USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 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 37 ASN : amide:sc= 0.489 K(o=1,f=2) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.534 USER MOD Single : A 2 THR OG1 : rot -28:sc= 0.373 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.39) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00183 X(o=-0.0018,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0688 USER MOD Single : A 48 ASN : amide:sc= -2.66 K(o=-2.7,f=-7.1!) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0.31 (180deg=-2.63!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.105 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.907 (180deg=0.236) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0192) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.131 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 1.12 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.162 10.827 8.080 1.00 10.00 N ATOM 20 CA THR A 2 -7.276 10.048 7.225 1.00 10.00 C ATOM 21 C THR A 2 -7.545 10.438 5.767 1.00 10.00 C ATOM 22 O THR A 2 -8.567 11.071 5.491 1.00 10.00 O ATOM 23 CB THR A 2 -7.527 8.552 7.474 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.916 8.292 7.531 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.882 8.092 8.787 1.00 10.00 C ATOM 0 HA THR A 2 -6.229 10.252 7.449 1.00 10.00 H new ATOM 0 HB THR A 2 -7.079 8.001 6.647 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.386 9.091 7.850 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.077 7.030 8.936 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.806 8.261 8.743 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.304 8.658 9.618 1.00 10.00 H new ATOM 33 N GLU A 3 -6.627 10.080 4.864 1.00 10.00 N ATOM 34 CA GLU A 3 -6.628 10.423 3.451 1.00 10.00 C ATOM 35 C GLU A 3 -6.438 9.160 2.617 1.00 10.00 C ATOM 36 O GLU A 3 -5.770 8.218 3.040 1.00 10.00 O ATOM 37 CB GLU A 3 -5.502 11.425 3.183 1.00 10.00 C ATOM 38 CG GLU A 3 -6.033 12.846 3.377 1.00 10.00 C ATOM 39 CD GLU A 3 -4.914 13.814 3.726 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.176 14.193 2.793 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.805 14.130 4.932 1.00 10.00 O ATOM 0 H GLU A 3 -5.820 9.511 5.121 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.580 10.876 3.174 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.667 11.241 3.859 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.123 11.301 2.168 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.532 13.177 2.466 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.781 12.851 4.170 1.00 10.00 H new ATOM 48 N LYS A 4 -7.085 9.149 1.451 1.00 10.00 N ATOM 49 CA LYS A 4 -7.306 7.979 0.625 1.00 10.00 C ATOM 50 C LYS A 4 -6.407 8.026 -0.613 1.00 10.00 C ATOM 51 O LYS A 4 -6.752 8.620 -1.636 1.00 10.00 O ATOM 52 CB LYS A 4 -8.787 7.958 0.264 1.00 10.00 C ATOM 53 CG LYS A 4 -9.679 8.203 1.493 1.00 10.00 C ATOM 54 CD LYS A 4 -10.973 7.389 1.418 1.00 10.00 C ATOM 55 CE LYS A 4 -11.724 7.731 0.124 1.00 10.00 C ATOM 56 NZ LYS A 4 -13.065 7.130 0.028 1.00 10.00 N ATOM 0 H LYS A 4 -7.484 9.996 1.046 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.048 7.062 1.154 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.988 8.720 -0.489 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -9.039 6.996 -0.182 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.133 7.938 2.399 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.919 9.264 1.564 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.746 6.323 1.447 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -11.601 7.605 2.282 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.817 8.814 0.047 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.128 7.401 -0.727 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -13.506 7.407 -0.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -12.985 6.094 0.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -13.652 7.464 0.819 1.00 10.00 H new ATOM 70 N ALA A 5 -5.231 7.418 -0.488 1.00 10.00 N ATOM 71 CA ALA A 5 -4.142 7.464 -1.448 1.00 10.00 C ATOM 72 C ALA A 5 -4.164 6.219 -2.338 1.00 10.00 C ATOM 73 O ALA A 5 -4.590 5.157 -1.881 1.00 10.00 O ATOM 74 CB ALA A 5 -2.832 7.567 -0.670 1.00 10.00 C ATOM 0 H ALA A 5 -5.004 6.852 0.329 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.246 8.329 -2.103 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.996 7.603 -1.368 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.839 8.473 -0.065 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.725 6.698 -0.021 1.00 10.00 H new ATOM 80 N GLU A 6 -3.667 6.326 -3.578 1.00 10.00 N ATOM 81 CA GLU A 6 -3.519 5.212 -4.498 1.00 10.00 C ATOM 82 C GLU A 6 -2.078 5.126 -4.955 1.00 10.00 C ATOM 83 O GLU A 6 -1.412 6.155 -5.078 1.00 10.00 O ATOM 84 CB GLU A 6 -4.399 5.395 -5.728 1.00 10.00 C ATOM 85 CG GLU A 6 -5.818 4.913 -5.441 1.00 10.00 C ATOM 86 CD GLU A 6 -6.639 4.721 -6.715 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.011 4.468 -7.767 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.882 4.788 -6.604 1.00 10.00 O ATOM 0 H GLU A 6 -3.352 7.214 -3.969 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.817 4.302 -3.977 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.416 6.446 -6.018 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.982 4.839 -6.568 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.775 3.971 -4.895 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.319 5.633 -4.795 1.00 10.00 H new ATOM 95 N PHE A 7 -1.629 3.898 -5.217 1.00 10.00 N ATOM 96 CA PHE A 7 -0.238 3.564 -5.460 1.00 10.00 C ATOM 97 C PHE A 7 -0.152 2.579 -6.626 1.00 10.00 C ATOM 98 O PHE A 7 -0.996 1.686 -6.740 1.00 10.00 O ATOM 99 CB PHE A 7 0.407 2.975 -4.194 1.00 10.00 C ATOM 100 CG PHE A 7 0.168 3.720 -2.903 1.00 10.00 C ATOM 101 CD1 PHE A 7 -1.104 3.679 -2.312 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.230 4.332 -2.218 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.376 4.458 -1.181 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.983 4.992 -1.002 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.327 5.105 -0.511 1.00 10.00 C ATOM 0 H PHE A 7 -2.248 3.088 -5.266 1.00 10.00 H new ATOM 0 HA PHE A 7 0.311 4.470 -5.719 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.044 1.955 -4.070 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.483 2.913 -4.357 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.873 3.046 -2.730 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.231 4.296 -2.623 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.391 4.561 -0.825 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.805 5.414 -0.443 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.526 5.686 0.377 1.00 10.00 H new ATOM 115 N ASP A 8 0.861 2.766 -7.476 1.00 10.00 N ATOM 116 CA ASP A 8 1.049 2.070 -8.743 1.00 10.00 C ATOM 117 C ASP A 8 2.135 1.006 -8.559 1.00 10.00 C ATOM 118 O ASP A 8 3.167 1.305 -7.950 1.00 10.00 O ATOM 119 CB ASP A 8 1.452 3.109 -9.801 1.00 10.00 C ATOM 120 CG ASP A 8 0.813 2.825 -11.148 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.785 1.640 -11.531 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.336 3.808 -11.760 1.00 10.00 O ATOM 0 H ASP A 8 1.604 3.438 -7.287 1.00 10.00 H new ATOM 0 HA ASP A 8 0.136 1.573 -9.069 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.159 4.103 -9.463 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.537 3.115 -9.908 1.00 10.00 H new ATOM 127 N ILE A 9 1.878 -0.243 -8.970 1.00 10.00 N ATOM 128 CA ILE A 9 2.654 -1.407 -8.561 1.00 10.00 C ATOM 129 C ILE A 9 3.463 -1.956 -9.734 1.00 10.00 C ATOM 130 O ILE A 9 2.888 -2.271 -10.773 1.00 10.00 O ATOM 131 CB ILE A 9 1.711 -2.500 -8.007 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.440 -1.958 -7.334 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.491 -3.368 -7.018 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.768 -1.055 -6.161 1.00 10.00 C ATOM 0 H ILE A 9 1.113 -0.470 -9.605 1.00 10.00 H new ATOM 0 HA ILE A 9 3.349 -1.103 -7.778 1.00 10.00 H new ATOM 0 HB ILE