USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 29 SER OG : rot 18:sc= 0.528 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.0011 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.16) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 46:sc= 0.68 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.1!) USER MOD Single : A 62 MET CE :methyl 169:sc= -1.1 (180deg=-1.14) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 1.23 (180deg=1.13) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 78:sc= 1.28 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.123 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 80 SER OG : rot 73:sc= 1.29 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.442 F(o=-1.1,f=-0.44) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.9! F(o=-2.6,f=-1.9!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00128 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 12.559 12.317 -1.587 1.00 10.00 N ATOM 38 CA SER A 29 13.342 11.908 -0.435 1.00 10.00 C ATOM 39 C SER A 29 13.989 10.552 -0.703 1.00 10.00 C ATOM 40 O SER A 29 13.306 9.530 -0.749 1.00 10.00 O ATOM 41 CB SER A 29 12.448 11.835 0.804 1.00 10.00 C ATOM 42 OG SER A 29 11.440 12.836 0.758 1.00 10.00 O ATOM 0 HA SER A 29 14.127 12.642 -0.256 1.00 10.00 H new ATOM 0 HB2 SER A 29 11.986 10.850 0.867 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.052 11.962 1.702 1.00 10.00 H new ATOM 0 HG SER A 29 11.343 13.161 -0.162 1.00 10.00 H new ATOM 48 N SER A 30 15.299 10.552 -0.903 1.00 10.00 N ATOM 49 CA SER A 30 16.031 9.325 -1.171 1.00 10.00 C ATOM 50 C SER A 30 16.570 8.727 0.124 1.00 10.00 C ATOM 51 O SER A 30 16.715 9.428 1.133 1.00 10.00 O ATOM 52 CB SER A 30 17.180 9.605 -2.144 1.00 10.00 C ATOM 53 OG SER A 30 16.752 10.438 -3.211 1.00 10.00 O ATOM 0 H SER A 30 15.878 11.392 -0.884 1.00 10.00 H new ATOM 0 HA SER A 30 15.350 8.604 -1.623 1.00 10.00 H new ATOM 0 HB2 SER A 30 18.003 10.083 -1.613 1.00 10.00 H new ATOM 0 HB3 SER A 30 17.561 8.665 -2.542 1.00 10.00 H new ATOM 0 HG SER A 30 17.503 10.604 -3.818 1.00 10.00 H new ATOM 59 N GLY A 31 16.839 7.433 0.092 1.00 10.00 N ATOM 60 CA GLY A 31 17.373 6.757 1.250 1.00 10.00 C ATOM 61 C GLY A 31 16.302 6.279 2.206 1.00 10.00 C ATOM 62 O GLY A 31 15.998 6.950 3.198 1.00 10.00 O ATOM 0 H GLY A 31 16.695 6.836 -0.722 1.00 10.00 H new ATOM 0 HA2 GLY A 31 17.967 5.903 0.923 1.00 10.00 H new ATOM 0 HA3 GLY A 31 18.048 7.431 1.778 1.00 10.00 H new ATOM 66 N VAL A 32 15.722 5.125 1.917 1.00 10.00 N ATOM 67 CA VAL A 32 14.699 4.562 2.781 1.00 10.00 C ATOM 68 C VAL A 32 15.345 3.693 3.851 1.00 10.00 C ATOM 69 O VAL A 32 16.553 3.452 3.819 1.00 10.00 O ATOM 70 CB VAL A 32 13.659 3.728 2.006 1.00 10.00 C ATOM 71 CG1 VAL A 32 12.763 4.633 1.181 1.00 10.00 C ATOM 72 CG2 VAL A 32 14.337 2.694 1.123 1.00 10.00 C ATOM 0 H VAL A 32 15.941 4.563 1.095 1.00 10.00 H new ATOM 0 HA VAL A 32 14.173 5.400 3.238 1.00 10.00 H new ATOM 0 HB VAL A 32 13.042 3.196 2.730 1.00 10.00 H new ATOM 0 HG11 VAL A 32 12.035 4.029 0.640 1.00 10.00 H new ATOM 0 HG12 VAL A 32 12.241 5.327 1.840 1.00 10.00 H new ATOM 0 HG13 VAL A 32 13.369 5.194 0.470 1.00 10.00 H new ATOM 0 HG21 VAL A 32 13.580 2.120 0.588 1.00 10.00 H new ATOM 0 HG22 VAL A 32 14.985 3.197 0.406 1.00 10.00 H new ATOM 0 HG23 VAL A 32 14.932 2.022 1.741 1.00 10.00 H new ATOM 82 N HIS A 33 14.549 3.221 4.794 1.00 10.00 N ATOM 83 CA HIS A 33 15.062 2.389 5.874 1.00 10.00 C ATOM 84 C HIS A 33 14.886 0.911 5.545 1.00 10.00 C ATOM 85 O HIS A 33 14.318 0.568 4.510 1.00 10.00 O ATOM 86 CB HIS A 33 14.356 2.753 7.178 1.00 10.00 C ATOM 87 CG HIS A 33 14.687 4.134 7.667 1.00 10.00 C ATOM 88 ND1 HIS A 33 15.340 4.337 8.860 1.00 10.00 N ATOM 89 CD2 HIS A 33 14.436 5.339 7.090 1.00 10.00 C ATOM 90 CE1 HIS A 33 15.471 5.648 8.981 1.00 10.00 C ATOM 91 NE2 HIS A 33 14.939 6.293 7.936 1.00 10.00 N ATOM 0 H HIS A 33 13.545 3.398 4.836 1.00 10.00 H new ATOM 0 HA HIS A 33 16.130 2.573 5.993 1.00 10.00 H new ATOM 0 HB2 HIS A 33 13.278 2.675 7.034 1.00 10.00 H new ATOM 0 HB3 HIS A 33 14.628 2.028 7.945 1.00 10.00 H new ATOM 0 HD2 HIS A 33 13.937 5.511 6.148 1.00 10.00 H new ATOM 0 HE1 HIS A 33 15.948 6.136 9.818 1.00 10.00 H new ATOM 0 HE2 HIS A 33 14.913 7.303 7.796 1.00 10.00 H new ATOM 99 N VAL A 34 15.374 0.033 6.421 1.00 10.00 N ATOM 100 CA VAL A 34 15.273 -1.407 6.192 1.00 10.00 C ATOM 101 C VAL A 34 13.823 -1.881 6.252 1.00 10.00 C ATOM 102 O VAL A 34 13.473 -2.918 5.687 1.00 10.00 O ATOM 103 CB VAL A 34 16.125 -2.217 7.195 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.599 -1.861 7.060 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.650 -1.989 8.621 1.00 10.00 C ATOM 0 H VAL A 34 15.840 0.292 7.290 1.00 10.00 H new ATOM 0 HA VAL A 34 15.663 -1.586 5.190 1.00 10.00 H new ATOM 0 HB VAL A 34 16.003 -3.275 6.962 1.00 10.00 H new ATOM 0 HG11 VAL A 34 18.181 -2.443 7.775 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.937 -2.087 6.049 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.736 -0.798 7.259 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.266 -2.570 9.307 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.733 -0.930 8.867 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.610 -2.303 8.713 1.00 10.00 H new ATOM 115 N GLU A 35 12.985 -1.122 6.937 1.00 10.00 N ATOM 116 CA GLU A 35 11.575 -1.455 7.051 1.00 10.00 C ATOM 117 C GLU A 35 10.738 -0.215 6.776 1.00 10.00 C ATOM 118 O GLU A 35 10.403 0.538 7.688 1.00 10.00 O ATOM 119 CB GLU A 35 11.261 -2.016 8.439 1.00 10.00 C ATOM 120 CG GLU A 35 9.892 -2.677 8.533 1.00 10.00 C ATOM 121 CD GLU A 35 9.539 -3.085 9.948 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.410 -3.633 10.652 1.00 10.00 O ATOM 123 OE2 GLU A 35 8.381 -2.869 10.362 1.00 10.00 O ATOM 0 H GLU A 35 13.257 -0.268 7.424 1.00 10.00 H new ATOM 0 HA GLU A 35 11.332 -2.223 6.317 1.00 10.00 H new ATOM 0 HB2 GLU A 35 12.026 -2.744 8.709 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.317 -1.209 9.169 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.134 -1.990 8.157 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.872 -3.556 7.889 1.00 10.00 H new ATOM 130 N ASP A 36 10.431 -0.001 5.509 1.00 10.00 N ATOM 131 CA ASP A 36 9.645 1.145 5.075 1.00 10.00 C ATOM 132 C ASP A 36 8.163 0.787 4.990 1.00 10.00 C ATOM 133 O ASP A 36 7.353 1.537 4.442 1.00 10.00 O ATOM 134 CB ASP A 36 10.166 1.668 3.720 1.00 10.00 C ATOM 135 CG ASP A 36 10.307 0.590 2.647 1.00 10.00 C ATOM 136 OD1 ASP A 36 10.614 -0.575 2.990 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.156 0.917 1.452 1.00 10.00 O ATOM 0 H ASP A 36 10.719 -0.617 4.749 1.00 10.00 H new ATOM 0 HA ASP A 36 9.753 1.939 5.814 1.00 10.00 H new ATOM 0 HB2 ASP A 36 9.489 2.441 3.356 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.136 2.141 3.874 1.00 10.00 H new ATOM 142 N ALA A 37 7.811 -0.347 5.573 1.00 10.00 N ATOM 143 CA ALA A 37 6.437 -0.824 5.577 1.00 10.00 C ATOM 144 C ALA A 37 5.524 0.112 6.367 1.00 10.00 C ATOM 145 O ALA A 37 4.417 0.434 5.934 1.00 10.00 O ATOM 146 CB ALA A 37 6.388 -2.225 6.156 1.00 10.00 C ATOM 0 H ALA A 37 8.467 -0.961 6.055 1.00 10.00 H new ATOM 0 HA ALA A 37 6.076 -0.843 4.549 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.358 -2.582 6.159 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.001 -2.891 5.549 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.770 -2.210 7.177 1.00 10.00 H new ATOM 152 N LEU A 38 6.003 0.566 7.517 1.00 10.00 N ATOM 153 CA LEU A 38 5.224 1.455 8.371 1.00 10.00 C ATOM 154 C LEU A 38 5.095 2.850 7.759 1.00 10.00 C ATOM 155 O LEU A 38 4.134 3.572 8.030 1.00 10.00 O ATOM 156 CB LEU A 38 5.861 1.548 9.761 1.00 10.00 C ATOM 157 CG LEU A 38 7.346 1.926 9.773 1.00 10.00 C ATOM 158 CD1 LEU A 38 7.566 3.218 10.551 1.00 10.00 C ATOM 159 CD2 LEU A 38 8.180 0.798 10.366 1.00 10.00 C ATOM 0 H LEU A 38 6.927 0.334 7.881 1.00 10.00 H new ATOM 0 HA LEU A 38 4.223 1.034 8.462 1.00 10.00 H new ATOM 0 HB2 LEU A 38 5.310 2.284 10.347 1.00 10.00 H new ATOM 0 HB3 LEU A 38 5.743 0.588 10.263 1.00 10.00 H new ATOM 0 HG LEU A 38 7.666 2.087 8.744 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.627 3.469 10.547 1.00 10.00 H new ATOM 0 HD12 LEU A 38 7.001 4.025 10.084 1.00 10.00 H new ATOM 0 HD13 LEU A 38 7.228 3.086 11.579 1.00 10.00 H new ATOM 0 HD21 LEU A 38 9.232 1.084 10.366 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.856 0.605 11.389 1.00 10.00 H new ATOM 0 HD23 LEU A 38 8.050 -0.104 9.768 1.00 10.00 H new ATOM 171 N THR A 39 6.059 3.215 6.923 1.00 10.00 N ATOM 172 CA THR A 39 6.072 4.521 6.274 1.00 10.00 C ATOM 173 C THR A 39 4.841 4.719 5.386 1.00 10.00 C ATOM 174 O THR A 39 4.035 5.622 5.620 1.00 10.00 O ATOM 175 CB THR A 39 7.347 4.685 5.428 1.00 10.00 C ATOM 176 OG1 THR A 39 8.461 4.090 6.112 1.00 10.00 O ATOM 177 CG2 THR A 39 7.637 6.155 5.162 1.00 10.00 C ATOM 0 H THR A 39 6.849 2.619 6.677 1.00 10.00 H new ATOM 0 HA THR A 39 6.054 5.277 7.059 1.00 10.00 H new ATOM 0 HB THR A 39 7.192 4.185 4.472 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.271 4.194 5.570 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.543 6.244 4.562 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.800 6.599 4.623 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.776 6.676 6.109 1.00 10.00 H new ATOM 185 N TYR A 40 4.688 3.854 4.388 1.00 10.00 N ATOM 186 CA TYR A 40 3.569 3.940 3.454 1.00 10.00 C ATOM 187 C TYR A 40 2.241 3.663 4.157 1.00 10.00 C ATOM 188 O TYR A 40 1.210 4.224 3.789 1.00 10.00 O ATOM 189 CB TYR A 40 3.783 2.958 2.294 1.00 10.00 C ATOM 190 CG TYR A 40 2.583 2.774 1.375 1.00 10.00 C ATOM 191 CD1 TYR A 40 1.623 1.796 1.627 1.00 10.00 C ATOM 192 CD2 TYR A 40 2.419 3.569 0.247 1.00 10.00 C ATOM 193 CE1 TYR A 40 0.541 1.621 0.787 1.00 10.00 C ATOM 194 CE2 TYR A 40 1.336 3.398 -0.598 1.00 10.00 C ATOM 195 CZ TYR A 40 0.400 2.423 -0.322 1.00 10.00 C ATOM 196 OH TYR A 40 -0.679 2.251 -1.157 1.00 10.00 O ATOM 0 H TYR A 40 5.328 3.081 4.204 1.00 10.00 H new ATOM 0 HA TYR A 40 3.527 4.954 3.057 1.00 10.00 H new ATOM 0 HB2 TYR A 40 4.628 3.302 1.698 1.00 10.00 H new ATOM 0 HB3 TYR A 40 4.058 1.987 2.706 1.00 10.00 H new ATOM 0 HD1 TYR A 40 1.727 1.163 2.496 1.00 10.00 H new ATOM 0 HD2 TYR A 40 3.149 4.333 0.026 1.00 10.00 H new ATOM 0 HE1 TYR A 40 -0.192 0.857 1.000 1.00 10.00 H new ATOM 0 HE2 TYR A 40 1.224 4.025 -1.470 1.00 10.00 H new ATOM 0 HH TYR A 40 -1.442 1.918 -0.641 1.00 10.00 H new ATOM 206 N LEU A 41 2.281 2.808 5.174 1.00 10.00 N ATOM 207 CA LEU A 41 1.086 2.439 5.935 1.00 10.00 C ATOM 208 C LEU A 41 0.375 3.671 6.492 1.00 10.00 C ATOM 209 O LEU A 41 -0.817 3.862 6.269 1.00 10.00 O ATOM 210 CB LEU A 41 1.464 1.495 7.084 1.00 10.00 C ATOM 211 CG LEU A 41 0.572 0.255 7.240 1.00 10.00 C ATOM 212 CD1 LEU A 41 -0.861 0.644 7.580 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.605 -0.594 5.976 1.00 10.00 C ATOM 0 H LEU A 41 3.135 2.352 5.495 1.00 10.00 H new ATOM 0 HA LEU A 41 0.402 1.931 5.255 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.492 1.165 6.937 1.00 10.00 H new ATOM 0 HB3 LEU A 41 1.440 2.058 8.017 1.00 10.00 H new ATOM 0 HG LEU A 41 0.967 -0.335 8.067 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -1.467 -0.256 7.684 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -0.874 1.201 8.517 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.268 1.266 6.783 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.034 -1.468 6.108 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.245 -0.005 5.133 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.627 -0.918 5.782 1.00 10.00 H new ATOM 225 N ASP A 42 1.121 4.512 7.196 1.00 10.00 N ATOM 226 CA ASP A 42 0.560 5.719 7.799 1.00 10.00 C ATOM 227 C ASP A 42 0.295 6.796 6.743 1.00 10.00 C ATOM 228 O ASP A 42 -0.598 7.630 6.904 1.00 10.00 O ATOM 229 CB ASP A 42 1.507 6.256 8.875 1.00 10.00 C ATOM 230 CG ASP A 42 0.892 7.378 9.690 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.202 7.179 10.264 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.516 8.453 9.785 1.00 10.00 O ATOM 0 H ASP A 42 2.118 4.382 7.365 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.393 5.457 8.258 1.00 10.00 H new ATOM 0 HB2 ASP A 42 1.791 5.442 9.542 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.421 6.615 8.402 1.00 10.00 H new ATOM 237 N GLN A 43 1.062 6.756 5.656 1.00 10.00 N ATOM 238 CA GLN A 43 0.924 7.728 4.569 1.00 10.00 C ATOM 239 C GLN A 43 -0.484 7.722 3.984 1.00 10.00 C ATOM 240 O GLN A 43 -1.033 8.775 3.654 1.00 10.00 O ATOM 241 CB GLN A 43 1.938 7.440 3.466 1.00 10.00 C ATOM 242 CG GLN A 43 3.298 8.067 3.716 1.00 10.00 C ATOM 243 CD GLN A 43 3.346 9.533 3.336 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.041 10.412 4.144 1.00 10.00 O ATOM 245 NE2 GLN A 43 3.725 9.807 2.098 1.00 10.00 N ATOM 0 H GLN A 43 1.790 6.058 5.502 1.00 10.00 H new ATOM 0 HA GLN A 43 1.114 8.716 4.989 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.057 6.361 3.365 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.546 7.808 2.518 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.554 7.961 4.770 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.054 7.524 3.148 1.00 10.00 H new ATOM 0 HE21 GLN A 43 3.969 9.050 1.460 1.00 10.00 H new ATOM 0 HE22 GLN A 43 3.773 10.776 1.782 1.00 10.00 H new ATOM 254 N VAL A 44 -1.070 6.536 3.862 1.00 10.00 N ATOM 255 CA VAL A 44 -2.418 6.404 3.316 1.00 10.00 C ATOM 256 C VAL A 44 -3.431 7.123 4.204 1.00 10.00 C ATOM 257 O VAL A 44 -4.397 7.716 3.718 1.00 10.00 O ATOM 258 CB VAL A 44 -2.831 4.922 3.165 1.00 10.00 C ATOM 259 CG1 VAL A 44 -4.145 4.801 2.407 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.741 4.128 2.464 1.00 10.00 C ATOM 0 H VAL A 44 -0.635 5.654 4.133 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.409 6.862 2.327 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.971 4.508 4.164 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -4.415 3.749 2.313 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.928 5.330 2.950 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -4.034 5.237 1.414 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -2.053 3.088 2.368 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.566 4.547 1.473 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.822 4.179 3.047 1.00 10.00 H new ATOM 270 N LYS A 45 -3.183 7.092 5.507 1.00 10.00 N ATOM 271 CA LYS A 45 -4.061 7.732 6.476 1.00 10.00 C ATOM 272 C LYS A 45 -3.964 9.252 6.373 1.00 10.00 C ATOM 273 O LYS A 45 -4.950 9.963 6.550 1.00 10.00 O ATOM 274 CB LYS A 45 -3.696 7.270 7.891 1.00 10.00 C ATOM 275 CG LYS A 45 -4.597 7.833 8.977 1.00 10.00 C ATOM 276 CD LYS A 45 -4.369 7.131 10.307 1.00 10.00 C ATOM 277 CE LYS A 45 -3.777 8.068 11.352 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.426 8.565 10.971 1.00 10.00 N ATOM 0 H LYS A 45 -2.374 6.626 5.919 1.00 10.00 H new ATOM 0 HA LYS A 45 -5.089 7.443 6.260 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.736 6.181 7.928 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.666 7.558 8.102 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.409 8.901 9.091 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.640 7.723 8.680 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -5.315 6.731 10.673 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.700 6.283 10.160 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.446 8.917 11.495 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.713 7.548 12.