SER A 15 -0.221 15.792 -8.461 1.00 0.00 O ATOM 213 CB SER A 15 -0.190 18.641 -6.331 1.00 0.00 C ATOM 214 OG SER A 15 -0.601 19.919 -6.804 1.00 0.00 O ATOM 0 H SER A 15 -0.246 16.018 -5.680 1.00 0.00 H new ATOM 0 HA SER A 15 -2.029 17.919 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.274 18.609 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.861 18.482 -6.574 1.00 0.00 H new ATOM 0 HG SER A 15 -0.045 20.614 -6.394 1.00 0.00 H new ATOM 220 N GLU A 16 -0.222 17.924 -9.238 1.00 0.00 N ATOM 221 CA GLU A 16 0.340 17.601 -10.576 1.00 0.00 C ATOM 222 C GLU A 16 1.860 17.326 -10.420 1.00 0.00 C ATOM 223 O GLU A 16 2.415 16.447 -11.089 1.00 0.00 O ATOM 224 CB GLU A 16 0.013 18.737 -11.588 1.00 0.00 C ATOM 225 CG GLU A 16 0.118 18.377 -13.089 1.00 0.00 C ATOM 226 CD GLU A 16 -0.172 16.906 -13.403 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.760 16.075 -13.323 1.00 0.00 O ATOM 228 OE2 GLU A 16 -1.332 16.575 -13.735 1.00 0.00 O ATOM 0 H GLU A 16 -0.414 18.917 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.117 16.700 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.000 19.087 -11.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.684 19.573 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.578 19.001 -13.650 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.120 18.621 -13.441 1.00 0.00 H new ATOM 235 N GLU A 17 2.513 18.096 -9.526 1.00 0.00 N ATOM 236 CA GLU A 17 3.982 18.013 -9.304 1.00 0.00 C ATOM 237 C GLU A 17 4.265 16.807 -8.367 1.00 0.00 C ATOM 238 O GLU A 17 5.281 16.118 -8.514 1.00 0.00 O ATOM 239 CB GLU A 17 4.536 19.364 -8.763 1.00 0.00 C ATOM 240 CG GLU A 17 4.717 20.500 -9.797 1.00 0.00 C ATOM 241 CD GLU A 17 5.664 21.616 -9.342 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.841 21.798 -8.117 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.237 22.313 -10.208 1.00 0.00 O ATOM 0 H GLU A 17 2.048 18.789 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 17 4.508 17.841 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.865 19.719 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.501 19.173 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.095 20.074 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.742 20.934 -10.019 1.00 0.00 H new ATOM 250 N MET A 18 3.357 16.575 -7.400 1.00 0.00 N ATOM 251 CA MET A 18 3.442 15.420 -6.468 1.00 0.00 C ATOM 252 C MET A 18 3.448 14.121 -7.320 1.00 0.00 C ATOM 253 O MET A 18 4.160 13.161 -7.003 1.00 0.00 O ATOM 254 CB MET A 18 2.284 15.438 -5.430 1.00 0.00 C ATOM 255 CG MET A 18 2.647 14.959 -4.012 1.00 0.00 C ATOM 256 SD MET A 18 1.597 15.782 -2.793 1.00 0.00 S ATOM 257 CE MET A 18 2.360 15.243 -1.248 1.00 0.00 C ATOM 0 H MET A 18 2.548 17.174 -7.238 1.00 0.00 H new ATOM 0 HA MET A 18 4.360 15.475 -5.883 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.898 16.455 -5.362 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.473 14.814 -5.807 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.522 13.879 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.695 15.173 -3.804 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.818 15.673 -0.405 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.325 14.155 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.398 15.575 -1.220 1.00 0.00 H new ATOM 267 N ILE A 19 2.632 14.106 -8.391 1.00 0.00 N ATOM 268 CA ILE A 19 2.436 12.910 -9.253 1.00 0.00 C ATOM 269 C ILE A 19 3.822 12.585 -9.873 1.00 0.00 C ATOM 270 O ILE A 19 4.158 11.412 -10.079 1.00 0.00 O ATOM 271 CB ILE A 19 1.275 13.120 -10.296 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.131 12.768 -9.713 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.513 12.340 -11.618 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.295 12.964 -8.197 1.00 0.00 C ATOM 0 H ILE A 19 2.089 14.917 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 19 2.096 12.047 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 19 1.287 14.186 -10.524 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.877 13.378 -10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.352 11.728 -9.952 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.683 12.520 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.442 12.678 -12.078 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.582 11.273 -11.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.308 12.690 -7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.420 12.333 -7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.113 14.008 -7.943 1.00 0.00 H new ATOM 286 N ALA A 20 4.602 13.633 -10.195 1.00 0.00 N ATOM 287 CA ALA A 20 5.914 13.490 -10.883 1.00 0.00 C ATOM 288 C ALA A 20 6.847 12.549 -10.073 1.00 0.00 C ATOM 289 O ALA A 20 7.562 11.720 -10.649 1.00 0.00 O ATOM 290 CB ALA A 20 6.535 14.887 -11.075 1.00 0.00 C ATOM 0 H ALA A 20 4.350 14.600 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 20 5.774 13.037 -11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.497 14.791 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.868 15.502 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.680 15.358 -10.103 1.00 0.00 H new ATOM 296 N GLU A 21 6.850 12.714 -8.737 1.00 0.00 N ATOM 297 CA GLU A 21 7.765 11.973 -7.829 1.00 0.00 C ATOM 298 C GLU A 21 7.551 10.451 -8.051 1.00 0.00 C ATOM 299 O GLU A 21 8.498 9.660 -7.982 1.00 0.00 O ATOM 300 CB GLU A 21 7.546 12.426 -6.357 1.00 0.00 C ATOM 301 CG GLU A 21 7.811 13.918 -6.047 1.00 0.00 C ATOM 302 CD GLU A 21 7.340 14.363 -4.658 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.313 13.524 -3.730 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.999 15.555 -4.488 1.00 0.00 O ATOM 0 H GLU A 21 6.225 13.359 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 21 8.808 12.195 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.517 12.197 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.190 11.825 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.880 14.112 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.313 14.528 -6.800 1.00 0.00 H new ATOM 311 N PHE A 22 6.286 10.058 -8.288 1.00 0.00 N ATOM 312 CA PHE A 22 5.884 8.634 -8.428 1.00 0.00 C ATOM 313 C PHE A 22 6.195 8.162 -9.875 1.00 0.00 C ATOM 314 O PHE A 22 6.411 6.966 -10.109 1.00 0.00 O ATOM 315 CB PHE A 22 4.381 8.451 -8.061 1.00 0.00 C ATOM 316 CG PHE A 22 3.996 8.897 -6.635 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.922 10.258 -6.315 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.740 7.946 -5.640 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.655 10.659 -5.008 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.467 8.349 -4.335 1.00 0.00 C ATOM 321 CZ PHE A 22 3.434 9.704 -4.018 1.00 0.00 C ATOM 0 H PHE A 22 5.510 10.712 -8.389 1.00 0.00 H new ATOM 0 HA PHE A 22 6.453 8.015 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.778 9.011 -8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.120 7.399 -8.179 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.073 11.000 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.754 6.894 -5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.619 11.710 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.281 7.610 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.237 10.016 -3.003 1.00 0.00 H new ATOM 331 N LYS A 23 6.184 9.104 -10.836 1.00 0.00 N ATOM 332 CA LYS A 23 6.430 8.815 -12.275 1.00 0.00 C ATOM 333 C LYS A 23 7.732 7.976 -12.382 1.00 0.00 C ATOM 334 O LYS A 23 7.783 6.976 -13.109 1.00 0.00 O ATOM 335 CB LYS A 23 6.539 10.126 -13.107 1.00 0.00 C ATOM 336 CG LYS A 23 5.416 10.412 -14.133 1.00 0.00 C ATOM 337 CD LYS A 23 5.864 11.201 -15.381 1.00 0.00 C ATOM 338 CE LYS A 23 4.975 10.929 -16.608 1.00 0.00 C ATOM 339 NZ LYS A 23 5.539 9.867 -17.459 1.00 0.00 N ATOM 0 H LYS A 23 6.005 10.090 -10.644 1.00 0.00 H new ATOM 0 HA LYS A 23 5.590 8.255 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.582 10.964 -12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.488 10.108 -13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.987 9.463 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.621 10.968 -13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.849 12.267 -15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.895 10.940 -15.620 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.977 10.641 -16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.867 11.844 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.915 9.709 -18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.481 10.153 -17.