A 9 1.366 -3.080 -8.863 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.151 -1.406 -8.064 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.174 -2.791 -6.991 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.837 -4.143 -6.620 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.335 -3.832 -7.528 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.858 -2.748 -6.200 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.156 -0.692 -5.712 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.337 -1.615 -5.419 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.360 -0.208 -6.508 1.00 10.00 H new ATOM 146 N GLU A 10 4.776 -2.129 -9.552 1.00 10.00 N ATOM 147 CA GLU A 10 5.627 -2.835 -10.489 1.00 10.00 C ATOM 148 C GLU A 10 6.189 -4.079 -9.803 1.00 10.00 C ATOM 149 O GLU A 10 7.133 -3.980 -9.017 1.00 10.00 O ATOM 150 CB GLU A 10 6.754 -1.910 -10.951 1.00 10.00 C ATOM 151 CG GLU A 10 6.253 -0.802 -11.884 1.00 10.00 C ATOM 152 CD GLU A 10 7.427 -0.132 -12.587 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.155 0.610 -11.892 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.596 -0.403 -13.795 1.00 10.00 O ATOM 0 H GLU A 10 5.275 -1.774 -8.736 1.00 10.00 H new ATOM 0 HA GLU A 10 5.056 -3.142 -11.365 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.232 -1.460 -10.080 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.515 -2.497 -11.464 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.569 -1.220 -12.622 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.692 -0.062 -11.313 1.00 10.00 H new ATOM 251 N ASN A 19 -2.403 -10.084 -0.617 1.00 10.00 N ATOM 252 CA ASN A 19 -2.796 -10.397 0.751 1.00 10.00 C ATOM 253 C ASN A 19 -1.718 -9.950 1.746 1.00 10.00 C ATOM 254 O ASN A 19 -2.020 -9.488 2.844 1.00 10.00 O ATOM 255 CB ASN A 19 -3.098 -11.902 0.840 1.00 10.00 C ATOM 256 CG ASN A 19 -3.171 -12.427 2.272 1.00 10.00 C ATOM 257 OD1 ASN A 19 -4.227 -12.789 2.771 1.00 10.00 O ATOM 258 ND2 ASN A 19 -2.024 -12.532 2.939 1.00 10.00 N ATOM 0 HA ASN A 19 -3.698 -9.848 1.021 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.045 -12.104 0.339 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.327 -12.451 0.299 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -2.016 -12.920 3.882 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -1.153 -12.225 2.507 1.00 10.00 H new ATOM 265 N ARG A 20 -0.441 -10.147 1.398 1.00 10.00 N ATOM 266 CA ARG A 20 0.677 -9.746 2.232 1.00 10.00 C ATOM 267 C ARG A 20 0.577 -8.241 2.449 1.00 10.00 C ATOM 268 O ARG A 20 0.608 -7.803 3.602 1.00 10.00 O ATOM 269 CB ARG A 20 2.033 -10.116 1.596 1.00 10.00 C ATOM 270 CG ARG A 20 2.821 -11.228 2.306 1.00 10.00 C ATOM 271 CD ARG A 20 2.592 -12.610 1.683 1.00 10.00 C ATOM 272 NE ARG A 20 1.295 -13.188 2.057 1.00 10.00 N ATOM 273 CZ ARG A 20 1.101 -13.949 3.151 1.00 10.00 C ATOM 274 NH1 ARG A 20 2.073 -14.054 4.065 1.00 10.00 N ATOM 275 NH2 ARG A 20 -0.052 -14.599 3.341 1.00 10.00 N ATOM 0 H ARG A 20 -0.162 -10.592 0.524 1.00 10.00 H new ATOM 0 HA ARG A 20 0.629 -10.277 3.183 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.858 -10.422 0.564 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.654 -9.221 1.562 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.884 -10.991 2.273 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.534 -11.256 3.357 1.00 10.00 H new ATOM 0 HD2 ARG A 20 2.651 -12.530 0.598 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.390 -13.283 1.997 1.00 10.00 H new ATOM 0 HE ARG A 20 0.494 -13.002 1.453 1.00 10.00 H new ATOM 0 HH11 ARG A 20 2.955 -13.559 3.931 1.00 10.00 H new ATOM 0 HH12 ARG A 20 1.932 -14.629 4.896 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -0.800 -14.522 2.652 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -0.183 -15.171 4.175 1.00 10.00 H new ATOM 289 N ILE A 21 0.458 -7.466 1.357 1.00 10.00 N ATOM 290 CA ILE A 21 0.366 -6.014 1.456 1.00 10.00 C ATOM 291 C ILE A 21 -0.625 -5.603 2.532 1.00 10.00 C ATOM 292 O ILE A 21 -0.249 -4.801 3.372 1.00 10.00 O ATOM 293 CB ILE A 21 -0.004 -5.277 0.159 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.554 -5.935 -1.091 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.551 -3.854 0.273 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.420 -5.105 -2.369 1.00 10.00 C ATOM 0 H ILE A 21 0.424 -7.827 0.403 1.00 10.00 H new ATOM 0 HA ILE A 21 1.383 -5.713 1.706 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.089 -5.295 0.052 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.609 -6.157 -0.928 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.047 -6.889 -1.239 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.309 -3.295 -0.631 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.106 -3.358 1.136 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.633 -3.894 0.396 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.846 -5.656 -3.207 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.634 -4.905 -2.564 1.00 10.00 H new ATOM 0 HD13 ILE A 21 0.952 -4.161 -2.248 1.00 10.00 H new ATOM 308 N GLU A 22 -1.853 -6.137 2.526 1.00 10.00 N ATOM 309 CA GLU A 22 -2.875 -5.768 3.503 1.00 10.00 C ATOM 310 C GLU A 22 -2.279 -5.643 4.908 1.00 10.00 C ATOM 311 O GLU A 22 -2.337 -4.585 5.529 1.00 10.00 O ATOM 312 CB GLU A 22 -4.016 -6.791 3.511 1.00 10.00 C ATOM 313 CG GLU A 22 -4.758 -6.889 2.175 1.00 10.00 C ATOM 314 CD GLU A 22 -5.875 -7.922 2.263 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.601 -7.881 3.280 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.958 -8.751 1.332 1.00 10.00 O ATOM 0 H GLU A 22 -2.161 -6.833 1.846 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.273 -4.797 3.209 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.613 -7.771 3.766 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.727 -6.525 4.294 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.173 -5.917 1.910 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.061 -7.164 1.384 1.00 10.00 H new ATOM 323 N LYS A 23 -1.660 -6.716 5.404 1.00 10.00 N ATOM 324 CA LYS A 23 -1.045 -6.774 6.708 1.00 10.00 C ATOM 325 C LYS A 23 0.179 -5.855 6.767 1.00 10.00 C ATOM 326 O LYS A 23 0.343 -5.072 7.703 1.00 10.00 O ATOM 327 CB LYS A 23 -0.664 -8.235 6.966 1.00 10.00 C ATOM 328 CG LYS A 23 -1.840 -9.223 6.874 1.00 10.00 C ATOM 329 CD LYS A 23 -3.044 -8.884 7.770 1.00 10.00 C ATOM 330 CE LYS A 23 -2.641 -8.723 9.244 1.00 10.00 C ATOM 331 NZ LYS A 23 -3.815 -8.628 10.138 1.00 10.00 N ATOM 0 H LYS A 23 -1.577 -7.589 4.884 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.733 -6.427 7.479 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.101 -8.531 6.248 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.217 -8.312 7.957 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -2.178 -9.268 5.839 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.480 -10.218 7.135 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.508 -7.962 7.419 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.793 -9.671 7.683 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.025 -9.571 9.545 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.028 -7.828 9.356 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.495 -8.520 11.122 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.390 -7.804 9.