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.969 8.997 11.799 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.847 7.771 10.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.517 9.275 10.216 1.00 10.00 H new ATOM 292 N ILE A 46 -2.773 9.740 6.069 1.00 10.00 N ATOM 293 CA ILE A 46 -2.546 11.173 5.943 1.00 10.00 C ATOM 294 C ILE A 46 -3.094 11.692 4.614 1.00 10.00 C ATOM 295 O ILE A 46 -3.609 12.806 4.535 1.00 10.00 O ATOM 296 CB ILE A 46 -1.043 11.508 6.056 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.456 10.858 7.313 1.00 10.00 C ATOM 298 CG2 ILE A 46 -0.834 13.013 6.084 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.056 10.819 7.335 1.00 10.00 C ATOM 0 H ILE A 46 -1.946 9.166 5.904 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.074 11.665 6.760 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.527 11.110 5.183 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.808 11.402 8.189 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.837 9.840 7.395 1.00 10.00 H new ATOM 0 HG21 ILE A 46 0.231 13.231 6.164 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.226 13.452 5.167 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.356 13.437 6.942 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.394 10.344 8.256 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.418 10.249 6.479 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.447 11.835 7.286 1.00 10.00 H new ATOM 311 N ARG A 47 -2.985 10.873 3.575 1.00 10.00 N ATOM 312 CA ARG A 47 -3.473 11.240 2.252 1.00 10.00 C ATOM 313 C ARG A 47 -4.999 11.249 2.212 1.00 10.00 C ATOM 314 O ARG A 47 -5.609 12.172 1.672 1.00 10.00 O ATOM 315 CB ARG A 47 -2.929 10.269 1.201 1.00 10.00 C ATOM 316 CG ARG A 47 -1.664 10.759 0.507 1.00 10.00 C ATOM 317 CD ARG A 47 -1.986 11.716 -0.632 1.00 10.00 C ATOM 318 NE ARG A 47 -0.787 12.350 -1.179 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.758 13.015 -2.336 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.856 13.116 -3.074 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.363 13.593 -2.747 1.00 10.00 N ATOM 0 H ARG A 47 -2.561 9.947 3.624 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.119 12.247 2.029 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.723 9.311 1.678 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.699 10.092 0.450 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.021 11.258 1.232 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.107 9.906 0.120 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.501 11.174 -1.425 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.671 12.485 -0.275 1.00 10.00 H new ATOM 0 HE ARG A 47 0.079 12.280 -0.644 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.725 12.685 -2.758 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.831 13.625 -3.958 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.207 13.530 -2.178 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.381 14.100 -3.632 1.00 10.00 H new ATOM 335 N PHE A 48 -5.611 10.233 2.811 1.00 10.00 N ATOM 336 CA PHE A 48 -7.063 10.124 2.826 1.00 10.00 C ATOM 337 C PHE A 48 -7.617 10.440 4.208 1.00 10.00 C ATOM 338 O PHE A 48 -8.504 9.751 4.712 1.00 10.00 O ATOM 339 CB PHE A 48 -7.496 8.723 2.385 1.00 10.00 C ATOM 340 CG PHE A 48 -7.210 8.444 0.936 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.075 8.892 -0.047 1.00 10.00 C ATOM 342 CD2 PHE A 48 -6.080 7.736 0.560 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.820 8.643 -1.381 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.816 7.481 -0.772 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.687 7.935 -1.747 1.00 10.00 C ATOM 0 H PHE A 48 -5.125 9.476 3.291 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.467 10.853 2.123 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.985 7.982 2.999 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.564 8.606 2.567 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -8.961 9.443 0.233 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.397 7.379 1.317 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.503 9.000 -2.138 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.931 6.928 -1.052 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.484 7.738 -2.789 1.00 10.00 H new ATOM 355 N GLY A 49 -7.095 11.501 4.814 1.00 10.00 N ATOM 356 CA GLY A 49 -7.545 11.901 6.132 1.00 10.00 C ATOM 357 C GLY A 49 -8.991 12.358 6.132 1.00 10.00 C ATOM 358 O GLY A 49 -9.703 12.195 7.122 1.00 10.00 O ATOM 0 H GLY A 49 -6.366 12.092 4.414 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.430 11.065 6.822 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.911 12.708 6.501 1.00 10.00 H new ATOM 362 N SER A 50 -9.431 12.927 5.017 1.00 10.00 N ATOM 363 CA SER A 50 -10.804 13.407 4.892 1.00 10.00 C ATOM 364 C SER A 50 -11.711 12.340 4.291 1.00 10.00 C ATOM 365 O SER A 50 -12.928 12.512 4.236 1.00 10.00 O ATOM 366 CB SER A 50 -10.836 14.669 4.031 1.00 10.00 C ATOM 367 OG SER A 50 -9.929 15.634 4.527 1.00 10.00 O ATOM 0 H SER A 50 -8.858 13.068 4.185 1.00 10.00 H new ATOM 0 HA SER A 50 -11.175 13.639 5.890 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.582 14.419 3.001 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.845 15.082 4.019 1.00 10.00 H new ATOM 0 HG SER A 50 -9.962 16.434 3.962 1.00 10.00 H new ATOM 373 N ASP A 51 -11.121 11.231 3.865 1.00 10.00 N ATOM 374 CA ASP A 51 -11.887 10.147 3.261 1.00 10.00 C ATOM 375 C ASP A 51 -11.667 8.841 4.016 1.00 10.00 C ATOM 376 O ASP A 51 -10.819 8.029 3.639 1.00 10.00 O ATOM 377 CB ASP A 51 -11.503 9.971 1.792 1.00 10.00 C ATOM 378 CG ASP A 51 -12.598 9.306 0.981 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.959 8.149 1.293 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.099 9.938 0.024 1.00 10.00 O ATOM 0 H ASP A 51 -10.118 11.058 3.926 1.00 10.00 H new ATOM 0 HA ASP A 51 -12.943 10.409 3.320 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.276 10.946 1.360 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.593 9.374 1.727 1.00 10.00 H new ATOM 385 N PRO A 52 -12.434 8.617 5.095 1.00 10.00 N ATOM 386 CA PRO A 52 -12.310 7.406 5.911 1.00 10.00 C ATOM 387 C PRO A 52 -12.745 6.144 5.168 1.00 10.00 C ATOM 388 O PRO A 52 -12.265 5.050 5.461 1.00 10.00 O ATOM 389 CB PRO A 52 -13.240 7.678 7.098 1.00 10.00 C ATOM 390 CG PRO A 52 -14.217 8.688 6.609 1.00 10.00 C ATOM 391 CD PRO A 52 -13.481 9.525 5.602 1.00 10.00 C ATOM 0 HA PRO A 52 -11.275 7.218 6.196 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.744 6.767 7.419 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.683 8.053 7.956 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -15.083 8.205 6.156 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.587 9.302 7.430 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.141 9.863 4.802 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.052 10.417 6.059 1.00 10.00 H new ATOM 399 N ALA A 53 -13.632 6.303 4.192 1.00 10.00 N ATOM 400 CA ALA A 53 -14.132 5.169 3.421 1.00 10.00 C ATOM 401 C ALA A 53 -13.012 4.507 2.632 1.00 10.00 C ATOM 402 O ALA A 53 -12.896 3.281 2.616 1.00 10.00 O ATOM 403 CB ALA A 53 -15.246 5.613 2.490 1.00 10.00 C ATOM 0 H ALA A 53 -14.020 7.205 3.916 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.531 4.434 4.120 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.608 4.756 1.922 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -16.064 6.032 3.076 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.866 6.369 1.803 1.00 10.00 H new ATOM 409 N THR A 54 -12.183 5.327 1.995 1.00 10.00 N ATOM 410 CA THR A 54 -11.073 4.819 1.203 1.00 10.00 C ATOM 411 C THR A 54 -10.042 4.122 2.088 1.00 10.00 C ATOM 412 O THR A 54 -9.517 3.064 1.735 1.00 10.00 O ATOM 413 CB THR A 54 -10.393 5.946 0.399 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.387 6.716 -0.288 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.410 5.374 -0.612 1.00 10.00 C ATOM 0 H THR A 54 -12.260 6.344 2.013 1.00 10.00 H new ATOM 0 HA THR A 54 -11.484 4.093 0.501 1.00 10.00 H new ATOM 0 HB THR A 54 -9.847 6.582 1.095 1.00 10.00 H new ATOM 0 HG1 THR A 54 -12.122 6.923 0.326 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.943 6.188 -1.167 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.642 4.803 -0.090 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.940 4.720 -1.305 1.00 10.00 H new ATOM 423 N TYR A 55 -9.768 4.703 3.251 1.00 10.00 N ATOM 424 CA TYR A 55 -8.804 4.118 4.175 1.00 10.00 C ATOM 425 C TYR A 55 -9.342 2.820 4.771 1.00 10.00 C ATOM 426 O TYR A 55 -8.592 1.866 4.971 1.00 10.00 O ATOM 427 CB TYR A 55 -8.455 5.105 5.286 1.00 10.00 C ATOM 428 CG TYR A 55 -7.305 4.646 6.165 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.113 4.198 5.604 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.413 4.655 7.552 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.064 3.770 6.399 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.365 4.231 8.352 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.196 3.790 7.769 1.00 10.00 C ATOM 434 OH TYR A 55 -4.156 3.359 8.560 1.00 10.00 O ATOM 0 H TYR A 55 -10.196 5.571 3.574 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.897 3.890 3.615 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.200 6.066 4.840 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.336 5.266 5.908 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -6.005 4.184 4.530 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.328 4.998 8.012 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.147 3.422 5.947 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -6.463 4.246 9.427 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.408 3.438 9.504 1.00 10.00 H new ATOM 444 N ASN A 56 -10.643 2.790 5.053 1.00 10.00 N ATOM 445 CA ASN A 56 -11.278 1.601 5.619 1.00 10.00 C ATOM 446 C ASN A 56 -11.147 0.418 4.667 1.00 10.00 C ATOM 447 O ASN A 56 -10.832 -0.698 5.085 1.00 10.00 O ATOM 448 CB ASN A 56 -12.752 1.865 5.922 1.00 10.00 C ATOM 449 CG ASN A 56 -13.046 1.858 7.410 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.404 1.148 8.187 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.026 2.655 7.818 1.00 10.00 N ATOM 0 H ASN A 56 -11.277 3.574 4.899 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.768 1.360 6.552 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.040 2.829 5.502 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.363 1.108 5.430 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.272 2.696 8.807 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.533 3.227 7.142 1.00 10.00 H new ATOM 458 N GLY A 57 -11.372 0.677 3.380 1.00 10.00 N ATOM 459 CA GLY A 57 -11.264 -0.367 2.378 1.00 10.00 C ATOM 460 C GLY A 57 -9.851 -0.895 2.277 1.00 10.00 C ATOM 461 O GLY A 57 -9.633 -2.094 2.099 1.00 10.00 O ATOM 0 H GLY A 57 -11.628 1.594 3.015 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.942 -1.184 2.628 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.578 0.023 1.410 1.00 10.00 H new ATOM 465 N PHE A 58 -8.890 0.014 2.406 1.00 10.00 N ATOM 466 CA PHE A 58 -7.473 -0.333 2.353 1.00 10.00 C ATOM 467 C PHE A 58 -7.144 -1.371 3.425 1.00 10.00 C ATOM 468 O PHE A 58 -6.425 -2.342 3.170 1.00 10.00 O ATOM 469 CB PHE A 58 -6.626 0.934 2.548 1.00 10.00 C ATOM 470 CG PHE A 58 -5.153 0.682 2.713 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.554 0.805 3.956 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.366 0.332 1.626 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.201 0.582 4.112 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.010 0.107 1.779 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.429 0.232 3.022 1.00 10.00 C ATOM 0 H PHE A 58 -9.069 1.008 2.550 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.243 -0.764 1.379 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.775 1.591 1.691 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.991 1.468 3.426 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -5.152 1.078 4.812 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.817 0.234 0.650 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.746 0.681 5.086 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.407 -0.166 0.925 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.370 0.056 3.144 1.00 10.00 H new ATOM 485 N LEU A 59 -7.702 -1.171 4.615 1.00 10.00 N ATOM 486 CA LEU A 59 -7.481 -2.080 5.730 1.00 10.00 C ATOM 487 C LEU A 59 -8.116 -3.443 5.456 1.00 10.00 C ATOM 488 O LEU A 59 -7.550 -4.481 5.796 1.00 10.00 O ATOM 489 CB LEU A 59 -8.057 -1.488 7.017 1.00 10.00 C ATOM 490 CG LEU A 59 -7.600 -0.065 7.342 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.444 0.517 8.459 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.132 -0.047 7.730 1.00 10.00 C ATOM 0 H LEU A 59 -8.313 -0.383 4.830 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.406 -2.217 5.848 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.145 -1.496 6.946 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.787 -2.138 7.849 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.727 0.547 6.449 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.107 1.530 8.679 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.489 0.541 8.151 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.343 -0.101 9.351 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.828 0.975 7.957 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -5.980 -0.674 8.608 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.533 -0.429 6.904 1.00 10.00 H new ATOM 504 N GLU A 60 -9.287 -3.431 4.827 1.00 10.00 N ATOM 505 CA GLU A 60 -9.998 -4.664 4.506 1.00 10.00 C ATOM 506 C GLU A 60 -9.171 -5.534 