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.619 8.988 -16.910 1.00 0.00 H new ATOM 353 N ALA A 24 8.787 8.418 -11.672 1.00 0.00 N ATOM 354 CA ALA A 24 10.131 7.785 -11.736 1.00 0.00 C ATOM 355 C ALA A 24 10.010 6.257 -11.483 1.00 0.00 C ATOM 356 O ALA A 24 10.348 5.438 -12.346 1.00 0.00 O ATOM 357 CB ALA A 24 11.059 8.466 -10.712 1.00 0.00 C ATOM 0 H ALA A 24 8.740 9.218 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 24 10.563 7.917 -12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.046 8.006 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.143 9.527 -10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.645 8.347 -9.711 1.00 0.00 H new ATOM 363 N ALA A 25 9.523 5.892 -10.282 1.00 0.00 N ATOM 364 CA ALA A 25 9.403 4.477 -9.845 1.00 0.00 C ATOM 365 C ALA A 25 8.381 3.704 -10.725 1.00 0.00 C ATOM 366 O ALA A 25 8.413 2.465 -10.762 1.00 0.00 O ATOM 367 CB ALA A 25 9.003 4.448 -8.355 1.00 0.00 C ATOM 0 H ALA A 25 9.201 6.563 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 25 10.363 3.976 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.912 3.414 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.766 4.953 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.048 4.956 -8.225 1.00 0.00 H new ATOM 373 N PHE A 26 7.475 4.433 -11.403 1.00 0.00 N ATOM 374 CA PHE A 26 6.369 3.820 -12.190 1.00 0.00 C ATOM 375 C PHE A 26 7.000 2.966 -13.324 1.00 0.00 C ATOM 376 O PHE A 26 6.617 1.808 -13.529 1.00 0.00 O ATOM 377 CB PHE A 26 5.396 4.903 -12.745 1.00 0.00 C ATOM 378 CG PHE A 26 4.472 4.425 -13.889 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.368 3.612 -13.608 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.716 4.818 -15.209 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.517 3.204 -14.633 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.864 4.408 -16.232 1.00 0.00 C ATOM 383 CZ PHE A 26 2.765 3.603 -15.943 1.00 0.00 C ATOM 0 H PHE A 26 7.481 5.453 -11.426 1.00 0.00 H new ATOM 0 HA PHE A 26 5.765 3.179 -11.548 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.776 5.268 -11.926 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.983 5.749 -13.102 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.175 3.300 -12.592 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.568 5.442 -15.436 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.665 2.578 -14.411 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.056 4.715 -17.250 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.104 3.288 -16.737 1.00 0.00 H new ATOM 393 N ASP A 27 7.953 3.563 -14.064 1.00 0.00 N ATOM 394 CA ASP A 27 8.620 2.897 -15.215 1.00 0.00 C ATOM 395 C ASP A 27 9.519 1.751 -14.674 1.00 0.00 C ATOM 396 O ASP A 27 9.657 0.705 -15.319 1.00 0.00 O ATOM 397 CB ASP A 27 9.407 3.916 -16.090 1.00 0.00 C ATOM 398 CG ASP A 27 10.698 4.483 -15.475 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.663 3.711 -15.278 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.752 5.701 -15.195 1.00 0.00 O ATOM 0 H ASP A 27 8.285 4.512 -13.889 1.00 0.00 H new ATOM 0 HA ASP A 27 7.869 2.466 -15.877 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.660 3.434 -17.034 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.745 4.749 -16.325 1.00 0.00 H new ATOM 405 N MET A 28 10.096 1.956 -13.472 1.00 0.00 N ATOM 406 CA MET A 28 11.016 0.970 -12.840 1.00 0.00 C ATOM 407 C MET A 28 10.241 -0.369 -12.692 1.00 0.00 C ATOM 408 O MET A 28 10.789 -1.448 -12.946 1.00 0.00 O ATOM 409 CB MET A 28 11.573 1.478 -11.480 1.00 0.00 C ATOM 410 CG MET A 28 12.931 0.892 -11.050 1.00 0.00 C ATOM 411 SD MET A 28 13.475 1.659 -9.507 1.00 0.00 S ATOM 412 CE MET A 28 12.659 0.610 -8.285 1.00 0.00 C ATOM 0 H MET A 28 9.944 2.796 -12.913 1.00 0.00 H new ATOM 0 HA MET A 28 11.893 0.823 -13.471 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.666 2.563 -11.530 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.841 1.256 -10.704 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.846 -0.187 -10.919 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.673 1.061 -11.831 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.902 0.962 -7.283 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.580 0.652 -8.432 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.001 -0.418 -8.401 1.00 0.00 H new ATOM 422 N PHE A 29 8.961 -0.274 -12.287 1.00 0.00 N ATOM 423 CA PHE A 29 8.084 -1.458 -12.083 1.00 0.00 C ATOM 424 C PHE A 29 7.774 -2.081 -13.473 1.00 0.00 C ATOM 425 O PHE A 29 7.718 -3.308 -13.618 1.00 0.00 O ATOM 426 CB PHE A 29 6.787 -1.062 -11.319 1.00 0.00 C ATOM 427 CG PHE A 29 6.899 -1.045 -9.781 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.130 -1.282 -9.158 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.772 -0.780 -8.992 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.229 -1.265 -7.769 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.875 -0.763 -7.603 1.00 0.00 C ATOM 432 CZ PHE A 29 7.102 -1.010 -6.993 1.00 0.00 C ATOM 0 H PHE A 29 8.502 0.615 -12.091 1.00 0.00 H new ATOM 0 HA PHE A 29 8.590 -2.200 -11.466 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.477 -0.072 -11.654 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.995 -1.756 -11.600 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.007 -1.479 -9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.819 -0.588 -9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.181 -1.450 -7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.003 -0.558 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.179 -1.004 -5.916 1.00 0.00 H new ATOM 442 N ASP A 30 7.606 -1.214 -14.488 1.00 0.00 N ATOM 443 CA ASP A 30 7.313 -1.641 -15.883 1.00 0.00 C ATOM 444 C ASP A 30 8.585 -2.305 -16.477 1.00 0.00 C ATOM 445 O ASP A 30 9.440 -2.806 -15.737 1.00 0.00 O ATOM 446 CB ASP A 30 6.795 -0.456 -16.748 1.00 0.00 C ATOM 447 CG ASP A 30 5.794 -0.816 -17.860 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.385 -1.995 -17.949 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.417 0.081 -18.646 1.00 0.00 O ATOM 0 H ASP A 30 7.668 -0.202 -14.374 1.00 0.00 H new ATOM 0 HA ASP A 30 6.507 -2.374 -15.882 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.326 0.272 -16.086 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.654 0.036 -17.205 1.00 0.00 H new ATOM 454 N ALA A 31 8.694 -2.295 -17.819 1.00 0.00 N ATOM 455 CA ALA A 31 9.849 -2.889 -18.545 1.00 0.00 C ATOM 456 C ALA A 31 10.086 -2.129 -19.879 1.00 0.00 C ATOM 457 O ALA A 31 11.228 -1.815 -20.232 1.00 0.00 O ATOM 458 CB ALA A 31 9.582 -4.389 -18.776 1.00 0.00 C ATOM 0 H ALA A 31 7.993 -1.880 -18.433 1.00 0.00 H new ATOM 0 HA ALA A 31 10.758 -2.792 -17.951 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.425 -4.831 -19.308 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.457 -4.888 -17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.675 -4.510 -19.369 1.00 0.00 H new ATOM 464 N ASP A 32 8.988 -1.838 -20.601 1.00 0.00 N ATOM 465 CA ASP A 32 9.036 -1.190 -21.939 1.00 0.00 C ATOM 466 C ASP A 32 8.818 0.337 -21.764 1.00 0.00 C ATOM 467 O ASP A 32 8.215 0.992 -22.624 1.00 0.00 O ATOM 468 CB ASP A 32 8.015 -1.833 -22.923 1.00 0.00 C ATOM 469 CG ASP A 32 6.862 -2.622 -22.280 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.820 -2.013 -21.950 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.999 -3.852 -22.097 1.00 0.00 O ATOM 0 H ASP A 32 8.041 -2.042 -20.280 1.00 0.00 H new ATOM 0 HA ASP A 32 10.016 -1.350 -22.389 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.588 -1.042 -23.540 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.557 -2.501 -23.592 1.00 0.00 H new ATOM 476 N GLY A 33 9.341 0.899 -20.658 1.00 0.00 N ATOM 477 CA GLY A 33 9.314 2.362 -20.402 1.00 0.00 C ATOM 478 C GLY A 33 7.926 2.991 -20.681 1.00 0.00 C ATOM 479 O GLY A 33 7.663 3.494 -21.781 1.00 0.00 O ATOM 0 H GLY A 33 9.792 0.361 -19.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.592 2.551 -19.365 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.062 2.850 -21.027 1.00 0.00 H new ATOM 483 N GLY A 34 7.049 2.986 -19.658 1.00 0.00 N ATOM 484 CA GLY A 34 5.723 3.649 -19.733 1.00 0.00 C ATOM 485 C GLY A 34 4.784 2.864 -20.683 1.00 0.00 C ATOM 486 O GLY A 34 5.206 2.376 -21.738 1.00 0.00 O ATOM 0 H GLY A 34 7.232 2.529 -18.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.280 3.706 -18.739 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.840 4.672 -20.090 1.00 0.00 H new ATOM 490 N GLY A 35 3.499 2.750 -20.291 1.00 0.00 N ATOM 491 CA GLY A 35 2.452 2.125 -21.136 1.00 0.00 C ATOM 492 C GLY A 35 1.709 1.018 -20.344 1.00 0.00 C ATOM 493 O GLY A 35 1.494 -0.088 -20.856 1.00 0.00 O ATOM 0 H GLY A 35 3.156 3.084 -19.390 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.742 2.883 -21.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.904 1.699 -22.032 1.00 0.00 H new ATOM 497 N ASP A 36 1.324 1.339 -19.093 1.00 0.00 N ATOM 498 CA ASP A 36 0.699 0.365 -18.160 1.00 0.00 C ATOM 499 C ASP A 36 1.713 -0.777 -17.880 1.00 0.00 C ATOM 500 O ASP A 36 2.710 -0.927 -18.597 1.00 0.00 O ATOM 501 CB ASP A 36 -0.661 -0.161 -18.706 1.00 0.00 C ATOM 502 CG ASP A 36 -1.204 0.544 -19.961 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.423 1.775 -19.917 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.419 -0.134 -20.990 1.00 0.00 O ATOM 0 H ASP A 36 1.434 2.273 -18.698 1.00 0.00 H new ATOM 0 HA ASP A 36 0.463 0.859 -17.