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.387 -9.492 10.053 1.00 10.00 H new ATOM 345 N ARG A 24 1.042 -5.957 5.758 1.00 10.00 N ATOM 346 CA ARG A 24 2.255 -5.156 5.646 1.00 10.00 C ATOM 347 C ARG A 24 1.984 -3.642 5.609 1.00 10.00 C ATOM 348 O ARG A 24 2.878 -2.868 5.939 1.00 10.00 O ATOM 349 CB ARG A 24 3.091 -5.657 4.453 1.00 10.00 C ATOM 350 CG ARG A 24 4.216 -6.585 4.938 1.00 10.00 C ATOM 351 CD ARG A 24 5.398 -5.752 5.449 1.00 10.00 C ATOM 352 NE ARG A 24 6.315 -6.537 6.286 1.00 10.00 N ATOM 353 CZ ARG A 24 7.311 -5.998 7.009 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.566 -4.687 6.920 1.00 10.00 N ATOM 355 NH2 ARG A 24 8.039 -6.773 7.820 1.00 10.00 N ATOM 0 H ARG A 24 0.914 -6.609 4.984 1.00 10.00 H new ATOM 0 HA ARG A 24 2.841 -5.294 6.555 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.450 -6.189 3.750 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.517 -4.808 3.917 1.00 10.00 H new ATOM 0 HG2 ARG A 24 3.847 -7.233 5.733 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.541 -7.232 4.124 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.945 -5.343 4.600 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.021 -4.905 6.023 1.00 10.00 H new ATOM 0 HE ARG A 24 6.188 -7.549 6.320 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.005 -4.099 6.304 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.322 -4.276 7.468 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.838 -7.771 7.888 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.796 -6.367 8.370 1.00 10.00 H new ATOM 369 N LEU A 25 0.772 -3.223 5.241 1.00 10.00 N ATOM 370 CA LEU A 25 0.278 -1.855 5.301 1.00 10.00 C ATOM 371 C LEU A 25 -0.443 -1.599 6.623 1.00 10.00 C ATOM 372 O LEU A 25 -0.260 -0.547 7.221 1.00 10.00 O ATOM 373 CB LEU A 25 -0.669 -1.595 4.124 1.00 10.00 C ATOM 374 CG LEU A 25 0.005 -0.778 3.015 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.852 -0.892 1.752 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.012 0.685 3.455 1.00 10.00 C ATOM 0 H LEU A 25 0.073 -3.869 4.873 1.00 10.00 H new ATOM 0 HA LEU A 25 1.126 -1.174 5.237 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.011 -2.546 3.717 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.552 -1.064 4.480 1.00 10.00 H new ATOM 0 HG LEU A 25 1.017 -1.135 2.826 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.392 -0.318 0.947 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.925 -1.938 1.455 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.849 -0.501 1.953 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.486 1.294 2.685 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.013 1.024 3.606 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.568 0.782 4.388 1.00 10.00 H new ATOM 388 N ASN A 26 -1.244 -2.560 7.095 1.00 10.00 N ATOM 389 CA ASN A 26 -1.917 -2.521 8.397 1.00 10.00 C ATOM 390 C ASN A 26 -0.903 -2.228 9.507 1.00 10.00 C ATOM 391 O ASN A 26 -1.232 -1.629 10.524 1.00 10.00 O ATOM 392 CB ASN A 26 -2.635 -3.859 8.632 1.00 10.00 C ATOM 393 CG ASN A 26 -3.630 -3.870 9.789 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.304 -3.552 10.924 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.854 -4.326 9.527 1.00 10.00 N ATOM 0 H ASN A 26 -1.447 -3.409 6.568 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.657 -1.721 8.409 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.162 -4.135 7.719 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.884 -4.629 8.812 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.537 -4.415 10.279 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -5.108 -4.586 8.574 1.00 10.00 H new ATOM 402 N LYS A 27 0.352 -2.632 9.285 1.00 10.00 N ATOM 403 CA LYS A 27 1.488 -2.234 10.101 1.00 10.00 C ATOM 404 C LYS A 27 1.514 -0.742 10.433 1.00 10.00 C ATOM 405 O LYS A 27 1.809 -0.405 11.573 1.00 10.00 O ATOM 406 CB LYS A 27 2.791 -2.647 9.407 1.00 10.00 C ATOM 407 CG LYS A 27 3.261 -4.068 9.745 1.00 10.00 C ATOM 408 CD LYS A 27 3.593 -4.198 11.242 1.00 10.00 C ATOM 409 CE LYS A 27 2.449 -4.843 12.046 1.00 10.00 C ATOM 410 NZ LYS A 27 2.253 -4.172 13.355 1.00 10.00 N ATOM 0 H LYS A 27 0.604 -3.256 8.518 1.00 10.00 H new ATOM 0 HA LYS A 27 1.385 -2.752 11.054 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.656 -2.568 8.328 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.575 -1.942 9.682 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.485 -4.785 9.478 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.141 -4.315 9.151 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.497 -4.795 11.360 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.808 -3.210 11.650 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.525 -4.793 11.469 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.667 -5.899 12.207 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.475 -4.633 13.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 3.127 -4.242 13.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.020 -3.170 13.200 1.00 10.00 H new ATOM 424 N ILE A 28 1.258 0.124 9.453 1.00 10.00 N ATOM 425 CA ILE A 28 1.268 1.568 9.644 1.00 10.00 C ATOM 426 C ILE A 28 0.324 1.966 10.776 1.00 10.00 C ATOM 427 O ILE A 28 -0.851 1.613 10.753 1.00 10.00 O ATOM 428 CB ILE A 28 0.877 2.276 8.330 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.890 2.047 7.193 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.663 3.777 8.568 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.349 2.059 7.645 1.00 10.00 C ATOM 0 H ILE A 28 1.037 -0.162 8.499 1.00 10.00 H new ATOM 0 HA ILE A 28 2.275 1.880 9.921 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.061 1.826 8.004 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.676 1.090 6.718 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.749 2.818 6.435 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.388 4.259 7.630 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.135 3.920 9.297 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.584 4.220 8.947 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.998 1.891 6.785 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.583 3.025 8.093 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.509 1.270 8.380 1.00 10.00 H new ATOM 443 N GLU A 29 0.814 2.742 11.745 1.00 10.00 N ATOM 444 CA GLU A 29 0.011 3.119 12.890 1.00 10.00 C ATOM 445 C GLU A 29 -1.168 4.002 12.469 1.00 10.00 C ATOM 446 O GLU A 29 -2.312 3.696 12.799 1.00 10.00 O ATOM 447 CB GLU A 29 0.895 3.781 13.958 1.00 10.00 C ATOM 448 CG GLU A 29 1.681 2.747 14.785 1.00 10.00 C ATOM 449 CD GLU A 29 2.679 1.917 13.980 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.152 2.440 12.944 1.00 10.00 O ATOM 451 OE2 GLU A 29 2.956 0.782 14.431 1.00 10.00 O ATOM 0 H GLU A 29 1.763 3.117 11.752 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.421 2.222 13.334 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.594 4.465 13.476 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.272 4.378 14.624 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.217 3.267 15.578 1.00 10.00 H new ATOM 0 HG3 GLU A 29 0.973 2.073 15.268 1.00 10.00 H new ATOM 458 N GLY A 30 -0.937 5.087 11.719 1.00 10.00 N ATOM 459 CA GLY A 30 -1.991 6.038 11.407 1.00 10.00 C ATOM 460 C GLY A 30 -2.823 5.590 10.211 1.00 10.00 C ATOM 461 O GLY A 30 -3.173 6.408 9.360 1.00 10.00 O ATOM 0 H GLY A 30 -0.027 5.321 11.321 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.639 6.160 12.275 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.551 7.013 11.198 1.00 10.00 H new ATOM 465 N VAL A 31 -3.126 4.296 10.128 1.00 10.00 N ATOM 466 CA VAL A 31 -3.842 3.692 9.028 1.00 10.00 C ATOM 467 C VAL A 31 -5.304 3.527 9.432 1.00 10.00 C ATOM 468 O VAL A 31 -5.612 3.327 10.606 1.00 10.00 O ATOM 469 CB VAL A 31 -3.154 2.366 8.671 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.587 1.201 9.565 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.344 2.018 7.199 1.00 10.00 C ATOM 0 H VAL A 31 -2.868 3.626 10.852 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.825 4.315 8.134 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.091 2.522 8.856 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.064 0.294 9.260 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.343 1.429 10.603 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.662 1.049 9.470 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.845 1.074 6.981 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.408 1.924 6.982 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.916 2.807 6.580 1.00 10.00 H new ATOM 481 N ALA A 32 -6.203 3.614 8.455 1.00 10.00 N ATOM 482 CA ALA A 32 -7.614 3.313 8.618 1.00 10.00 C ATOM 483 C ALA A 32 -7.935 2.052 7.828 1.00 10.00 C ATOM 484 O ALA A 32 -8.428 1.085 8.401 1.00 10.00 O ATOM 485 CB ALA A 32 -8.460 4.502 8.170 1.00 10.00 C ATOM 0 H ALA A 32 -5.960 3.903 7.507 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.849 