3.569 1.00 10.00 C ATOM 507 O GLU A 60 -9.047 -6.741 3.774 1.00 10.00 O ATOM 508 CB GLU A 60 -11.355 -4.351 3.871 1.00 10.00 C ATOM 509 CG GLU A 60 -12.434 -3.987 4.879 1.00 10.00 C ATOM 510 CD GLU A 60 -12.898 -5.181 5.693 1.00 10.00 C ATOM 511 OE1 GLU A 60 -13.594 -6.052 5.131 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.575 -5.251 6.894 1.00 10.00 O ATOM 0 H GLU A 60 -9.764 -2.580 4.529 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.163 -5.212 5.434 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.235 -3.527 3.167 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.685 -5.216 3.296 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -12.053 -3.219 5.552 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.287 -3.556 4.354 1.00 10.00 H new ATOM 519 N ILE A 61 -8.584 -4.913 2.556 1.00 10.00 N ATOM 520 CA ILE A 61 -7.762 -5.635 1.601 1.00 10.00 C ATOM 521 C ILE A 61 -6.536 -6.227 2.297 1.00 10.00 C ATOM 522 O ILE A 61 -6.097 -7.332 1.975 1.00 10.00 O ATOM 523 CB ILE A 61 -7.322 -4.717 0.442 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.546 -4.064 -0.206 1.00 10.00 C ATOM 525 CG2 ILE A 61 -6.528 -5.504 -0.593 1.00 10.00 C ATOM 526 CD1 ILE A 61 -8.212 -2.867 -1.067 1.00 10.00 C ATOM 0 H ILE A 61 -8.663 -3.912 2.376 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.361 -6.445 1.186 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.678 -3.934 0.843 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -9.063 -4.806 -0.815 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -9.239 -3.755 0.577 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -6.226 -4.839 -1.403 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.641 -5.930 -0.124 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -7.148 -6.306 -0.994 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -9.128 -2.458 -1.492 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.723 -2.106 -0.459 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -7.544 -3.173 -1.872 1.00 10.00 H new ATOM 538 N MET A 62 -6.005 -5.493 3.274 1.00 10.00 N ATOM 539 CA MET A 62 -4.846 -5.944 4.035 1.00 10.00 C ATOM 540 C MET A 62 -5.190 -7.202 4.822 1.00 10.00 C ATOM 541 O MET A 62 -4.368 -8.106 4.961 1.00 10.00 O ATOM 542 CB MET A 62 -4.373 -4.858 5.006 1.00 10.00 C ATOM 543 CG MET A 62 -3.674 -3.682 4.343 1.00 10.00 C ATOM 544 SD MET A 62 -2.994 -2.524 5.550 1.00 10.00 S ATOM 545 CE MET A 62 -1.781 -3.554 6.374 1.00 10.00 C ATOM 0 H MET A 62 -6.362 -4.580 3.556 1.00 10.00 H new ATOM 0 HA MET A 62 -4.045 -6.161 3.328 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.233 -4.486 5.563 1.00 10.00 H new ATOM 0 HB3 MET A 62 -3.694 -5.307 5.731 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.872 -4.051 3.704 1.00 10.00 H new ATOM 0 HG3 MET A 62 -4.380 -3.159 3.698 1.00 10.00 H new ATOM 0 HE1 MET A 62 -1.147 -2.934 7.007 1.00 10.00 H new ATOM 0 HE2 MET A 62 -2.291 -4.296 6.988 1.00 10.00 H new ATOM 0 HE3 MET A 62 -1.167 -4.059 5.629 1.00 10.00 H new ATOM 555 N LYS A 63 -6.413 -7.253 5.331 1.00 10.00 N ATOM 556 CA LYS A 63 -6.873 -8.396 6.111 1.00 10.00 C ATOM 557 C LYS A 63 -6.879 -9.672 5.269 1.00 10.00 C ATOM 558 O LYS A 63 -6.549 -10.750 5.765 1.00 10.00 O ATOM 559 CB LYS A 63 -8.269 -8.132 6.676 1.00 10.00 C ATOM 560 CG LYS A 63 -8.317 -6.998 7.697 1.00 10.00 C ATOM 561 CD LYS A 63 -9.743 -6.683 8.128 1.00 10.00 C ATOM 562 CE LYS A 63 -9.828 -5.352 8.863 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.235 -4.964 9.136 1.00 10.00 N ATOM 0 H LYS A 63 -7.107 -6.514 5.218 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.178 -8.537 6.939 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.945 -7.897 5.854 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.640 -9.044 7.143 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.725 -7.271 8.571 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -7.861 -6.105 7.270 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.391 -6.657 7.252 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.112 -7.480 8.774 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.280 -5.420 9.803 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.346 -4.576 8.268 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.316 -3.927 9.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.854 -5.362 8.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -11.522 -5.331 10.066 1.00 10.00 H new ATOM 577 N GLU A 64 -7.243 -9.547 3.997 1.00 10.00 N ATOM 578 CA GLU A 64 -7.272 -10.696 3.098 1.00 10.00 C ATOM 579 C GLU A 64 -5.869 -11.261 2.926 1.00 10.00 C ATOM 580 O GLU A 64 -5.677 -12.478 2.848 1.00 10.00 O ATOM 581 CB GLU A 64 -7.863 -10.309 1.742 1.00 10.00 C ATOM 582 CG GLU A 64 -9.370 -10.140 1.771 1.00 10.00 C ATOM 583 CD GLU A 64 -10.018 -10.451 0.440 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.021 -11.631 0.038 1.00 10.00 O ATOM 585 OE2 GLU A 64 -10.541 -9.521 -0.212 1.00 10.00 O ATOM 0 H GLU A 64 -7.521 -8.665 3.566 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.908 -11.464 3.538 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.406 -9.378 1.407 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.604 -11.073 1.009 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.790 -10.793 2.536 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.611 -9.116 2.058 1.00 10.00 H new ATOM 592 N PHE A 65 -4.884 -10.374 2.894 1.00 10.00 N ATOM 593 CA PHE A 65 -3.499 -10.786 2.752 1.00 10.00 C ATOM 594 C PHE A 65 -3.009 -11.407 4.058 1.00 10.00 C ATOM 595 O PHE A 65 -2.218 -12.352 4.053 1.00 10.00 O ATOM 596 CB PHE A 65 -2.616 -9.600 2.356 1.00 10.00 C ATOM 597 CG PHE A 65 -1.197 -9.997 2.042 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.147 -9.567 2.838 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.918 -10.815 0.957 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.155 -9.942 2.558 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.380 -11.193 0.669 1.00 10.00 C ATOM 602 CZ PHE A 65 1.419 -10.757 1.471 1.00 10.00 C ATOM 0 H PHE A 65 -5.021 -9.366 2.965 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.435 -11.531 1.959 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.050 -9.107 1.486 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.612 -8.871 3.167 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.348 -8.931 3.688 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.726 -11.161 0.329 1.00 10.00 H new ATOM 0 HE1 PHE A 65 1.964 -9.599 3.186 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.583 -11.828 -0.181 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.434 -11.052 1.250 1.00 10.00 H new ATOM 612 N LYS A 66 -3.485 -10.867 5.179 1.00 10.00 N ATOM 613 CA LYS A 66 -3.124 -11.382 6.498 1.00 10.00 C ATOM 614 C LYS A 66 -3.693 -12.785 6.697 1.00 10.00 C ATOM 615 O LYS A 66 -3.189 -13.567 7.500 1.00 10.00 O ATOM 616 CB LYS A 66 -3.638 -10.451 7.602 1.00 10.00 C ATOM 617 CG LYS A 66 -2.925 -9.107 7.653 1.00 10.00 C ATOM 618 CD LYS A 66 -3.580 -8.163 8.650 1.00 10.00 C ATOM 619 CE LYS A 66 -3.271 -8.555 10.084 1.00 10.00 C ATOM 620 NZ LYS A 66 -4.082 -7.778 11.060 1.00 10.00 N ATOM 0 H LYS A 66 -4.123 -10.071 5.199 1.00 10.00 H new ATOM 0 HA LYS A 66 -2.037 -11.429 6.557 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.704 -10.281 7.454 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.526 -10.948 8.565 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.881 -9.259 7.927 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.932 -8.653 6.662 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -3.234 -7.145 8.469 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.659 -8.165 8.497 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.463 -9.619 10.219 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -2.212 -8.395 10.