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.554 -1.223 -18.928 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.405 -0.074 -17.914 1.00 0.00 H new ATOM 509 N ILE A 37 1.461 -1.559 -16.813 1.00 0.00 N ATOM 510 CA ILE A 37 2.310 -2.709 -16.402 1.00 0.00 C ATOM 511 C ILE A 37 1.650 -4.029 -16.888 1.00 0.00 C ATOM 512 O ILE A 37 0.725 -4.006 -17.711 1.00 0.00 O ATOM 513 CB ILE A 37 2.652 -2.732 -14.865 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.320 -1.421 -14.085 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.115 -3.184 -14.626 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.516 -0.705 -13.437 1.00 0.00 C ATOM 0 H ILE A 37 0.657 -1.414 -16.202 1.00 0.00 H new ATOM 0 HA ILE A 37 3.281 -2.596 -16.885 1.00 0.00 H new ATOM 0 HB ILE A 37 1.975 -3.473 -14.441 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.833 -0.727 -14.770 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.597 -1.658 -13.305 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.324 -3.191 -13.556 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.257 -4.187 -15.030 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.795 -2.493 -15.124 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.169 0.191 -12.923 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.994 -1.372 -12.720 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.234 -0.426 -14.208 1.00 0.00 H new ATOM 528 N SER A 38 2.113 -5.173 -16.349 1.00 0.00 N ATOM 529 CA SER A 38 1.510 -6.504 -16.630 1.00 0.00 C ATOM 530 C SER A 38 1.820 -7.477 -15.459 1.00 0.00 C ATOM 531 O SER A 38 2.232 -7.048 -14.375 1.00 0.00 O ATOM 532 CB SER A 38 2.029 -7.028 -17.988 1.00 0.00 C ATOM 533 OG SER A 38 3.181 -7.849 -17.826 1.00 0.00 O ATOM 0 H SER A 38 2.908 -5.209 -15.711 1.00 0.00 H new ATOM 0 HA SER A 38 0.426 -6.422 -16.703 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.243 -7.597 -18.484 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.270 -6.185 -18.636 1.00 0.00 H new ATOM 0 HG SER A 38 3.417 -8.255 -18.686 1.00 0.00 H new ATOM 539 N THR A 39 1.642 -8.787 -15.713 1.00 0.00 N ATOM 540 CA THR A 39 1.885 -9.857 -14.710 1.00 0.00 C ATOM 541 C THR A 39 3.392 -10.230 -14.727 1.00 0.00 C ATOM 542 O THR A 39 4.083 -10.118 -13.704 1.00 0.00 O ATOM 543 CB THR A 39 0.957 -11.093 -14.935 1.00 0.00 C ATOM 544 OG1 THR A 39 0.671 -11.263 -16.321 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.383 -11.054 -14.175 1.00 0.00 C ATOM 0 H THR A 39 1.326 -9.140 -16.616 1.00 0.00 H new ATOM 0 HA THR A 39 1.630 -9.484 -13.718 1.00 0.00 H new ATOM 0 HB THR A 39 1.528 -11.930 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.090 -12.043 -16.442 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.954 -11.956 -14.397 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.192 -11.001 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.952 -10.178 -14.486 1.00 0.00 H new ATOM 553 N LYS A 40 3.891 -10.680 -15.894 1.00 0.00 N ATOM 554 CA LYS A 40 5.313 -11.082 -16.065 1.00 0.00 C ATOM 555 C LYS A 40 6.221 -9.889 -15.662 1.00 0.00 C ATOM 556 O LYS A 40 7.238 -10.071 -14.982 1.00 0.00 O ATOM 557 CB LYS A 40 5.535 -11.575 -17.525 1.00 0.00 C ATOM 558 CG LYS A 40 6.944 -12.122 -17.867 1.00 0.00 C ATOM 559 CD LYS A 40 8.072 -11.120 -18.211 1.00 0.00 C ATOM 560 CE LYS A 40 8.497 -11.033 -19.692 1.00 0.00 C ATOM 561 NZ LYS A 40 7.365 -10.960 -20.633 1.00 0.00 N ATOM 0 H LYS A 40 3.332 -10.777 -16.741 1.00 0.00 H new ATOM 0 HA LYS A 40 5.577 -11.916 -15.415 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.806 -12.358 -17.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.318 -10.748 -18.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.281 -12.719 -17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.837 -12.801 -18.713 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.755 -10.128 -17.890 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.950 -11.381 -17.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.128 -10.154 -19.828 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.106 -11.903 -19.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.717 -10.718 -21.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.882 -11.881 -20.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.696 -10.230 -20.315 1.00 0.00 H new ATOM 575 N GLU A 41 5.853 -8.677 -16.118 1.00 0.00 N ATOM 576 CA GLU A 41 6.668 -7.450 -15.921 1.00 0.00 C ATOM 577 C GLU A 41 6.909 -7.237 -14.401 1.00 0.00 C ATOM 578 O GLU A 41 8.056 -7.107 -13.956 1.00 0.00 O ATOM 579 CB GLU A 41 6.004 -6.218 -16.601 1.00 0.00 C ATOM 580 CG GLU A 41 5.632 -6.337 -18.100 1.00 0.00 C ATOM 581 CD GLU A 41 5.053 -5.055 -18.708 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.190 -4.417 -18.065 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.456 -4.683 -19.832 1.00 0.00 O ATOM 0 H GLU A 41 4.987 -8.515 -16.632 1.00 0.00 H new ATOM 0 HA GLU A 41 7.637 -7.572 -16.404 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.096 -5.979 -16.048 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.678 -5.369 -16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.521 -6.623 -18.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.907 -7.142 -18.220 1.00 0.00 H new ATOM 590 N LEU A 42 5.811 -7.176 -13.625 1.00 0.00 N ATOM 591 CA LEU A 42 5.859 -6.867 -12.171 1.00 0.00 C ATOM 592 C LEU A 42 6.725 -7.951 -11.474 1.00 0.00 C ATOM 593 O LEU A 42 7.452 -7.662 -10.516 1.00 0.00 O ATOM 594 CB LEU A 42 4.422 -6.799 -11.570 1.00 0.00 C ATOM 595 CG LEU A 42 4.188 -5.817 -10.386 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.748 -5.265 -10.351 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.527 -6.480 -9.035 1.00 0.00 C ATOM 0 H LEU A 42 4.868 -7.337 -13.979 1.00 0.00 H new ATOM 0 HA LEU A 42 6.309 -5.888 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.734 -6.531 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.148 -7.800 -11.237 1.00 0.00 H new ATOM 0 HG LEU A 42 4.862 -4.976 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.639 -4.585 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.541 -4.728 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.044 -6.091 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.353 -5.769 -8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.894 -7.355 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.574 -6.785 -9.032 1.00 0.00 H new ATOM 609 N GLY A 43 6.612 -9.207 -11.949 1.00 0.00 N ATOM 610 CA GLY A 43 7.285 -10.373 -11.323 1.00 0.00 C ATOM 611 C GLY A 43 8.792 -10.078 -11.106 1.00 0.00 C ATOM 612 O GLY A 43 9.365 -10.454 -10.074 1.00 0.00 O ATOM 0 H GLY A 43 6.057 -9.446 -12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.812 -10.604 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.168 -11.252 -11.957 1.00 0.00 H new ATOM 616 N THR A 44 9.417 -9.407 -12.090 1.00 0.00 N ATOM 617 CA THR A 44 10.879 -9.141 -12.093 1.00 0.00 C ATOM 618 C THR A 44 11.235 -8.288 -10.843 1.00 0.00 C ATOM 619 O THR A 44 12.109 -8.663 -10.052 1.00 0.00 O ATOM 620 CB THR A 44 11.352 -8.483 -13.427 1.00 0.00 C ATOM 621 OG1 THR A 44 11.140 -9.365 -14.526 1.00 0.00 O ATOM 622 CG2 THR A 44 12.827 -8.038 -13.452 1.00 0.00 C ATOM 0 H THR A 44 8.931 -9.033 -12.905 1.00 0.00 H new ATOM 0 HA THR A 44 11.419 -10.086 -12.035 1.00 0.00 H new ATOM 0 HB THR A 44 10.745 -7.581 -13.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.441 -8.935 -15.