3.134 9.667 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.516 4.265 8.297 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.209 5.375 8.773 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.259 4.716 7.120 1.00 10.00 H new ATOM 491 N ASN A 33 -7.660 2.050 6.517 1.00 10.00 N ATOM 492 CA ASN A 33 -7.918 0.890 5.676 1.00 10.00 C ATOM 493 C ASN A 33 -6.802 0.747 4.643 1.00 10.00 C ATOM 494 O ASN A 33 -6.124 1.720 4.316 1.00 10.00 O ATOM 495 CB ASN A 33 -9.282 0.998 4.976 1.00 10.00 C ATOM 496 CG ASN A 33 -10.438 1.378 5.895 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.114 0.517 6.448 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.697 2.675 6.046 1.00 10.00 N ATOM 0 H ASN A 33 -7.258 2.845 6.021 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.941 0.004 6.311 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.209 1.739 4.180 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.510 0.043 4.503 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.475 2.975 6.634 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.118 3.369 5.574 1.00 10.00 H new ATOM 505 N ALA A 34 -6.615 -0.472 4.133 1.00 10.00 N ATOM 506 CA ALA A 34 -5.676 -0.771 3.058 1.00 10.00 C ATOM 507 C ALA A 34 -6.247 -1.845 2.121 1.00 10.00 C ATOM 508 O ALA A 34 -5.670 -2.926 2.005 1.00 10.00 O ATOM 509 CB ALA A 34 -4.344 -1.206 3.677 1.00 10.00 C ATOM 0 H ALA A 34 -7.123 -1.292 4.464 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.509 0.119 2.451 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.631 -1.433 2.884 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.951 -0.401 4.298 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.500 -2.094 4.290 1.00 10.00 H new ATOM 515 N PRO A 35 -7.387 -1.587 1.459 1.00 10.00 N ATOM 516 CA PRO A 35 -8.039 -2.565 0.606 1.00 10.00 C ATOM 517 C PRO A 35 -7.313 -2.627 -0.741 1.00 10.00 C ATOM 518 O PRO A 35 -7.825 -2.148 -1.751 1.00 10.00 O ATOM 519 CB PRO A 35 -9.481 -2.058 0.481 1.00 10.00 C ATOM 520 CG PRO A 35 -9.307 -0.537 0.509 1.00 10.00 C ATOM 521 CD PRO A 35 -8.143 -0.344 1.480 1.00 10.00 C ATOM 0 HA PRO A 35 -8.021 -3.581 1.000 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.950 -2.395 -0.444 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.106 -2.409 1.302 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.079 -0.138 -0.479 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.210 -0.033 0.855 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.519 0.497 1.177 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.506 -0.126 2.484 1.00 10.00 H new ATOM 529 N VAL A 36 -6.102 -3.191 -0.767 1.00 10.00 N ATOM 530 CA VAL A 36 -5.332 -3.272 -1.994 1.00 10.00 C ATOM 531 C VAL A 36 -6.036 -4.152 -3.025 1.00 10.00 C ATOM 532 O VAL A 36 -6.764 -5.079 -2.665 1.00 10.00 O ATOM 533 CB VAL A 36 -3.919 -3.790 -1.706 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.309 -3.065 -0.499 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.877 -5.305 -1.487 1.00 10.00 C ATOM 0 H VAL A 36 -5.642 -3.595 0.049 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.251 -2.269 -2.413 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.324 -3.576 -2.594 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.306 -3.449 -0.313 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.256 -1.996 -0.705 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.931 -3.234 0.380 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.851 -5.615 -1.287 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.508 -5.567 -0.638 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.242 -5.812 -2.380 1.00 10.00 H new ATOM 545 N ASN A 37 -5.777 -3.904 -4.310 1.00 10.00 N ATOM 546 CA ASN A 37 -6.358 -4.732 -5.355 1.00 10.00 C ATOM 547 C ASN A 37 -5.460 -5.932 -5.649 1.00 10.00 C ATOM 548 O ASN A 37 -4.237 -5.812 -5.680 1.00 10.00 O ATOM 549 CB ASN A 37 -6.621 -3.907 -6.610 1.00 10.00 C ATOM 550 CG ASN A 37 -7.588 -2.765 -6.323 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.720 -2.996 -5.910 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.160 -1.530 -6.544 1.00 10.00 N ATOM 0 H ASN A 37 -5.178 -3.148 -4.643 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.317 -5.114 -5.005 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.681 -3.505 -6.988 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.031 -4.548 -7.391 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.778 -0.737 -6.370 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.213 -1.372 -6.888 1.00 10.00 H new ATOM 559 N PHE A 38 -6.081 -7.092 -5.882 1.00 10.00 N ATOM 560 CA PHE A 38 -5.421 -8.383 -6.047 1.00 10.00 C ATOM 561 C PHE A 38 -5.618 -8.923 -7.464 1.00 10.00 C ATOM 562 O PHE A 38 -5.822 -10.120 -7.652 1.00 10.00 O ATOM 563 CB PHE A 38 -5.944 -9.348 -4.972 1.00 10.00 C ATOM 564 CG PHE A 38 -7.447 -9.334 -4.767 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.016 -8.447 -3.831 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.275 -10.211 -5.494 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.406 -8.438 -3.624 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.664 -10.208 -5.276 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.229 -9.323 -4.341 1.00 10.00 C ATOM 0 H PHE A 38 -7.096 -7.156 -5.963 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.345 -8.270 -5.914 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.639 -10.361 -5.236 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.462 -9.107 -4.025 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.383 -7.773 -3.272 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.843 -10.886 -6.219 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.842 -7.751 -2.914 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.298 -10.887 -5.828 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.296 -9.323 -4.174 1.00 10.00 H new ATOM 579 N ALA A 39 -5.557 -8.029 -8.455 1.00 10.00 N ATOM 580 CA ALA A 39 -5.688 -8.345 -9.875 1.00 10.00 C ATOM 581 C ALA A 39 -5.399 -7.108 -10.723 1.00 10.00 C ATOM 582 O ALA A 39 -4.766 -7.193 -11.770 1.00 10.00 O ATOM 583 CB ALA A 39 -7.102 -8.849 -10.184 1.00 10.00 C ATOM 0 H ALA A 39 -5.410 -7.034 -8.283 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.967 -9.126 -10.116 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.182 -9.080 -11.246 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.303 -9.748 -9.601 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.828 -8.078 -9.924 1.00 10.00 H new ATOM 589 N LEU A 40 -5.897 -5.955 -10.272 1.00 10.00 N ATOM 590 CA LEU A 40 -5.862 -4.706 -11.019 1.00 10.00 C ATOM 591 C LEU A 40 -4.459 -4.091 -11.022 1.00 10.00 C ATOM 592 O LEU A 40 -4.165 -3.232 -11.846 1.00 10.00 O ATOM 593 CB LEU A 40 -6.869 -3.721 -10.408 1.00 10.00 C ATOM 594 CG LEU A 40 -8.247 -4.324 -10.077 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.183 -3.189 -9.657 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.844 -5.113 -11.246 1.00 10.00 C ATOM 0 H LEU A 40 -6.344 -5.867 -9.359 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.131 -4.917 -12.054 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.441 -3.306 -9.495 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.009 -2.891 -11.100 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.123 -5.039 -9.263 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.165 -3.597 -9.418 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.775 -2.687 -8.779 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.276 -2.473 -10.474 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.815 -5.515 -10.956 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.966 -4.454 -12.105 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.176 -5.933 -11.510 1.00 10.00 H new ATOM 608 N GLU A 41 -3.625 -4.516 -10.067 1.00 10.00 N ATOM 609 CA GLU A 41 -2.262 -4.049 -9.860 1.00 10.00 C ATOM 610 C GLU A 41 -2.260 -2.576 -9.474 1.00 10.00 C ATOM 611 O GLU A 41 -1.546 -1.755 -10.044 1.00 10.00 O ATOM 612 CB GLU A 41 -1.339 -4.389 -11.039 1.00 10.00 C ATOM 613 CG GLU A 41 -1.212 -5.907 -11.193 1.00 10.00 C ATOM 614 CD GLU A 41 0.109 -6.320 -11.829 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.161 -6.350 -13.075 1.00 10.00 O ATOM 616 OE2 GLU A 41 1.036 -6.610 -11.039 1.00 10.00 O ATOM 0 H GLU A 41 -3.900 -5.227 -9.390 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.834 -4.594 -9.019 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.735 -3.955 -11.957 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.355 -3.949 -10.878 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.303 -6.377 -10.214 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.036 -6.277 -11.802 1.00 10.00 H new ATOM 623 N THR A 42 -3.055 -2.275 -8.449 1.00 10.00 N ATOM 624 CA THR A 42 -3.162 -0.976 -7.822 1.00 10.00 C ATOM 625 C THR A 42 -3.373 -1.205 -6.323 1.00 10.00 C ATOM 626 O THR A 42 -4.216 -2.009 -5.920 1.00 10.00 O ATOM 627 CB THR A 42 -4.316 -0.196 -8.464 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.446 -1.032 -8.613 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.927 0.351 -9.840 1.00 10.00 C ATOM 0 H THR A 42 -3.667 -2.968 -8.019 1.00 10.00 H new ATOM 0 HA THR A 42 -2.260 -0.380 -7.962 1.00 10.00 H new ATOM 0 HB THR A 42 -4.549 0.640 -7.805 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.177 -0.524 -9.022 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.768 0.898 -10.265 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.073 1.021 -9.737 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.662 -0.476 -10.499 1.00 10.00 H new ATOM 637 N VAL A 43 -2.589 -0.525 -5.491 1.00 10.00 N ATOM 638 CA VAL A 43 -2.760 -0.527 -4.044 1.00 10.00 C ATOM 639 C VAL A 43 -3.478 0.767 -3.683 1.00 10.00 C ATOM 640 O VAL A 43 -3.293 1.786 -4.351 1.00 10.00 O ATOM 641 CB VAL A 43 -1.386 -0.651 -3.368 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.314 -0.159 -1.918 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.858 -2.084 -3.434 1.00 10.00 C ATOM 0 H VAL A 43 -1.808 0.049 -5.808 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.353 -1.373 -3.697 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.756 0.022 -3.949 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.301 -0.292 -1.538 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.580 0.897 -1.879 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.010 -0.732 -1.305 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.116 -2.136 -2.947 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.554 -2.752 -2.926 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.759 -2.387 -4.476 1.00 10.00 H new ATOM 653 N THR A 44 -4.283 0.719 -2.626 1.00 10.00 N ATOM 654 CA THR A 44 -5.115 1.802 -2.164 1.00 10.00 C ATOM 655 C THR A 44 -4.968 1.841 -0.648 1.00 10.00 C ATOM 656 O THR A 44 -5.122 0.791 -0.019 1.00 10.00 O ATOM 657 CB THR A 44 -6.551 1.475 -2.575 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.622 1.261 -3.973 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.476 2.612 -2.168 1.00 10.00 C ATOM 0 H THR A 44 -4.370 -0.118 -2.049 1.00 10.00 H new ATOM 0 HA THR A 44 -4.841 2.771 -2.582 1.00 10.00 H new ATOM 0 HB THR A 44 -6.867 0.563 -2.068 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.545 1.051 -4.225 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.498 2.373 -2.463 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.433 2.747 -1.087 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.161 3.532 -2.661 1.00 10.00 H new ATOM 667 N VAL A 45 -4.619 2.997 -0.070 1.00 10.00 N ATOM 668 CA VAL A 45 -4.443 3.137 1.367 1.00 10.00 C ATOM 669 C VAL A 45 -5.175 4.357 1.891 1.00 10.00 C ATOM 670 O VAL A 45 -4.875 5.485 1.505 1.00 10.00 O ATOM 671 CB VAL A 45 -2.958 3.220 1.732 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.791 3.097 3.250 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.235 2.068 1.048 1.00 10.00 C ATOM 0 H VAL A 45 -4.452 3.857 -0.592 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.868 2.250 1.837 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.545 4.175 1.407 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.733 3.156 3.506 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.329 3.907 3.742 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.192 2.140 3.584 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.174 2.107 1.294 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.653 1.121 1.391 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.360 2.150 -0.032 1.00 10.00 H new ATOM 683 N GLU A 46 -6.064 4.113 2.846 1.00 10.00 N ATOM 684 CA GLU A 46 -6.662 5.097 3.695 1.00 10.00 C ATOM 685 C GLU A 46 -5.748 5.236 4.910 1.00 10.00 C ATOM 686 O GLU A 46 -5.841 4.418 5.828 1.00 10.00 O ATOM 687 CB GLU A 46 -8.036 4.565 4.091 1.00 10.00 C ATOM 688 CG GLU A 46 -9.083 4.760 2.996 1.00 10.00 C ATOM 689 CD GLU A 46 -8.829 3.918 1.754 1.00 10.00 C ATOM 690 OE1 GLU A 46 -8.625 2.698 1.929 1.00 10.00 O ATOM 691 OE2 GLU A 46 -8.872 4.514 0.657 1.00 10.00 O ATOM 0 H GLU A 46 -6.394 3.169 3.047 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.782 6.070 3.219 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -7.956 3.504 4.326 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.368 5.069 4.999 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -10.066 4.514 3.397 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.109 5.812 2.713 1.00 10.00 H new ATOM 698 N TYR A 47 -4.874 6.247 4.926 1.00 10.00 N ATOM 699 CA TYR A 47 -4.015 6.536 6.069 1.00 10.00 C ATOM 700 C TYR A 47 -3.889 8.035 6.260 1.00 10.00 C ATOM 701 O TYR A 47 -4.184 8.815 5.359 1.00 10.00 O ATOM 702 CB TYR A 47 -2.626 5.892 5.935 1.00 10.00 C ATOM 703 CG TYR A 47 -1.632 6.640 5.061 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.801 6.720 3.665 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.592 7.365 5.674 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.970 7.560 2.902 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.194 8.251 4.921 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.007 8.360 3.538 1.00 10.00 C ATOM 709 OH TYR A 47 0.715 9.264 2.818 1.00 10.00 O ATOM 0 H TYR A 47 -4.745 6.887 4.143 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.485 6.097 6.949 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.197 5.787 6.932 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.750 4.886 5.533 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.569 6.136 3.180 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.398 7.239 6.729 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.073 7.590 1.827 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.952 8.848 5.406 1.00 10.00 H new ATOM 0 HH TYR A 47 1.336 9.735 3.412 1.00 10.00 H new ATOM 719 N ASN A 48 -3.463 8.441 7.449 1.00 10.00 N ATOM 720 CA ASN A 48 -3.260 9.845 7.772 1.00 10.00 C ATOM 721 C ASN A 48 -1.813 10.259 7.486 1.00 10.00 C ATOM 722 O ASN A 48 -0.875 9.548 7.841 1.00 10.00 O ATOM 723 CB ASN A 48 -3.715 10.149 9.209 1.00 10.00 C ATOM 724 CG ASN A 48 -2.944 9.449 10.325 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.756 9.186 10.229 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.604 9.188 11.446 1.00 10.00 N ATOM 0 H ASN A 48 -3.249 7.805 8.217 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.887 10.457 7.124 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.647 11.225 9.369 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.767 9.879 9.299 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.119 8.764 12.237 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.597 9.411 11.517 1.00 10.00 H new ATOM 733 N PRO A 49 -1.572 11.422 6.870 1.00 10.00 N ATOM 734 CA PRO A 49 -0.226 11.951 6.762 1.00 10.00 C ATOM 735 C PRO A 49 0.161 12.623 8.087 1.00 10.00 C ATOM 736 O PRO A 49 0.565 13.784 8.082 1.00 10.00 O ATOM 737 CB PRO A 49 -0.300 12.925 5.580 1.00 10.00 C ATOM 738 CG PRO A 49 -1.725 13.473 5.673 1.00 10.00 C ATOM 739 CD PRO A 49 -2.527 12.273 6.177 1.00 10.00 C ATOM 0 HA PRO A 49 0.543 11.199 6.585 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.443 13.718 5.663 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.123 