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -3.841 -8.076 12.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -3.880 -6.764 10.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -5.093 -7.951 10.887 1.00 10.00 H new ATOM 634 N SER A 67 -4.751 -13.090 5.962 1.00 10.00 N ATOM 635 CA SER A 67 -5.386 -14.398 6.036 1.00 10.00 C ATOM 636 C SER A 67 -4.829 -15.315 4.949 1.00 10.00 C ATOM 637 O SER A 67 -5.268 -16.454 4.798 1.00 10.00 O ATOM 638 CB SER A 67 -6.898 -14.250 5.881 1.00 10.00 C ATOM 639 OG SER A 67 -7.378 -13.139 6.620 1.00 10.00 O ATOM 0 H SER A 67 -5.190 -12.446 5.304 1.00 10.00 H new ATOM 0 HA SER A 67 -5.173 -14.842 7.008 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.149 -14.126 4.827 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.393 -15.159 6.222 1.00 10.00 H new ATOM 0 HG SER A 67 -7.184 -12.312 6.131 1.00 10.00 H new ATOM 645 N GLN A 68 -3.858 -14.794 4.195 1.00 10.00 N ATOM 646 CA GLN A 68 -3.210 -15.530 3.110 1.00 10.00 C ATOM 647 C GLN A 68 -4.231 -16.015 2.081 1.00 10.00 C ATOM 648 O GLN A 68 -4.054 -17.063 1.456 1.00 10.00 O ATOM 649 CB GLN A 68 -2.395 -16.703 3.655 1.00 10.00 C ATOM 650 CG GLN A 68 -1.247 -16.274 4.554 1.00 10.00 C ATOM 651 CD GLN A 68 -0.103 -17.268 4.558 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.836 -17.150 3.766 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.173 -18.254 5.433 1.00 10.00 N ATOM 0 H GLN A 68 -3.499 -13.848 4.321 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.528 -14.844 2.608 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.055 -17.367 4.213 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -1.997 -17.279 2.819 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.877 -15.303 4.226 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.616 -16.147 5.572 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -0.967 -18.315 6.070 1.00 10.00 H new ATOM 0 HE22 GLN A 68 0.567 -18.955 5.472 1.00 10.00 H new ATOM 662 N SER A 69 -5.301 -15.244 1.909 1.00 10.00 N ATOM 663 CA SER A 69 -6.337 -15.582 0.947 1.00 10.00 C ATOM 664 C SER A 69 -5.918 -15.129 -0.444 1.00 10.00 C ATOM 665 O SER A 69 -6.388 -15.645 -1.459 1.00 10.00 O ATOM 666 CB SER A 69 -7.655 -14.929 1.354 1.00 10.00 C ATOM 667 OG SER A 69 -7.918 -15.150 2.733 1.00 10.00 O ATOM 0 H SER A 69 -5.470 -14.381 2.425 1.00 10.00 H new ATOM 0 HA SER A 69 -6.477 -16.663 0.931 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.614 -13.858 1.153 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.469 -15.335 0.753 1.00 10.00 H new ATOM 0 HG SER A 69 -8.766 -14.723 2.977 1.00 10.00 H new ATOM 673 N ILE A 70 -5.010 -14.168 -0.475 1.00 10.00 N ATOM 674 CA ILE A 70 -4.495 -13.631 -1.719 1.00 10.00 C ATOM 675 C ILE A 70 -2.977 -13.570 -1.669 1.00 10.00 C ATOM 676 O ILE A 70 -2.385 -13.572 -0.585 1.00 10.00 O ATOM 677 CB ILE A 70 -5.040 -12.215 -2.002 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.885 -11.315 -0.768 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.497 -12.281 -2.444 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.141 -9.851 -1.045 1.00 10.00 C ATOM 0 H ILE A 70 -4.611 -13.740 0.361 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.823 -14.295 -2.519 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.456 -11.779 -2.813 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.573 -11.654 0.006 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.876 -11.429 -0.371 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.864 -11.273 -2.639 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.575 -12.878 -3.353 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -7.096 -12.739 -1.657 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -5.013 -9.279 -0.126 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.436 -9.494 -1.796 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.159 -9.723 -1.413 1.00 10.00 H new ATOM 692 N ASP A 71 -2.353 -13.530 -2.834 1.00 10.00 N ATOM 693 CA ASP A 71 -0.904 -13.451 -2.917 1.00 10.00 C ATOM 694 C ASP A 71 -0.497 -12.076 -3.429 1.00 10.00 C ATOM 695 O ASP A 71 -1.297 -11.137 -3.402 1.00 10.00 O ATOM 696 CB ASP A 71 -0.356 -14.551 -3.835 1.00 10.00 C ATOM 697 CG ASP A 71 1.052 -14.985 -3.466 1.00 10.00 C ATOM 698 OD1 ASP A 71 2.017 -14.273 -3.826 1.00 10.00 O ATOM 699 OD2 ASP A 71 1.197 -16.044 -2.820 1.00 10.00 O ATOM 0 H ASP A 71 -2.828 -13.551 -3.737 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.482 -13.600 -1.923 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -1.019 -15.415 -3.794 1.00 10.00 H new ATOM 0 HB3 ASP A 71 -0.362 -14.194 -4.865 1.00 10.00 H new ATOM 704 N THR A 72 0.736 -11.967 -3.895 1.00 10.00 N ATOM 705 CA THR A 72 1.256 -10.719 -4.418 1.00 10.00 C ATOM 706 C THR A 72 0.380 -10.188 -5.564 1.00 10.00 C ATOM 707 O THR A 72 -0.187 -9.105 -5.444 1.00 10.00 O ATOM 708 CB THR A 72 2.716 -10.880 -4.883 1.00 10.00 C ATOM 709 OG1 THR A 72 3.401 -11.804 -4.025 1.00 10.00 O ATOM 710 CG2 THR A 72 3.431 -9.543 -4.865 1.00 10.00 C ATOM 0 H THR A 72 1.401 -12.740 -3.921 1.00 10.00 H new ATOM 0 HA THR A 72 1.234 -9.989 -3.609 1.00 10.00 H new ATOM 0 HB THR A 72 2.715 -11.263 -5.903 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.328 -11.904 -4.326 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.461 -9.677 -5.196 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.922 -8.849 -5.534 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.425 -9.141 -3.852 1.00 10.00 H new ATOM 718 N PRO A 73 0.215 -10.944 -6.677 1.00 10.00 N ATOM 719 CA PRO A 73 -0.620 -10.497 -7.805 1.00 10.00 C ATOM 720 C PRO A 73 -2.085 -10.293 -7.408 1.00 10.00 C ATOM 721 O PRO A 73 -2.824 -9.557 -8.069 1.00 10.00 O ATOM 722 CB PRO A 73 -0.500 -11.636 -8.825 1.00 10.00 C ATOM 723 CG PRO A 73 -0.048 -12.818 -8.039 1.00 10.00 C ATOM 724 CD PRO A 73 0.819 -12.269 -6.946 1.00 10.00 C ATOM 0 HA PRO A 73 -0.290 -9.530 -8.186 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.455 -11.830 -9.313 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.215 -11.388 -9.610 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -0.898 -13.364 -7.628 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.507 -13.516 -8.666 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.806 -12.906 -6.062 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.859 -12.182 -7.261 1.00 10.00 H new ATOM 732 N GLY A 74 -2.488 -10.941 -6.319 1.00 10.00 N ATOM 733 CA GLY A 74 -3.851 -10.835 -5.843 1.00 10.00 C ATOM 734 C GLY A 74 -4.140 -9.497 -5.191 1.00 10.00 C ATOM 735 O GLY A 74 -5.119 -8.837 -5.533 1.00 10.00 O ATOM 0 H GLY A 74 -1.887 -11.542 -5.755 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.536 -10.983 -6.678 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.045 -11.633 -5.126 