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.057 -7.594 -14.421 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.999 -7.303 -12.666 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.471 -8.902 -13.287 1.00 0.00 H new ATOM 630 N VAL A 45 10.564 -7.130 -10.704 1.00 0.00 N ATOM 631 CA VAL A 45 10.852 -6.140 -9.631 1.00 0.00 C ATOM 632 C VAL A 45 10.706 -6.874 -8.269 1.00 0.00 C ATOM 633 O VAL A 45 11.440 -6.583 -7.316 1.00 0.00 O ATOM 634 CB VAL A 45 9.956 -4.857 -9.758 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.414 -4.365 -8.394 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.653 -3.663 -10.457 1.00 0.00 C ATOM 0 H VAL A 45 9.807 -6.848 -11.327 1.00 0.00 H new ATOM 0 HA VAL A 45 11.870 -5.760 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 45 9.131 -5.191 -10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.802 -3.476 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.809 -5.149 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.249 -4.123 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.966 -2.818 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.541 -3.378 -9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.943 -3.952 -11.467 1.00 0.00 H new ATOM 646 N MET A 46 9.750 -7.818 -8.192 1.00 0.00 N ATOM 647 CA MET A 46 9.460 -8.584 -6.950 1.00 0.00 C ATOM 648 C MET A 46 10.743 -9.370 -6.567 1.00 0.00 C ATOM 649 O MET A 46 11.134 -9.409 -5.395 1.00 0.00 O ATOM 650 CB MET A 46 8.229 -9.516 -7.130 1.00 0.00 C ATOM 651 CG MET A 46 6.879 -8.944 -6.657 1.00 0.00 C ATOM 652 SD MET A 46 6.117 -10.064 -5.462 1.00 0.00 S ATOM 653 CE MET A 46 7.111 -9.741 -3.991 1.00 0.00 C ATOM 0 H MET A 46 9.156 -8.076 -8.980 1.00 0.00 H new ATOM 0 HA MET A 46 9.196 -7.904 -6.140 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.143 -9.773 -8.186 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.418 -10.444 -6.590 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.029 -7.964 -6.205 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.215 -8.803 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.878 -10.481 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.169 -9.803 -4.246 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.887 -8.744 -3.612 1.00 0.00 H new ATOM 663 N ARG A 47 11.367 -10.016 -7.569 1.00 0.00 N ATOM 664 CA ARG A 47 12.585 -10.847 -7.373 1.00 0.00 C ATOM 665 C ARG A 47 13.612 -10.048 -6.525 1.00 0.00 C ATOM 666 O ARG A 47 14.407 -10.633 -5.781 1.00 0.00 O ATOM 667 CB ARG A 47 13.187 -11.265 -8.744 1.00 0.00 C ATOM 668 CG ARG A 47 12.201 -11.981 -9.695 1.00 0.00 C ATOM 669 CD ARG A 47 12.865 -13.086 -10.539 1.00 0.00 C ATOM 670 NE ARG A 47 12.067 -13.424 -11.746 1.00 0.00 N ATOM 671 CZ ARG A 47 12.231 -12.864 -12.964 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.147 -11.937 -13.242 1.00 0.00 N ATOM 673 NH2 ARG A 47 11.437 -13.262 -13.941 1.00 0.00 N ATOM 0 H ARG A 47 11.048 -9.981 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 47 12.324 -11.762 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.569 -10.375 -9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.039 -11.921 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.393 -12.417 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.750 -11.245 -10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.860 -12.761 -10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.994 -13.980 -9.928 1.00 0.00 H new ATOM 0 HE ARG A 47 11.340 -14.133 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.779 -11.609 -12.511 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.217 -11.556 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.727 -13.972 -13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.534 -12.859 -14.873 1.00 0.00 H new ATOM 687 N MET A 48 13.598 -8.711 -6.675 1.00 0.00 N ATOM 688 CA MET A 48 14.464 -7.789 -5.893 1.00 0.00 C ATOM 689 C MET A 48 13.732 -7.457 -4.564 1.00 0.00 C ATOM 690 O MET A 48 13.257 -6.331 -4.370 1.00 0.00 O ATOM 691 CB MET A 48 14.812 -6.511 -6.708 1.00 0.00 C ATOM 692 CG MET A 48 16.066 -6.602 -7.597 1.00 0.00 C ATOM 693 SD MET A 48 17.033 -5.081 -7.462 1.00 0.00 S ATOM 694 CE MET A 48 15.988 -3.918 -8.364 1.00 0.00 C ATOM 0 H MET A 48 12.989 -8.233 -7.339 1.00 0.00 H new ATOM 0 HA MET A 48 15.418 -8.267 -5.670 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.959 -6.263 -7.340 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.944 -5.683 -6.011 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.673 -7.456 -7.297 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.775 -6.766 -8.634 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.456 -2.934 -8.365 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.863 -4.262 -9.391 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.013 -3.855 -7.881 1.00 0.00 H new ATOM 704 N LEU A 49 13.677 -8.441 -3.647 1.00 0.00 N ATOM 705 CA LEU A 49 13.079 -8.265 -2.296 1.00 0.00 C ATOM 706 C LEU A 49 13.647 -9.376 -1.373 1.00 0.00 C ATOM 707 O LEU A 49 14.162 -9.100 -0.283 1.00 0.00 O ATOM 708 CB LEU A 49 11.522 -8.309 -2.365 1.00 0.00 C ATOM 709 CG LEU A 49 10.779 -6.974 -2.666 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.246 -7.143 -2.689 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.170 -5.877 -1.657 1.00 0.00 C ATOM 0 H LEU A 49 14.042 -9.379 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 49 13.341 -7.288 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.239 -9.032 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.154 -8.692 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 49 11.094 -6.669 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.777 -6.183 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.971 -7.861 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.905 -7.505 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.635 -4.957 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.909 -6.200 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.244 -5.697 -1.713 1.00 0.00 H new ATOM 723 N GLY A 50 13.521 -10.642 -1.817 1.00 0.00 N ATOM 724 CA GLY A 50 13.989 -11.817 -1.039 1.00 0.00 C ATOM 725 C GLY A 50 13.490 -13.128 -1.700 1.00 0.00 C ATOM 726 O GLY A 50 14.275 -14.060 -1.923 1.00 0.00 O ATOM 0 H GLY A 50 13.098 -10.883 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.078 -11.818 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.621 -11.754 -0.015 1.00 0.00 H new ATOM 730 N GLN A 51 12.187 -13.170 -2.034 1.00 0.00 N ATOM 731 CA GLN A 51 11.528 -14.363 -2.627 1.00 0.00 C ATOM 732 C GLN A 51 11.778 -14.345 -4.160 1.00 0.00 C ATOM 733 O GLN A 51 12.603 -13.568 -4.656 1.00 0.00 O ATOM 734 CB GLN A 51 10.015 -14.377 -2.269 1.00 0.00 C ATOM 735 CG GLN A 51 9.594 -15.306 -1.104 1.00 0.00 C ATOM 736 CD GLN A 51 8.074 -15.415 -0.894 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.289 -15.309 -1.837 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.625 -15.623 0.335 1.00 0.00 N ATOM 0 H GLN A 51 11.555 -12.380 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 51 11.949 -15.282 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.713 -13.359 -2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.456 -14.668 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.995 -16.303 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.050 -14.943 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.282 -15.710 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.622 -15.697 0.506 1.00 0.00 H new ATOM 747 N ASN A 52 11.034 -15.190 -4.899 1.00 0.00 N ATOM 748 CA ASN A 52 11.072 -15.215 -6.385 1.00 0.00 C ATOM 749 C ASN A 52 9.664 -15.606 -6.966 1.00 0.00 C ATOM 750 O ASN A 52 9.400 -16.807 -7.096 1.00 0.00 O ATOM 751 CB ASN A 52 12.192 -16.190 -6.841 1.00 0.00 C ATOM 752 CG ASN A 52 12.720 -15.946 -8.271 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.037 -15.362 -9.112 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.930 -16.390 -8.577 1.00 0.00 N ATOM 0 H ASN A 52 10.393 -15.872 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 52 11.303 -14.223 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.026 -16.115 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.814 -17.210 -6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.303 -16.249 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.489 -16.873 -7.874 1.00 0.00 H new ATOM 761 N PRO A 53 8.743 -14.656 -7.325 1.00 0.00 N ATOM 762 CA PRO A 53 7.449 -14.982 -7.978 1.00 0.00 C ATOM 763 C PRO A 53 7.622 -15.996 -9.142 1.00 0.00 C ATOM 764 O PRO A 53 8.735 -16.215 -9.635 1.00 0.00 O ATOM 765 CB PRO A 53 6.947 -13.595 -8.428 1.00 0.00 C ATOM 766 CG PRO A 53 7.621 -12.561 -7.524 1.00 0.00 C ATOM 767 CD PRO A 53 8.939 -13.204 -7.101 1.00 0.00 C ATOM 0 HA PRO A 53 6.737 -15.487 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.197 -13.415 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.862 -13.532 -8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.791 -11.624 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.000 -12.329 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.772 -12.822 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.165 -12.992 -6.056 1.00 0.00 H new ATOM 775 N THR A 54 6.498 -16.585 -9.594 1.00 0.00 N ATOM 776 CA THR A 54 6.475 -17.575 -10.704 1.00 0.00 C ATOM 777 C THR A 54 5.530 -17.051 -11.821 1.00 0.00 C ATOM 778 O THR A 54 4.804 -16.067 -11.628 1.00 0.00 O ATOM 779 CB THR A 54 6.089 -19.005 -10.209 1.00 0.00 C ATOM 780 OG1 THR A 54 7.162 -19.920 -10.422 1.00 0.00 O ATOM 781 CG2 THR A 54 4.823 -19.602 -10.852 1.00 0.00 C ATOM 0 H THR A 54 5.576 -16.392 -9.203 1.00 0.00 H new ATOM 0 HA THR A 54 7.479 -17.679 -11.116 1.00 0.00 H new ATOM 0 HB THR A 54 5.876 -18.869 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.901 -20.810 -10.