12.421 4.630 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.788 14.317 6.360 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.087 13.822 4.706 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.326 12.590 6.847 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.997 11.741 5.350 1.00 10.00 H new ATOM 747 N LYS A 50 0.035 11.921 9.230 1.00 10.00 N ATOM 748 CA LYS A 50 0.430 12.491 10.523 1.00 10.00 C ATOM 749 C LYS A 50 1.222 11.505 11.390 1.00 10.00 C ATOM 750 O LYS A 50 1.574 11.843 12.517 1.00 10.00 O ATOM 751 CB LYS A 50 -0.798 13.095 11.241 1.00 10.00 C ATOM 752 CG LYS A 50 -1.674 12.084 11.990 1.00 10.00 C ATOM 753 CD LYS A 50 -1.514 12.137 13.518 1.00 10.00 C ATOM 754 CE LYS A 50 -2.293 10.968 14.136 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.698 10.476 15.393 1.00 10.00 N ATOM 0 H LYS A 50 -0.333 10.971 9.280 1.00 10.00 H new ATOM 0 HA LYS A 50 1.127 13.307 10.333 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.452 13.848 11.949 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.414 13.610 10.504 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.719 12.265 11.737 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.431 11.080 11.643 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -0.460 12.074 13.790 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.887 13.086 13.904 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.319 11.283 14.326 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.338 10.149 13.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.913 9.465 15.506 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.667 10.610 15.365 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.094 11.006 16.195 1.00 10.00 H new ATOM 769 N GLU A 51 1.477 10.293 10.885 1.00 10.00 N ATOM 770 CA GLU A 51 1.989 9.171 11.659 1.00 10.00 C ATOM 771 C GLU A 51 3.057 8.450 10.824 1.00 10.00 C ATOM 772 O GLU A 51 4.184 8.276 11.279 1.00 10.00 O ATOM 773 CB GLU A 51 0.803 8.257 12.025 1.00 10.00 C ATOM 774 CG GLU A 51 0.902 7.619 13.419 1.00 10.00 C ATOM 775 CD GLU A 51 0.054 8.374 14.430 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.570 9.321 15.061 1.00 10.00 O ATOM 777 OE2 GLU A 51 -1.168 8.109 14.517 1.00 10.00 O ATOM 0 H GLU A 51 1.327 10.066 9.902 1.00 10.00 H new ATOM 0 HA GLU A 51 2.460 9.494 12.587 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.118 8.837 11.968 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.727 7.465 11.280 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.576 6.580 13.370 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.942 7.612 13.746 1.00 10.00 H new ATOM 784 N ALA A 52 2.705 8.072 9.587 1.00 10.00 N ATOM 785 CA ALA A 52 3.610 7.492 8.599 1.00 10.00 C ATOM 786 C ALA A 52 3.550 8.318 7.305 1.00 10.00 C ATOM 787 O ALA A 52 2.837 9.322 7.252 1.00 10.00 O ATOM 788 CB ALA A 52 3.205 6.044 8.345 1.00 10.00 C ATOM 0 H ALA A 52 1.750 8.167 9.241 1.00 10.00 H new ATOM 0 HA ALA A 52 4.636 7.508 8.967 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.876 5.603 7.608 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.267 5.480 9.276 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.182 6.013 7.969 1.00 10.00 H new ATOM 794 N SER A 53 4.261 7.896 6.251 1.00 10.00 N ATOM 795 CA SER A 53 4.211 8.511 4.927 1.00 10.00 C ATOM 796 C SER A 53 4.119 7.444 3.833 1.00 10.00 C ATOM 797 O SER A 53 4.335 6.259 4.087 1.00 10.00 O ATOM 798 CB SER A 53 5.464 9.368 4.705 1.00 10.00 C ATOM 799 OG SER A 53 6.620 8.551 4.610 1.00 10.00 O ATOM 0 H SER A 53 4.898 7.101 6.301 1.00 10.00 H new ATOM 0 HA SER A 53 3.322 9.140 4.874 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.352 9.956 3.794 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.578 10.074 5.528 1.00 10.00 H new ATOM 0 HG SER A 53 7.408 9.115 4.467 1.00 10.00 H new ATOM 805 N VAL A 54 3.889 7.887 2.592 1.00 10.00 N ATOM 806 CA VAL A 54 4.046 7.059 1.400 1.00 10.00 C ATOM 807 C VAL A 54 5.390 6.329 1.427 1.00 10.00 C ATOM 808 O VAL A 54 5.447 5.119 1.217 1.00 10.00 O ATOM 809 CB VAL A 54 3.919 7.922 0.133 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.268 7.110 -1.125 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.500 8.496 0.030 1.00 10.00 C ATOM 0 H VAL A 54 3.586 8.840 2.389 1.00 10.00 H new ATOM 0 HA VAL A 54 3.254 6.310 1.388 1.00 10.00 H new ATOM 0 HB VAL A 54 4.628 8.746 0.204 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.170 7.744 -2.006 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.293 6.747 -1.051 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.589 6.262 -1.211 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.419 9.106 -0.870 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.780 7.679 -0.019 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.292 9.111 0.905 1.00 10.00 H new ATOM 821 N SER A 55 6.471 7.079 1.668 1.00 10.00 N ATOM 822 CA SER A 55 7.827 6.547 1.690 1.00 10.00 C ATOM 823 C SER A 55 7.986 5.461 2.753 1.00 10.00 C ATOM 824 O SER A 55 8.746 4.510 2.537 1.00 10.00 O ATOM 825 CB SER A 55 8.840 7.675 1.891 1.00 10.00 C ATOM 826 OG SER A 55 8.822 8.516 0.752 1.00 10.00 O ATOM 0 H SER A 55 6.423 8.081 1.854 1.00 10.00 H new ATOM 0 HA SER A 55 8.022 6.081 0.724 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.595 8.247 2.786 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.838 7.263 2.040 1.00 10.00 H new ATOM 0 HG SER A 55 9.467 9.244 0.872 1.00 10.00 H new ATOM 832 N ASP A 56 7.265 5.590 3.869 1.00 10.00 N ATOM 833 CA ASP A 56 7.260 4.577 4.902 1.00 10.00 C ATOM 834 C ASP A 56 6.503 3.355 4.383 1.00 10.00 C ATOM 835 O ASP A 56 7.082 2.284 4.231 1.00 10.00 O ATOM 836 CB ASP A 56 6.631 5.147 6.173 1.00 10.00 C ATOM 837 CG ASP A 56 6.882 4.216 7.345 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.221 3.160 7.365 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.728 4.587 8.183 1.00 10.00 O ATOM 0 H ASP A 56 6.675 6.397 4.072 1.00 10.00 H new ATOM 0 HA ASP A 56 8.276 4.270 5.152 1.00 10.00 H new ATOM 0 HB2 ASP A 56 7.049 6.131 6.385 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.559 5.281 6.029 1.00 10.00 H new ATOM 844 N LEU A 57 5.226 3.519 4.021 1.00 10.00 N ATOM 845 CA LEU A 57 4.386 2.376 3.713 1.00 10.00 C ATOM 846 C LEU A 57 4.918 1.576 2.520 1.00 10.00 C ATOM 847 O LEU A 57 5.067 0.359 2.620 1.00 10.00 O ATOM 848 CB LEU A 57 2.916 2.799 3.647 1.00 10.00 C ATOM 849 CG LEU A 57 2.528 3.693 2.465 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.207 2.891 1.199 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.338 4.588 2.832 1.00 10.00 C ATOM 0 H LEU A 57 4.763 4.424 3.937 1.00 10.00 H new ATOM 0 HA LEU A 57 4.432 1.653 4.527 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.301 1.900 3.614 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.667 3.322 4.570 1.00 10.00 H new ATOM 0 HG LEU A 57 3.397 4.314 2.246 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.939 3.575 0.394 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.081 2.309 0.905 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.373 2.218 1.397 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.078 5.215 1.979 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.484 3.966 3.099 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.606 5.220 3.679 1.00 10.00 H new ATOM 863 N LYS A 58 5.290 2.228 1.412 1.00 10.00 N ATOM 864 CA LYS A 58 5.988 1.562 0.329 1.00 10.00 C ATOM 865 C LYS A 58 7.186 0.732 0.764 1.00 10.00 C ATOM 866 O LYS A 58 7.497 -0.230 0.075 1.00 10.00 O ATOM 867 CB LYS A 58 6.400 2.549 -0.767 1.00 10.00 C ATOM 868 CG LYS A 58 7.384 3.656 -0.371 1.00 10.00 C ATOM 869 CD LYS A 58 8.765 3.586 -1.053 1.00 10.00 C ATOM 870 CE LYS A 58 9.754 2.578 -0.441 1.00 10.00 C ATOM 871 NZ LYS A 58 10.183 2.942 0.930 1.00 10.00 N ATOM 0 H LYS A 58 5.114 3.220 1.251 1.00 10.00 H new ATOM 0 HA LYS A 58 5.260 0.856 -0.072 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.841 1.981 -1.586 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.497 3.021 -1.155 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.932 4.621 -0.602 