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.641 -20.595 -10.442 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.969 -18.959 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.962 -19.674 -11.931 1.00 0.00 H new ATOM 789 N LYS A 55 5.572 -17.707 -12.996 1.00 0.00 N ATOM 790 CA LYS A 55 4.816 -17.271 -14.200 1.00 0.00 C ATOM 791 C LYS A 55 3.301 -17.300 -13.857 1.00 0.00 C ATOM 792 O LYS A 55 2.589 -16.310 -14.062 1.00 0.00 O ATOM 793 CB LYS A 55 5.171 -18.176 -15.419 1.00 0.00 C ATOM 794 CG LYS A 55 5.595 -17.464 -16.727 1.00 0.00 C ATOM 795 CD LYS A 55 7.018 -16.860 -16.715 1.00 0.00 C ATOM 796 CE LYS A 55 8.145 -17.873 -16.433 1.00 0.00 C ATOM 797 NZ LYS A 55 8.498 -18.696 -17.606 1.00 0.00 N ATOM 0 H LYS A 55 6.126 -18.551 -13.144 1.00 0.00 H new ATOM 0 HA LYS A 55 5.088 -16.254 -14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.979 -18.844 -15.120 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.306 -18.801 -15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.527 -18.177 -17.549 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.881 -16.667 -16.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.206 -16.387 -17.679 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.058 -16.074 -15.961 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.031 -17.335 -16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.839 -18.528 -15.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.261 -19.355 -17.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.664 -19.234 -17.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.819 -18.079 -18.379 1.00 0.00 H new ATOM 811 N GLU A 56 2.823 -18.456 -13.361 1.00 0.00 N ATOM 812 CA GLU A 56 1.380 -18.689 -13.085 1.00 0.00 C ATOM 813 C GLU A 56 0.994 -17.914 -11.795 1.00 0.00 C ATOM 814 O GLU A 56 -0.124 -17.397 -11.681 1.00 0.00 O ATOM 815 CB GLU A 56 1.085 -20.215 -13.007 1.00 0.00 C ATOM 816 CG GLU A 56 0.992 -20.969 -14.355 1.00 0.00 C ATOM 817 CD GLU A 56 1.950 -22.159 -14.474 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.065 -22.097 -13.910 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.594 -23.159 -15.136 1.00 0.00 O ATOM 0 H GLU A 56 3.417 -19.255 -13.139 1.00 0.00 H new ATOM 0 HA GLU A 56 0.759 -18.309 -13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.865 -20.683 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.145 -20.354 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.030 -21.324 -14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.197 -20.269 -15.165 1.00 0.00 H new ATOM 826 N GLU A 57 1.923 -17.872 -10.822 1.00 0.00 N ATOM 827 CA GLU A 57 1.670 -17.267 -9.487 1.00 0.00 C ATOM 828 C GLU A 57 1.330 -15.762 -9.668 1.00 0.00 C ATOM 829 O GLU A 57 0.561 -15.191 -8.885 1.00 0.00 O ATOM 830 CB GLU A 57 2.870 -17.497 -8.522 1.00 0.00 C ATOM 831 CG GLU A 57 3.429 -18.937 -8.400 1.00 0.00 C ATOM 832 CD GLU A 57 3.457 -19.481 -6.968 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.403 -19.940 -6.475 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.534 -19.455 -6.332 1.00 0.00 O ATOM 0 H GLU A 57 2.864 -18.251 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 57 0.816 -17.757 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.685 -16.846 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.568 -17.169 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.826 -19.602 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.441 -18.957 -8.804 1.00 0.00 H new ATOM 841 N LEU A 58 1.935 -15.128 -10.689 1.00 0.00 N ATOM 842 CA LEU A 58 1.778 -13.671 -10.947 1.00 0.00 C ATOM 843 C LEU A 58 0.277 -13.368 -11.212 1.00 0.00 C ATOM 844 O LEU A 58 -0.231 -12.311 -10.819 1.00 0.00 O ATOM 845 CB LEU A 58 2.718 -13.268 -12.120 1.00 0.00 C ATOM 846 CG LEU A 58 4.121 -12.718 -11.733 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.766 -13.482 -10.557 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.066 -12.740 -12.950 1.00 0.00 C ATOM 0 H LEU A 58 2.543 -15.600 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 58 2.072 -13.069 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.859 -14.140 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.210 -12.513 -12.719 1.00 0.00 H new ATOM 0 HG LEU A 58 3.967 -11.690 -11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.742 -13.051 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.126 -13.404 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.885 -14.531 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.042 -12.352 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.175 -13.764 -13.308 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.651 -12.120 -13.744 1.00 0.00 H new ATOM 860 N ASP A 59 -0.416 -14.320 -11.863 1.00 0.00 N ATOM 861 CA ASP A 59 -1.836 -14.157 -12.272 1.00 0.00 C ATOM 862 C ASP A 59 -2.694 -13.896 -11.004 1.00 0.00 C ATOM 863 O ASP A 59 -3.706 -13.186 -11.061 1.00 0.00 O ATOM 864 CB ASP A 59 -2.341 -15.377 -13.096 1.00 0.00 C ATOM 865 CG ASP A 59 -3.766 -15.268 -13.663 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.960 -14.563 -14.679 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.693 -15.890 -13.099 1.00 0.00 O ATOM 0 H ASP A 59 -0.016 -15.222 -12.122 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.929 -13.299 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.653 -15.539 -13.926 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.291 -16.263 -12.463 1.00 0.00 H new ATOM 872 N ALA A 60 -2.291 -14.503 -9.872 1.00 0.00 N ATOM 873 CA ALA A 60 -3.031 -14.396 -8.587 1.00 0.00 C ATOM 874 C ALA A 60 -2.767 -13.010 -7.935 1.00 0.00 C ATOM 875 O ALA A 60 -3.675 -12.405 -7.354 1.00 0.00 O ATOM 876 CB ALA A 60 -2.609 -15.556 -7.663 1.00 0.00 C ATOM 0 H ALA A 60 -1.451 -15.079 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.104 -14.473 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.148 -15.483 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.843 -16.507 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.537 -15.499 -7.474 1.00 0.00 H new ATOM 882 N ILE A 61 -1.507 -12.545 -8.021 1.00 0.00 N ATOM 883 CA ILE A 61 -1.077 -11.243 -7.445 1.00 0.00 C ATOM 884 C ILE A 61 -2.013 -10.166 -8.061 1.00 0.00 C ATOM 885 O ILE A 61 -2.444 -9.237 -7.367 1.00 0.00 O ATOM 886 CB ILE A 61 0.462 -10.985 -7.659 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.314 -11.328 -6.396 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.763 -9.534 -8.125 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.158 -10.177 -5.823 1.00 0.00 C ATOM 0 H ILE A 61 -0.756 -13.053 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.178 -11.221 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 61 0.756 -11.667 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.643 -11.685 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.981 -12.153 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.838 -9.410 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.256 -9.343 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.406 -8.829 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.707 -10.528 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.862 -9.831 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.503 -9.355 -5.533 1.00 0.00 H new ATOM 901 N ILE A 62 -2.314 -10.306 -9.365 1.00 0.00 N ATOM 902 CA ILE A 62 -3.104 -9.312 -10.141 1.00 0.00 C ATOM 903 C ILE A 62 -4.594 -9.535 -9.763 1.00 0.00 C ATOM 904 O ILE A 62 -5.389 -8.586 -9.767 1.00 0.00 O ATOM 905 CB ILE A 62 -2.793 -9.393 -11.683 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.301 -9.071 -12.016 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.732 -8.489 -12.529 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.057 -8.301 -13.324 1.00 0.00 C ATOM 0 H ILE A 62 -2.019 -11.111 -9.918 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.830 -8.288 -9.887 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.983 -10.431 -11.957 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.882 -8.493 -11.193 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.748 -10.009 -12.061 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.474 -8.583 -13.584 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.766 -8.798 -12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.615 -7.451 -12.218 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.012 -8.133 -13.453 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.437 -8.882 -14.164 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.573 -7.342 -13.283 1.00 0.00 H new ATOM 920 N GLU A 63 -4.966 -10.795 -9.470 1.00 0.00 N ATOM 921 CA GLU A 63 -6.356 -11.172 -9.091 1.00 0.00 C ATOM 922 C GLU A 63 -6.884 -10.149 -8.049 1.00 0.00 C ATOM 923 O GLU A 63 -7.946 -9.544 -8.241 1.00 0.00 O ATOM 924 CB GLU A 63 -6.403 -12.645 -8.590 1.00 0.00 C ATOM 925 CG GLU A 63 -7.765 -13.370 -8.702 1.00 0.00 C ATOM 926 CD GLU A 63 -8.610 -13.321 -7.424 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.609 -12.275 -6.738 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.275 -14.330 -7.099 1.00 0.00 O ATOM 0 H GLU A 63 -4.320 -11.584 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.017 -11.132 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.664 -13.219 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.094 -12.660 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.335 -12.925 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.588 -14.412 -8.968 1.00 0.00 H new ATOM 935 N GLU A 64 -6.135 -9.981 -6.943 1.00 0.00 N ATOM 936 CA GLU A 64 -6.466 -8.995 -5.880 1.00 0.00 C ATOM 937 C GLU A 64 -5.880 -7.616 -6.293 1.00 0.00 C ATOM 938 O GLU A 64 -5.174 -7.508 -7.302 1.00 0.00 O ATOM 939 CB GLU A 64 -5.961 -9.499 -4.497 1.00 0.00 C ATOM 940 CG GLU A 64 -4.725 -8.780 -3.908 1.00 0.00 C ATOM 941 CD GLU A 64 -4.238 -9.359 -2.577 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.723 -10.439 -2.173 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.370 -8.736 -1.926 1.00 0.00 O ATOM 0 H GLU A 64 -5.288 -10.517 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.544 -8.879 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.779 -9.411 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.728 -10.560 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.911 -8.828 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.964 -7.726 -3.767 1.00 0.00 H new ATOM 950 N VAL A 65 -6.211 -6.570 -5.514 1.00 0.00 N ATOM 951 CA VAL A 65 -5.750 -5.178 -5.767 1.00 0.00 C ATOM 952 C VAL A 65 -6.031 -4.857 -7.261 1.00 0.00 C ATOM 953 O VAL A 65 -5.174 -4.297 -7.957 1.00 0.00 O ATOM 954 CB VAL A 65 -4.252 -4.969 -5.346 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.255 -5.952 -6.007 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.751 -3.528 -5.613 1.00 0.00 C ATOM 0 H VAL A 65 -6.805 -6.658 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.300 -4.471 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.268 -5.170 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.245 -5.735 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.519 -6.975 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.298 -5.840 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.710 -3.442 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.832 -3.306 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.358 -2.821 -5.047 1.00 0.00 H new ATOM 966 N ASP A 66 -7.237 -5.217 -7.740 1.00 0.00 N ATOM 967 CA ASP A 66 -7.654 -4.976 -9.148 1.00 0.00 C ATOM 968 C ASP A 66 -9.199 -5.094 -9.235 1.00 0.00 C ATOM 969 O ASP A 66 -9.736 -6.004 -9.881 1.00 0.00 O ATOM 970 CB ASP A 66 -6.918 -5.929 -10.134 1.00 0.00 C ATOM 971 CG ASP A 66 -6.469 -5.307 -11.468 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.338 -4.889 -12.265 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.246 -5.228 -11.716 1.00 0.00 O ATOM 0 H ASP A 66 -7.949 -5.679 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.367 -3.969 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.039 -6.332 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.575 -6.771 -10.352 1.00 0.00 H new ATOM 978 N GLU A 67 -9.905 -4.176 -8.550 1.00 0.00 N ATOM 979 CA GLU A 67 -11.388 -4.150 -8.470 1.00 0.00 C ATOM 980 C GLU A 67 -11.960 -3.343 -9.667 1.00 0.00 C ATOM 981 O GLU A 67 -13.060 -2.772 -9.566 1.00 0.00 O ATOM 982 CB GLU A 67 -11.834 -3.583 -7.087 1.00 0.00 C ATOM 983 CG GLU A 67 -13.143 -4.159 -6.496 1.00 0.00 C ATOM 984 CD GLU A 67 -14.340 -3.207 -6.575 1.00 0.00 C ATOM 985 OE1 GLU A 67 -14.468 -2.322 -5.701 1.00 0.00 O ATOM 986 OE2 GLU A 67 -15.161 -3.343 -7.510 1.00 0.00 O ATOM 0 H GLU A 67 -9.462 -3.420 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.790 -5.161 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.031 -3.757 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.948 -2.503 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.391 -5.081 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.972 -4.424 -5.453 1.00 0.00 H new ATOM 993 N ASP A 68 -11.230 -3.294 -10.796 1.00 0.00 N ATOM 994 CA ASP A 68 -11.632 -2.522 -12.002 1.00 0.00 C ATOM 995 C ASP A 68 -11.798 -3.505 -13.191 1.00 0.00 C ATOM 996 O ASP A 68 -12.718 -3.372 -14.007 1.00 0.00 O ATOM 997 CB ASP A 68 -10.628 -1.373 -12.310 1.00 0.00 C ATOM 998 CG ASP A 68 -9.647 -1.623 -13.468 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.628 -2.318 -13.260 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.892 -1.119 -14.586 1.00 0.00 O ATOM 0 H ASP A 68 -10.343 -3.786 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.588 -2.032 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.197 -0.470 -12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.050 -1.172 -11.408 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.904 -4.512 -13.269 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.948 -5.543 -14.337 1.00 0.00 C ATOM 1007 C GLY A 69 -10.264 -5.012 -15.623 1.00 0.00 C ATOM 1008 O GLY A 69 -10.756 -4.071 -16.256 1.00 0.00 O ATOM 0 H GLY A 69 -10.140 -4.637 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.447 -6.450 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.983 -5.811 -14.551 1.00 0.00 H new ATOM 1012 N SER A 70 -9.126 -5.633 -15.991 1.00 0.00 N ATOM 1013 CA SER A 70 -8.296 -5.197 -17.145 1.00 0.00 C ATOM 1014 C SER A 70 -7.159 -6.224 -17.396 1.00 0.00 C ATOM 1015 O SER A 70 -6.990 -6.732 -18.511 1.00 0.00 O ATOM 1016 CB SER A 70 -7.754 -3.773 -16.880 1.00 0.00 C ATOM 1017 OG SER A 70 -7.273 -3.641 -15.546 1.00 0.00 O ATOM 0 H SER A 70 -8.753 -6.447 -15.503 1.00 0.00 H new ATOM 0 HA SER A 70 -8.901 -5.158 -18.051 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.950 -3.551 -17.582 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.543 -3.042 -17.058 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.357 -6.495 -16.347 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.199 -7.420 -16.440 1.00 0.00 C ATOM 1025 C GLY A 71 -3.877 -6.615 -16.536 1.00 0.00 C ATOM 1026 O GLY A 71 -2.909 -7.060 -17.165 1.00 0.00 O ATOM 0 H GLY A 71 -6.487 -6.087 -15.421 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.174 -8.072 -15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.307 -8.062 -17.314 1.00 0.00 H new ATOM 1030 N THR A 72 -3.854 -5.429 -15.900 1.00 0.00 N ATOM 1031 CA THR A 72 -2.648 -4.564 -15.809 1.00 0.00 C ATOM 1032 C THR A 72 -2.795 -3.635 -14.573 1.00 0.00 C ATOM 1033 O THR A 72 -3.726 -3.797 -13.771 1.00 0.00 O ATOM 1034 CB THR A 72 -2.389 -3.775 -17.131 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.458 -2.869 -17.394 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.184 -4.645 -18.385 1.00 0.00 C ATOM 0 H THR A 72 -4.670 -5.037 -15.431 1.00 0.00 H new ATOM 0 HA THR A 72 -1.764 -5.187 -15.675 1.00 0.00 H new ATOM 0 HB THR A 72 -1.450 -3.253 -16.949 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.277 -2.382 -18.225 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.012 -4.003 -19.249 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.322 -5.296 -18.239 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.073 -5.252 -18.556 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.889 -2.648 -14.446 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.895 -1.679 -13.318 1.00 0.00 C ATOM 1046 C ILE A 73 -1.460 -0.309 -13.906 1.00 0.00 C ATOM 1047 O ILE A 73 -0.345 0.162 -13.635 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.021 -2.178 -12.105 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.579 -3.482 -11.450 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.827 -1.082 -11.022 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.540 -3.280 -10.267 1.00 0.00 C ATOM 0 H ILE A 73 -1.134 -2.494 -15.114 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.889 -1.577 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.047 -2.410 -12.535 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.094 -4.059 -12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.736 -4.084 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.218 -1.478 -10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.328 -0.219 -11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.799 -0.779 -10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.864 -4.251 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.030 -2.736 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.409 -2.710 -10.597 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.335 0.310 -14.720 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.063 1.639 -15.335 1.00 0.00 C ATOM 1065 C ASP A 74 -1.682 2.640 -14.209 1.00 0.00 C ATOM 1066 O ASP A 74 -1.853 2.356 -13.013 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.265 2.129 -16.193 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.248 1.045 -16.666 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.984 0.403 -17.707 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.288 0.838 -16.003 1.00 0.00 O ATOM 0 H ASP A 74 -3.241 -0.084 -14.973 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.225 1.560 -16.027 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.821 