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.528 3.622 0.709 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.620 3.335 -2.104 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.217 4.577 -1.022 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.291 1.591 -0.420 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.632 2.505 -1.082 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.679 2.137 1.364 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.823 3.761 0.888 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.349 3.184 1.502 1.00 10.00 H new ATOM 885 N GLU A 59 7.888 1.081 1.847 1.00 10.00 N ATOM 886 CA GLU A 59 9.004 0.284 2.320 1.00 10.00 C ATOM 887 C GLU A 59 8.547 -1.148 2.586 1.00 10.00 C ATOM 888 O GLU A 59 9.257 -2.102 2.291 1.00 10.00 O ATOM 889 CB GLU A 59 9.602 0.920 3.581 1.00 10.00 C ATOM 890 CG GLU A 59 11.074 0.523 3.738 1.00 10.00 C ATOM 891 CD GLU A 59 11.356 -0.173 5.067 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.878 -1.318 5.228 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.058 0.448 5.893 1.00 10.00 O ATOM 0 H GLU A 59 7.696 1.912 2.407 1.00 10.00 H new ATOM 0 HA GLU A 59 9.779 0.254 1.554 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.516 2.005 3.523 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.038 0.602 4.458 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.358 -0.138 2.919 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.697 1.414 3.659 1.00 10.00 H new ATOM 900 N ALA A 60 7.319 -1.300 3.083 1.00 10.00 N ATOM 901 CA ALA A 60 6.763 -2.608 3.371 1.00 10.00 C ATOM 902 C ALA A 60 6.731 -3.447 2.088 1.00 10.00 C ATOM 903 O ALA A 60 7.215 -4.578 2.057 1.00 10.00 O ATOM 904 CB ALA A 60 5.382 -2.420 3.998 1.00 10.00 C ATOM 0 H ALA A 60 6.692 -0.523 3.293 1.00 10.00 H new ATOM 0 HA ALA A 60 7.381 -3.153 4.085 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.948 -3.395 4.222 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.476 -1.845 4.919 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.736 -1.886 3.301 1.00 10.00 H new ATOM 910 N VAL A 61 6.183 -2.868 1.018 1.00 10.00 N ATOM 911 CA VAL A 61 6.164 -3.482 -0.303 1.00 10.00 C ATOM 912 C VAL A 61 7.581 -3.703 -0.847 1.00 10.00 C ATOM 913 O VAL A 61 7.923 -4.817 -1.241 1.00 10.00 O ATOM 914 CB VAL A 61 5.253 -2.662 -1.231 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.377 -3.117 -2.686 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.803 -2.868 -0.790 1.00 10.00 C ATOM 0 H VAL A 61 5.737 -1.951 1.049 1.00 10.00 H new ATOM 0 HA VAL A 61 5.739 -4.484 -0.239 1.00 10.00 H new ATOM 0 HB VAL A 61 5.550 -1.615 -1.167 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.719 -2.515 -3.313 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.408 -2.994 -3.019 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.093 -4.166 -2.765 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.141 -2.293 -1.437 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.549 -3.926 -0.858 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.685 -2.532 0.240 1.00 10.00 H new ATOM 926 N ASP A 62 8.422 -2.672 -0.817 1.00 10.00 N ATOM 927 CA ASP A 62 9.797 -2.736 -1.297 1.00 10.00 C ATOM 928 C ASP A 62 10.528 -3.907 -0.632 1.00 10.00 C ATOM 929 O ASP A 62 11.233 -4.676 -1.282 1.00 10.00 O ATOM 930 CB ASP A 62 10.465 -1.389 -0.997 1.00 10.00 C ATOM 931 CG ASP A 62 11.866 -1.286 -1.575 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.793 -1.786 -0.906 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.986 -0.657 -2.650 1.00 10.00 O ATOM 0 H ASP A 62 8.162 -1.755 -0.453 1.00 10.00 H new ATOM 0 HA ASP A 62 9.831 -2.913 -2.372 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.850 -0.585 -1.402 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.510 -1.243 0.082 1.00 10.00 H new ATOM 938 N LYS A 63 10.274 -4.086 0.666 1.00 10.00 N ATOM 939 CA LYS A 63 10.883 -5.109 1.486 1.00 10.00 C ATOM 940 C LYS A 63 10.291 -6.478 1.158 1.00 10.00 C ATOM 941 O LYS A 63 11.023 -7.463 1.137 1.00 10.00 O ATOM 942 CB LYS A 63 10.711 -4.724 2.962 1.00 10.00 C ATOM 943 CG LYS A 63 11.441 -5.649 3.942 1.00 10.00 C ATOM 944 CD LYS A 63 12.934 -5.766 3.590 1.00 10.00 C ATOM 945 CE LYS A 63 13.772 -6.300 4.757 1.00 10.00 C ATOM 946 NZ LYS A 63 13.966 -5.280 5.810 1.00 10.00 N ATOM 0 H LYS A 63 9.617 -3.500 1.181 1.00 10.00 H new ATOM 0 HA LYS A 63 11.951 -5.181 1.278 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.071 -3.705 3.104 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.648 -4.723 3.204 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.333 -5.266 4.957 1.00 10.00 H new ATOM 0 HG3 LYS A 63 10.982 -6.637 3.924 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.051 -6.427 2.731 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.312 -4.788 3.293 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.282 -7.175 5.185 1.00 10.00 H new ATOM 0 HE3 LYS A 63 14.743 -6.628 4.386 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 14.620 -5.646 6.531 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.363 -4.417 5.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 13.051 -5.060 6.253 1.00 10.00 H new ATOM 960 N LEU A 64 8.979 -6.557 0.902 1.00 10.00 N ATOM 961 CA LEU A 64 8.393 -7.751 0.312 1.00 10.00 C ATOM 962 C LEU A 64 9.098 -8.125 -1.000 1.00 10.00 C ATOM 963 O LEU A 64 9.351 -9.306 -1.228 1.00 10.00 O ATOM 964 CB LEU A 64 6.889 -7.551 0.098 1.00 10.00 C ATOM 965 CG LEU A 64 6.062 -7.673 1.384 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.686 -7.049 1.130 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.901 -9.139 1.793 1.00 10.00 C ATOM 0 H LEU A 64 8.313 -5.809 1.095 1.00 10.00 H new ATOM 0 HA LEU A 64 8.534 -8.582 1.003 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.721 -6.567 -0.340 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.533 -8.286 -0.624 1.00 10.00 H new ATOM 0 HG LEU A 64 6.573 -7.154 2.195 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.080 -7.125 2.033 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.806 -6.000 0.861 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.191 -7.578 0.315 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.311 -9.199 2.708 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.394 -9.685 0.998 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.883 -9.579 1.966 1.00 10.00 H new ATOM 979 N GLY A 65 9.426 -7.147 -1.851 1.00 10.00 N ATOM 980 CA GLY A 65 10.336 -7.358 -2.974 1.00 10.00 C ATOM 981 C GLY A 65 10.043 -6.425 -4.144 1.00 10.00 C ATOM 982 O GLY A 65 10.938 -5.780 -4.685 1.00 10.00 O ATOM 0 H GLY A 65 9.069 -6.194 -1.779 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.362 -7.206 -2.640 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.260 -8.392 -3.310 1.00 10.00 H new ATOM 986 N TYR A 66 8.779 -6.391 -4.564 1.00 10.00 N ATOM 987 CA TYR A 66 8.306 -5.516 -5.627 1.00 10.00 C ATOM 988 C TYR A 66 8.180 -4.102 -5.079 1.00 10.00 C ATOM 989 O TYR A 66 8.077 -3.925 -3.872 1.00 10.00 O ATOM 990 CB TYR A 66 6.976 -6.034 -6.183 1.00 10.00 C ATOM 991 CG TYR A 66 5.915 -6.395 -5.162 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.997 -7.621 -4.478 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.813 -5.550 -4.940 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.051 -7.955 -3.505 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.819 -5.922 -4.019 1.00 10.00 C ATOM 996 CZ TYR A 66 3.944 -7.123 -3.300 1.00 10.00 C ATOM 997 OH TYR A 66 2.974 -7.529 -2.438 1.00 10.00 O ATOM 0 H TYR A 66 8.047 -6.980 -4.167 1.00 10.00 H new ATOM 0 HA TYR A 66 9.017 -5.505 -6.453 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.565 -5.275 -6.849 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.180 -6.916 -6.791 1.00 10.00 H new ATOM 0 HD1 TYR A 66 6.797 -8.310 -4.706 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.731 -4.616 -5.477 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.173 -8.851 -2.914 1.00 10.00 H new ATOM 0 HE2 TYR A 66 2.960 -5.286 -3.864 1.00 10.00 H new ATOM 0 HH TYR A 66 3.371 -8.091 -1.740 1.00 10.00 H new ATOM 1007 N LYS