2.867 -15.614 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.873 2.642 -17.071 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.190 3.830 -14.603 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.778 4.893 -13.645 1.00 0.00 C ATOM 1077 C PHE A 75 -2.020 5.337 -12.824 1.00 0.00 C ATOM 1078 O PHE A 75 -1.896 5.733 -11.658 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.119 6.084 -14.400 1.00 0.00 C ATOM 1080 CG PHE A 75 0.652 7.081 -13.511 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -0.036 7.928 -12.633 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.050 7.140 -13.564 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.664 8.818 -11.822 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.747 8.031 -12.751 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.054 8.873 -11.886 1.00 0.00 C ATOM 0 H PHE A 75 -1.065 4.087 -15.582 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.028 4.506 -12.956 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.566 5.685 -15.148 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.896 6.627 -14.937 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.114 7.891 -12.585 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.590 6.492 -14.238 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.129 9.466 -11.143 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.826 8.068 -12.792 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.595 9.570 -11.263 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.206 5.292 -13.458 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.474 5.772 -12.848 1.00 0.00 C ATOM 1097 C GLU A 76 -4.700 5.052 -11.490 1.00 0.00 C ATOM 1098 O GLU A 76 -4.677 5.682 -10.426 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.672 5.587 -13.826 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.351 5.375 -15.327 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.565 6.617 -16.197 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -4.729 7.546 -16.142 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.573 6.671 -16.937 1.00 0.00 O ATOM 0 H GLU A 76 -3.320 4.925 -14.403 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.401 6.842 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.255 4.732 -13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.313 6.465 -13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.314 5.052 -15.423 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.973 4.566 -15.709 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.917 3.725 -11.549 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.212 2.882 -10.360 1.00 0.00 C ATOM 1112 C GLU A 77 -3.945 2.741 -9.472 1.00 0.00 C ATOM 1113 O GLU A 77 -4.059 2.455 -8.271 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.775 1.489 -10.773 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.809 0.287 -10.649 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.328 -0.973 -11.348 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.077 -0.850 -12.342 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.993 -2.093 -10.903 1.00 0.00 O ATOM 0 H GLU A 77 -4.894 3.199 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.986 3.378 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.655 1.283 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.111 1.551 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.843 0.559 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.643 0.068 -9.594 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.752 2.929 -10.064 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.456 2.817 -9.341 1.00 0.00 C ATOM 1127 C PHE A 78 -1.459 3.808 -8.145 1.00 0.00 C ATOM 1128 O PHE A 78 -1.059 3.452 -7.030 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.264 3.065 -10.316 1.00 0.00 C ATOM 1130 CG PHE A 78 1.135 2.805 -9.720 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.732 3.757 -8.885 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.842 1.642 -10.046 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.000 3.532 -8.355 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.111 1.419 -9.515 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.688 2.363 -8.669 1.00 0.00 C ATOM 0 H PHE A 78 -2.651 3.162 -11.052 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.330 1.809 -8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.393 2.429 -11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.308 4.097 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.206 4.671 -8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.402 0.914 -10.712 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.450 4.264 -7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.647 0.514 -9.760 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.670 2.188 -8.256 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.887 5.058 -8.404 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.849 6.155 -7.401 1.00 0.00 C ATOM 1147 C LEU A 79 -2.839 5.807 -6.256 1.00 0.00 C ATOM 1148 O LEU A 79 -2.561 6.076 -5.080 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.191 7.524 -8.064 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.130 8.143 -9.020 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.552 9.527 -9.554 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.248 8.243 -8.335 1.00 0.00 C ATOM 0 H LEU A 79 -2.268 5.341 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.845 6.250 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.119 7.405 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.388 8.243 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.056 7.467 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.777 9.914 -10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.487 9.434 -10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.691 10.213 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.968 8.679 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.169 8.873 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.582 7.247 -8.043 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.003 5.237 -6.618 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.064 4.850 -5.649 1.00 0.00 C ATOM 1166 C VAL A 80 -4.487 3.756 -4.710 1.00 0.00 C ATOM 1167 O VAL A 80 -4.909 3.643 -3.550 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.388 4.421 -6.378 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.507 4.008 -5.393 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.962 5.495 -7.336 1.00 0.00 C ATOM 0 H VAL A 80 -4.242 5.029 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.353 5.706 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.079 3.561 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.397 3.722 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.169 3.164 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.744 4.847 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.875 5.120 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.186 6.402 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.229 5.720 -8.111 1.00 0.00 H new ATOM 1180 N MET A 81 -3.551 2.939 -5.226 1.00 0.00 N ATOM 1181 CA MET A 81 -2.911 1.836 -4.459 1.00 0.00 C ATOM 1182 C MET A 81 -2.256 2.442 -3.188 1.00 0.00 C ATOM 1183 O MET A 81 -2.575 2.045 -2.062 1.00 0.00 O ATOM 1184 CB MET A 81 -1.886 1.056 -5.332 1.00 0.00 C ATOM 1185 CG MET A 81 -1.673 -0.423 -4.958 1.00 0.00 C ATOM 1186 SD MET A 81 -0.811 -1.281 -6.294 1.00 0.00 S ATOM 1187 CE MET A 81 0.883 -0.710 -6.046 1.00 0.00 C ATOM 0 H MET A 81 -3.212 3.018 -6.185 1.00 0.00 H new ATOM 0 HA MET A 81 -3.664 1.107 -4.160 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.211 1.105 -6.371 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.925 1.567 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.095 -0.494 -4.037 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.634 -0.901 -4.769 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.532 -1.157 -6.799 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.918 0.376 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.224 -1.003 -5.053 1.00 0.00 H new ATOM 1197 N MET A 82 -1.314 3.383 -3.393 1.00 0.00 N ATOM 1198 CA MET A 82 -0.513 3.979 -2.291 1.00 0.00 C ATOM 1199 C MET A 82 -1.444 4.796 -1.354 1.00 0.00 C ATOM 1200 O MET A 82 -1.195 4.894 -0.146 1.00 0.00 O ATOM 1201 CB MET A 82 0.635 4.846 -2.881 1.00 0.00 C ATOM 1202 CG MET A 82 1.930 4.090 -3.234 1.00 0.00 C ATOM 1203 SD MET A 82 3.144 4.218 -1.900 1.00 0.00 S ATOM 1204 CE MET A 82 4.578 3.402 -2.631 1.00 0.00 C ATOM 0 H MET A 82 -1.084 3.753 -4.315 1.00 0.00 H new ATOM 0 HA MET A 82 -0.052 3.192 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.267 5.339 -3.781 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.878 5.630 -2.164 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.702 3.041 -3.423 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.352 4.495 -4.154 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.403 3.408 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.322 2.372 -2.882 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.876 3.932 -3.535 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.499 5.399 -1.933 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.424 6.311 -1.206 1.00 0.00 C ATOM 1216 C VAL A 83 -4.235 5.466 -0.185 1.00 0.00 C ATOM 1217 O VAL A 83 -4.643 5.980 0.866 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.323 7.139 -2.192 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.713 7.473 -1.600 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.679 8.460 -2.682 1.00 0.00 C ATOM 0 H VAL A 83 -2.740 5.273 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.858 7.064 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.434 6.472 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.290 8.046 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.241 6.548 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.589 8.060 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.365 8.970 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.469 9.102 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.750 8.239 -3.207 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.492 4.187 -0.516 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.351 3.284 0.297 1.00 0.00 C ATOM 1232 C ARG A 84 -4.638 3.012 1.650 1.00 0.00 C ATOM 1233 O ARG A 84 -5.256 3.110 2.718 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.631 1.959 -0.469 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.051 1.835 -1.068 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.115 0.844 -2.246 1.00 0.00 C ATOM 1237 NE ARG A 84 -6.818 -0.546 -1.814 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.749 -1.498 -1.602 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.956 -1.186 -1.149 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.474 -2.780 -1.801 1.00 0.00 N ATOM 0 H ARG A 84 -4.114 3.744 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.315 3.757 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.904 1.863 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.466 1.123 0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.742 1.513 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.386 2.816 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.106 0.880 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.403 1.146 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.841 -0.798 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.192 -0.213 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.648 -1.919 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.546 -3.059 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.190 -3.487 -1.636 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.346 2.642 1.587 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.559 2.228 2.780 1.00 0.00 C ATOM 1256 C GLN A 85 -2.241 3.485 3.633 1.00 0.00 C ATOM 1257 O GLN A 85 -2.192 3.415 4.868 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.273 1.471 2.335 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.493 0.128 1.596 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.579 -1.016 2.069 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.001 -2.167 2.179 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.681 -0.730 2.363 1.00 0.00 N ATOM 0 H GLN A 85 -2.814 2.619 0.717 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.134 1.538 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.695 2.129 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.664 1.280 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.532 -0.177 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.336 0.285 0.529 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.022 0.227 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.310 -1.466 2.683 1.00 0.00 H new ATOM 1271 N MET A 86 -2.027 4.629 2.958 1.00 0.00 N ATOM 1272 CA MET A 86 -1.605 5.899 3.605 1.00 0.00 C ATOM 1273 C MET A 86 -2.767 6.389 4.511 1.00 0.00 C ATOM 1274 O MET A 86 -2.542 6.838 5.641 1.00 0.00 O ATOM 1275 CB MET A 86 -1.190 6.957 2.537 1.00 0.00 C ATOM 1276 CG MET A 86 -2.217 8.083 2.311 1.00 0.00 C ATOM 1277 SD MET A 86 -1.470 9.463 1.424 1.00 0.00 S ATOM 1278 CE MET A 86 -2.616 9.664 0.044 1.00 0.00 C ATOM 0 H MET A 86 -2.140 4.706 1.947 1.00 0.00 H new ATOM 0 HA MET A 86 -0.722 5.738 4.223 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.242 7.404 2.837 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.016 6.447 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.066 7.699 1.746 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.602 8.428 3.271 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.621 10.706 -0.276 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.301 9.031 -0.786 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.619 9.376 0.359 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.005 6.303 3.990 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.218 6.831 4.670 1.00 0.00 C ATOM 1290 C LYS A 87 -5.556 5.905 5.870 1.00 0.00 C ATOM 1291 O LYS A 87 -5.862 4.720 5.686 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.436 6.910 3.706 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.465 8.142 2.771 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.696 8.230 1.845 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.877 9.588 1.136 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.275 9.795 0.718 1.00 0.00 N ATOM 0 H LYS A 87 -4.200 5.868 3.088 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.009 7.845 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.451 6.009 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.349 6.905 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.424 9.044 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.566 8.133 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.621 7.449 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.590 8.021 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.573 10.393 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.224 9.635 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.363 10.717 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.556 9.040 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.894 9.775 1.554 1.00 0.00 H new ATOM 1310 N GLU A 88 -5.500 6.463 7.093 1.00 0.00 N ATOM 1311 CA GLU A 88 -5.798 5.717 8.345 1.00 0.00 C ATOM 1312 C GLU A 88 -5.005 4.382 8.322 1.00 0.00 C ATOM 1313 O GLU A 88 -5.547 3.320 8.649 1.00 0.00 O ATOM 1314 CB GLU A 88 -7.334 5.526 8.507 1.00 0.00 C ATOM 1315 CG GLU A 88 -8.231 6.675 7.987 1.00 0.00 C ATOM 1316 CD GLU A 88 -7.710 8.077 8.318 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -7.055 8.247 9.370 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -7.956 9.016 7.529 1.00 0.00 O ATOM 0 H GLU A 88 -5.249 7.439 7.249 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.476 6.278 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.620 4.609 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.550 5.377 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.330 6.582 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.229 6.561 8.410 1.00 0.00 H new ATOM 1325 N ASP A 89 -3.710 4.464 7.962 1.00 0.00 N ATOM 1326 CA ASP A 89 -2.794 3.293 7.953 1.00 0.00 C ATOM 1327 C ASP A 89 -3.453 2.153 7.129 1.00 0.00 C ATOM 1328 O ASP A 89 -4.323 2.404 6.287 1.00 0.00 O ATOM 1329 CB ASP A 89 -2.416 2.848 9.396 1.00 0.00 C ATOM 1330 CG ASP A 89 -2.614 3.900 10.501 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -3.744 4.024 11.025 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -1.642 4.609 10.842 1.00 0.00 O ATOM 0 H ASP A 89 -3.266 5.335 7.670 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.852 3.567 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.007 1.968 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.370 2.541 9.398 1.00 0.00 H new ATOM 1337 N ALA A 90 -3.043 0.902 7.409 1.00 0.00 N ATOM 1338 CA ALA A 90 -3.583 -0.302 6.723 1.00 0.00 C ATOM 1339 C ALA A 90 -4.169 -1.255 7.784 1.00 0.00 C ATOM 1340 O ALA A 90 -5.289 -0.963 8.305 1.00 0.00 O ATOM 1341 CB ALA A 90 -2.493 -0.983 5.871 1.00 0.00 C ATOM 1342 OXT ALA A 90 -3.532 -2.303 8.114 1.00 0.00 O ATOM 0 H ALA A 90 -2.334 0.691 8.111 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.378 -0.014 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.911 -1.861 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.130 -0.284 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.666 -1.286 6.513 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.451 -2.342 -19.801 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.216 -3.104 -13.201 1.00 0.00 CA