A 67 8.217 -3.089 -5.943 1.00 10.00 N ATOM 1008 CA LYS A 67 8.262 -1.704 -5.519 1.00 10.00 C ATOM 1009 C LYS A 67 6.894 -1.040 -5.671 1.00 10.00 C ATOM 1010 O LYS A 67 6.042 -1.495 -6.436 1.00 10.00 O ATOM 1011 CB LYS A 67 9.359 -1.001 -6.318 1.00 10.00 C ATOM 1012 CG LYS A 67 10.703 -1.175 -5.592 1.00 10.00 C ATOM 1013 CD LYS A 67 11.906 -0.958 -6.515 1.00 10.00 C ATOM 1014 CE LYS A 67 12.016 0.498 -6.989 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.892 0.619 -8.170 1.00 10.00 N ATOM 0 H LYS A 67 8.216 -3.213 -6.955 1.00 10.00 H new ATOM 0 HA LYS A 67 8.504 -1.633 -4.459 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.418 -1.419 -7.323 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.125 0.058 -6.426 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.756 -0.471 -4.761 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.754 -2.177 -5.165 1.00 10.00 H new ATOM 0 HD2 LYS A 67 12.820 -1.238 -5.991 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.821 -1.615 -7.381 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.024 0.879 -7.231 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.406 1.116 -6.181 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.944 1.615 -8.463 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.845 0.278 -7.932 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 12.505 0.049 -8.949 1.00 10.00 H new ATOM 1029 N LEU A 68 6.706 0.039 -4.904 1.00 10.00 N ATOM 1030 CA LEU A 68 5.469 0.785 -4.780 1.00 10.00 C ATOM 1031 C LEU A 68 5.792 2.273 -4.874 1.00 10.00 C ATOM 1032 O LEU A 68 6.853 2.700 -4.415 1.00 10.00 O ATOM 1033 CB LEU A 68 4.849 0.467 -3.410 1.00 10.00 C ATOM 1034 CG LEU A 68 3.470 1.105 -3.215 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.503 0.391 -4.144 1.00 10.00 C ATOM 1036 CD2 LEU A 68 2.971 1.008 -1.778 1.00 10.00 C ATOM 0 H LEU A 68 7.454 0.427 -4.329 1.00 10.00 H new ATOM 0 HA LEU A 68 4.767 0.516 -5.569 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.762 -0.614 -3.299 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.519 0.816 -2.624 1.00 10.00 H new ATOM 0 HG LEU A 68 3.541 2.168 -3.443 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.507 0.820 -4.032 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.835 0.509 -5.175 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.472 -0.669 -3.892 1.00 10.00 H new ATOM 0 HD21 LEU A 68 1.990 1.477 -1.701 1.00 10.00 H new ATOM 0 HD22 LEU A 68 2.896 -0.040 -1.489 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.670 1.518 -1.115 1.00 10.00 H new ATOM 1048 N LYS A 69 4.873 3.060 -5.435 1.00 10.00 N ATOM 1049 CA LYS A 69 4.929 4.505 -5.512 1.00 10.00 C ATOM 1050 C LYS A 69 3.501 5.026 -5.567 1.00 10.00 C ATOM 1051 O LYS A 69 2.618 4.287 -5.986 1.00 10.00 O ATOM 1052 CB LYS A 69 5.666 4.933 -6.788 1.00 10.00 C ATOM 1053 CG LYS A 69 7.190 5.002 -6.647 1.00 10.00 C ATOM 1054 CD LYS A 69 7.559 5.802 -5.391 1.00 10.00 C ATOM 1055 CE LYS A 69 8.941 6.461 -5.476 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.888 7.766 -6.169 1.00 10.00 N ATOM 0 H LYS A 69 4.031 2.680 -5.867 1.00 10.00 H new ATOM 0 HA LYS A 69 5.457 4.905 -4.647 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.419 4.234 -7.587 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.297 5.912 -7.095 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.605 3.996 -6.584 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.625 5.471 -7.529 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.806 6.573 -5.225 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.533 5.139 -4.526 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.339 6.600 -4.471 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.628 5.798 -6.002 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.842 8.179 -6.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.532 7.631 -7.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.253 8.408 -5.653 1.00 10.00 H new ATOM 1070 N LEU A 70 3.279 6.279 -5.157 1.00 10.00 N ATOM 1071 CA LEU A 70 1.966 6.902 -5.248 1.00 10.00 C ATOM 1072 C LEU A 70 1.584 7.089 -6.713 1.00 10.00 C ATOM 1073 O LEU A 70 2.453 7.166 -7.582 1.00 10.00 O ATOM 1074 CB LEU A 70 1.966 8.280 -4.569 1.00 10.00 C ATOM 1075 CG LEU A 70 0.627 8.636 -3.911 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.396 7.711 -2.713 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.647 10.097 -3.452 1.00 10.00 C ATOM 0 H LEU A 70 4.000 6.880 -4.758 1.00 10.00 H new ATOM 0 HA LEU A 70 1.250 6.251 -4.747 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.751 8.304 -3.813 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.212 9.041 -5.309 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.182 8.506 -4.630 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.554 7.958 -2.240 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.374 6.675 -3.052 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.204 7.840 -1.993 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.306 10.345 -2.985 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.452 10.241 -2.731 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.810 10.746 -4.312 1.00 10.00 H new ATOM 1089 N LYS A 71 0.286 7.232 -6.958 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.288 7.628 -8.219 1.00 10.00 C ATOM 1091 C LYS A 71 -0.944 8.996 -8.042 1.00 10.00 C ATOM 1092 O LYS A 71 -0.608 9.937 -8.755 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.283 6.546 -8.646 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.014 7.019 -9.898 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.593 5.858 -10.723 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.371 6.067 -12.229 1.00 10.00 C ATOM 1097 NZ LYS A 71 -0.952 5.891 -12.606 1.00 10.00 N ATOM 0 H LYS A 71 -0.420 7.064 -6.242 1.00 10.00 H new ATOM 0 HA LYS A 71 0.463 7.723 -9.004 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.761 5.610 -8.844 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.995 6.350 -7.844 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.821 7.692 -9.610 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.327 7.593 -10.519 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.127 4.923 -10.413 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.660 5.765 -10.522 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.986 5.361 -12.788 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.700 7.068 -12.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.893 5.537 -13.582 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.459 6.804 -12.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.504 5.207 -11.963 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.886 9.100 -7.102 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.582 10.348 -6.838 1.00 10.00 C ATOM 1113 C GLY A 72 -3.463 10.210 -5.603 1.00 10.00 C ATOM 1114 O GLY A 72 -3.070 10.627 -4.516 1.00 10.00 O ATOM 0 H GLY A 72 -2.182 8.324 -6.510 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.860 11.151 -6.690 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.191 10.622 -7.699 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.636 9.600 -5.769 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.638 9.448 -4.725 1.00 10.00 C ATOM 1120 C GLU A 73 -6.668 8.428 -5.191 1.00 10.00 C ATOM 1121 O GLU A 73 -6.596 7.989 -6.337 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.302 10.790 -4.366 1.00 10.00 C ATOM 1123 CG GLU A 73 -7.081 11.437 -5.524 1.00 10.00 C ATOM 1124 CD GLU A 73 -8.024 12.522 -5.016 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.901 12.172 -4.195 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.847 13.682 -5.445 1.00 10.00 O ATOM 0 H GLU A 73 -4.919 9.188 -6.658 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.155 9.095 -3.814 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.982 10.634 -3.528 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.533 11.484 -4.028 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.381 11.866 -6.241 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.652 10.674 -6.053 1.00 10.00 H new