1.00 10.00 H new ATOM 739 N VAL A 75 -3.287 -9.086 -4.259 1.00 10.00 N ATOM 740 CA VAL A 75 -3.483 -7.813 -3.567 1.00 10.00 C ATOM 741 C VAL A 75 -3.351 -6.638 -4.538 1.00 10.00 C ATOM 742 O VAL A 75 -4.101 -5.665 -4.450 1.00 10.00 O ATOM 743 CB VAL A 75 -2.505 -7.643 -2.374 1.00 10.00 C ATOM 744 CG1 VAL A 75 -1.058 -7.576 -2.829 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.866 -6.418 -1.553 1.00 10.00 C ATOM 0 H VAL A 75 -2.461 -9.608 -3.966 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.495 -7.821 -3.163 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.606 -8.527 -1.745 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.409 -7.457 -1.961 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.798 -8.496 -3.353 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.926 -6.727 -3.500 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -2.168 -6.318 -0.722 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.811 -5.529 -2.182 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.879 -6.526 -1.165 1.00 10.00 H new ATOM 755 N ILE A 76 -2.431 -6.761 -5.490 1.00 10.00 N ATOM 756 CA ILE A 76 -2.198 -5.715 -6.481 1.00 10.00 C ATOM 757 C ILE A 76 -3.469 -5.418 -7.276 1.00 10.00 C ATOM 758 O ILE A 76 -3.777 -4.257 -7.566 1.00 10.00 O ATOM 759 CB ILE A 76 -1.060 -6.101 -7.456 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.235 -6.354 -6.682 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.847 -5.009 -8.498 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.274 -7.121 -7.470 1.00 10.00 C ATOM 0 H ILE A 76 -1.832 -7.579 -5.596 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.901 -4.820 -5.934 1.00 10.00 H new ATOM 0 HB ILE A 76 -1.347 -7.016 -7.973 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.658 -5.397 -6.375 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.002 -6.906 -5.771 1.00 10.00 H new ATOM 0 HG21 ILE A 76 -0.042 -5.302 -9.173 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.765 -4.866 -9.068 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.581 -4.077 -7.999 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.164 -7.263 -6.857 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.871 -8.093 -7.754 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.537 -6.561 -8.367 1.00 10.00 H new ATOM 774 N ARG A 77 -4.215 -6.470 -7.594 1.00 10.00 N ATOM 775 CA ARG A 77 -5.455 -6.340 -8.354 1.00 10.00 C ATOM 776 C ARG A 77 -6.466 -5.472 -7.605 1.00 10.00 C ATOM 777 O ARG A 77 -7.157 -4.649 -8.202 1.00 10.00 O ATOM 778 CB ARG A 77 -6.054 -7.722 -8.631 1.00 10.00 C ATOM 779 CG ARG A 77 -7.372 -7.682 -9.392 1.00 10.00 C ATOM 780 CD ARG A 77 -7.777 -9.063 -9.879 1.00 10.00 C ATOM 781 NE ARG A 77 -8.122 -9.965 -8.779 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.409 -11.259 -8.937 1.00 10.00 C ATOM 783 NH1 ARG A 77 -8.402 -11.811 -10.151 1.00 10.00 N ATOM 784 NH2 ARG A 77 -8.714 -12.004 -7.885 1.00 10.00 N ATOM 0 H ARG A 77 -3.981 -7.429 -7.336 1.00 10.00 H new ATOM 0 HA ARG A 77 -5.223 -5.856 -9.302 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.335 -8.311 -9.200 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -6.209 -8.237 -7.683 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -8.153 -7.279 -8.747 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -7.281 -7.007 -10.243 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -8.630 -8.972 -10.552 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -6.960 -9.495 -10.457 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.144 -9.581 -7.834 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -8.176 -11.244 -10.968 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -8.623 -12.801 -10.263 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.730 -11.589 -6.953 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.933 -12.993 -8.007 1.00 10.00 H new ATOM 798 N ARG A 78 -6.520 -5.643 -6.292 1.00 10.00 N ATOM 799 CA ARG A 78 -7.441 -4.881 -5.455 1.00 10.00 C ATOM 800 C ARG A 78 -7.024 -3.418 -5.385 1.00 10.00 C ATOM 801 O ARG A 78 -7.853 -2.519 -5.529 1.00 10.00 O ATOM 802 CB ARG A 78 -7.483 -5.467 -4.045 1.00 10.00 C ATOM 803 CG ARG A 78 -8.139 -6.833 -3.966 1.00 10.00 C ATOM 804 CD ARG A 78 -9.650 -6.733 -4.111 1.00 10.00 C ATOM 805 NE ARG A 78 -10.338 -7.515 -3.088 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.622 -7.376 -2.778 1.00 10.00 C ATOM 807 NH1 ARG A 78 -12.370 -6.493 -3.424 1.00 10.00 N ATOM 808 NH2 ARG A 78 -12.149 -8.115 -1.812 1.00 10.00 N ATOM 0 H ARG A 78 -5.936 -6.304 -5.780 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.433 -4.943 -5.902 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -6.465 -5.541 -3.662 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -8.020 -4.779 -3.392 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.739 -7.476 -4.750 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.894 -7.301 -3.013 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.955 -5.689 -4.039 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.946 -7.084 -5.099 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.797 -8.214 -2.578 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.960 -5.919 -4.161 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -13.356 -6.388 -3.185 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.569 -8.787 -1.310 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -13.135 -8.011 -1.571 1.00 10.00 H new ATOM 822 N VAL A 79 -5.731 -3.192 -5.173 1.00 10.00 N ATOM 823 CA VAL A 79 -5.185 -1.838 -5.082 1.00 10.00 C ATOM 824 C VAL A 79 -5.411 -1.069 -6.382 1.00 10.00 C ATOM 825 O VAL A 79 -5.724 0.122 -6.364 1.00 10.00 O ATOM 826 CB VAL A 79 -3.670 -1.851 -4.760 1.00 10.00 C ATOM 827 CG1 VAL A 79 -3.188 -0.454 -4.405 1.00 10.00 C ATOM 828 CG2 VAL A 79 -3.367 -2.815 -3.625 1.00 10.00 C ATOM 0 H VAL A 79 -5.037 -3.931 -5.060 1.00 10.00 H new ATOM 0 HA VAL A 79 -5.712 -1.341 -4.268 1.00 10.00 H new ATOM 0 HB VAL A 79 -3.138 -2.189 -5.650 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -2.121 -0.483 -4.182 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -3.365 0.217 -5.246 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -3.732 -0.092 -3.532 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -2.297 -2.807 -3.417 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -3.913 -2.509 -2.732 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -3.674 -3.821 -3.911 1.00 10.00 H new ATOM 838 N SER A 80 -5.277 -1.765 -7.505 1.00 10.00 N ATOM 839 CA SER A 80 -5.461 -1.157 -8.816 1.00 10.00 C ATOM 840 C SER A 80 -6.907 -0.714 -9.038 1.00 10.00 C ATOM 841 O SER A 80 -7.185 0.091 -9.927 1.00 10.00 O ATOM 842 CB SER A 80 -5.039 -2.137 -9.913 1.00 10.00 C ATOM 843 OG SER A 80 -3.709 -2.594 -9.719 1.00 10.00 O ATOM 0 H SER A 80 -5.040 -2.757 -7.533 1.00 10.00 H new ATOM 0 HA SER A 80 -4.831 -0.268 -8.860 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.720 -2.988 -9.923 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.120 -1.652 -10.886 1.00 10.00 H new ATOM 0 HG SER A 80 -3.686 -3.224 -8.969 1.00 10.00 H new ATOM 849 N GLN A 81 -7.826 -1.234 -8.232 1.00 10.00 N ATOM 850 CA GLN A 81 -9.225 -0.875 -8.364 1.00 10.00 C ATOM 851 C GLN A 81 -9.656 0.124 -7.297 1.00 10.00 C ATOM 852 O GLN A 81 -10.621 0.860 -7.488 1.00 10.00 O ATOM 853 CB GLN A 81 -10.099 -2.126 -8.314 1.00 10.00 C ATOM 854 CG GLN A 81 -10.229 -2.816 -9.660 1.00 10.00 C ATOM 855 CD GLN A 81 -11.002 -1.978 -10.658 1.00 10.00 C ATOM 856 OE1 GLN A 81 -10.307 -1.117 -11.389 1.00 10.00 O flip ATOM 857 NE2 GLN A 81 -12.220 -2.094 -10.763 1.00 10.00 N flip ATOM 0 H GLN A 81 -7.625 -1.901 -7.487 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.354 -0.392 -9.332 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.679 -2.827 -7.592 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -11.091 -1.854 -7.954 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.236 -3.026 -10.056 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.729 -3.775 -9.528 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -12.720 -2.768 -10.183 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -12.732 -1.517 -11.430 1.00 10.00 H new ATOM 866 N LEU A 82 -8.946 0.154 -6.177 1.00 10.00 N ATOM 867 CA LEU A 82 -9.273 1.089 -5.108 1.00 10.00 C ATOM 868 C LEU A 82 -8.610 2.437 -5.362 1.00 10.00 C ATOM 869 O LEU A 82 -9.274 3.475 -5.386 1.00 10.00 O ATOM 870 CB LEU A 82 -8.838 0.542 -3.753 1.00 10.00 C ATOM 871 CG LEU A 82 -9.247 1.401 -2.554 1.00 10.00 C ATOM 872 CD1 LEU A 82 -10.755 1.400 -2.374 1.00 10.00 C ATOM 873 CD2 LEU A 82 -8.575 0.910 -1.286 1.00 10.00 C ATOM 0 H LEU A 82 -8.148 -0.452 -5.986 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.355 1.221 -5.095 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -9.258 -0.456 -3.628 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.753 0.434 -3.752 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.921 2.422 -2.751 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -11.019 2.018 -1.516 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -11.229 1.802 -3.270 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -11.101 0.380 -2.207 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.880 1.535 -0.447 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -8.868 -0.122 -1.095 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -7.493 0.964 -1.404 1.00 10.00 H new ATOM 885 N PHE A 83 -7.304 2.416 -5.578 1.00 10.00 N ATOM 886 CA PHE A 83 -6.557 3.635 -5.830 1.00 10.00 C ATOM 887 C PHE A 83 -6.417 3.863 -7.330 1.00 10.00 C ATOM 888 O PHE A 83 -5.332 4.148 -7.828 1.00 10.00 O ATOM 889 CB PHE A 83 -5.172 3.563 -5.170 1.00 10.00 C ATOM 890 CG PHE A 83 -5.220 3.405 -3.676 1.00 10.00 C ATOM 891 CD1 PHE A 83 -6.114 4.141 -2.915 1.00 10.00 C ATOM 892 CD2 PHE A 83 -4.370 2.523 -3.033 1.00 10.00 C ATOM 893 CE1 PHE A 83 -6.157 3.995 -1.543 1.00 10.00 C ATOM 894 CE2 PHE A 83 -4.410 2.373 -1.662 1.00 10.00 C ATOM 895 CZ PHE A 83 -5.306 3.110 -0.916 1.00 10.00 C ATOM 0 H PHE A 83 -6.740 1.566 -5.584 1.00 10.00 H new ATOM 0 HA PHE A 83 -7.102 4.473 -5.396 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.619 2.726 -5.597 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.617 4.469 -5.413 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.784 4.836 -3.400 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -3.666 1.944 -3.612 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -6.858 4.574 -0.960 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -3.741 1.680 -1.174 1.00 10.00 H new ATOM 0 HZ PHE A 83 -5.341 2.994 0.157 1.00 10.00 H new ATOM 905 N HIS A 84 -7.530 3.735 -8.045 1.00 10.00 N ATOM 906 CA HIS A 84 -7.543 3.925 -9.495 1.00 10.00 C ATOM 907 C HIS A 84 -7.234 5.378 -9.854 1.00 10.00 C ATOM 908 O HIS A 84 -6.732 5.669 -10.940 1.00 10.00 O ATOM 909 CB HIS A 84 -8.895 3.497 -10.087 1.00 10.00 C ATOM 910 CG HIS A 84 -10.083 4.197 -9.494 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.873 3.824 -8.459 1.00 10.00 N flip ATOM 912 CD2 HIS A 84 -10.537 5.395 -9.995 1.00 10.00 C flip ATOM 913 CE1 HIS A 84 -11.825 4.799 -8.319 1.00 10.00 C flip ATOM 914 NE2 HIS A 84 -11.585 5.722 -9.260 1.00 10.00 N flip ATOM 0 H HIS A 84 -8.438 3.500 -7.644 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.766 3.295 -9.927 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -8.881 3.679 -11.162 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.015 2.423 -9.947 1.00 10.00 H new ATOM 0 HD1 HIS A 84 -10.778 2.981 -7.893 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.122 5.954 -10.820 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.619 4.820 -7.588 1.00 10.00 H new ATOM 922 N GLU A 85 -7.523 6.283 -8.927 1.00 10.00 N ATOM 923 CA GLU A 85 -7.275 7.699 -9.140 1.00 10.00 C ATOM 924 C GLU A 85 -5.884 8.080 -8.645 1.00 10.00 C ATOM 925 O GLU A 85 -5.405 9.186 -8.908 1.00 10.00 O ATOM 926 CB GLU A 85 -8.331 8.542 -8.418 1.00 10.00 C ATOM 927 CG GLU A 85 -9.639 8.677 -9.183 1.00 10.00 C ATOM 928 CD GLU A 85 -9.479 9.453 -10.473 1.00 10.00 C ATOM 929 OE1 GLU A 85 -10.083 9.052 -11.488 1.00 10.00 O ATOM 930 OE2 GLU A 85 -8.742 10.466 -10.478 1.00 10.00 O ATOM 0 H GLU A 85 -7.930 6.058 -8.019 1.00 10.00 H new ATOM 0 HA GLU A 85 -7.334 7.897 -10.210 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.535 8.096 -7.445 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.925 9.536 -8.234 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.030 7.684 -9.406 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.375 9.175 -8.552 1.00 10.00 H new ATOM 937 N HIS A 86 -5.233 7.154 -7.948 1.00 10.00 N ATOM 938 CA HIS A 86 -3.903 7.399 -7.395 1.00 10.00 C ATOM 939 C HIS A 86 -2.931 6.283 -7.777 1.00 10.00 C ATOM 940 O HIS A 86 -2.533 5.481 -6.931 1.00 10.00 O ATOM 941 CB HIS A 86 -3.976 7.509 -5.866 1.00 10.00 C ATOM 942 CG HIS A 86 -4.789 8.671 -5.362 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.169 8.636 -5.338 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.371 9.863 -4.871 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.552 9.800 -4.832 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.498 10.572 -4.535 1.00 10.00 N ATOM 0 H HIS A 86 -5.605 6.225 -7.752 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.537 8.337 -7.813 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.398 6.586 -5.468 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -2.963 7.592 -5.472 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -3.348 10.192 -4.764 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.581 10.089 -4.679 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.527 11.510 -4.135 1.00 10.00 H new ATOM 954 N PRO A 87 -2.518 6.227 -9.053 1.00 10.00 N ATOM 955 CA PRO A 87 -1.593 5.194 -9.541 1.00 10.00 C ATOM 956 C PRO A 87 -0.236 5.247 -8.846 1.00 10.00 C ATOM 957 O PRO A 87 0.448 4.232 -8.721 1.00 10.00 O ATOM 958 CB PRO A 87 -1.441 5.517 -11.031 1.00 10.00 C ATOM 959 CG PRO A 87 -1.878 6.932 -11.182 1.00 10.00 C ATOM 960 CD PRO A 87 -2.921 7.155 -10.128 1.00 10.00 C ATOM 0 HA PRO A 87 -1.973 4.191 -9.345 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.409 5.389 -11.356 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.052 4.851 -11.640 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -1.039 7.616 -11.052 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.284 7.111 -12.177 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -2.931 8.189 -9.784 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -3.922 6.932 -10.498 1.00 10.00 H new ATOM 968 N ASP A 88 0.129 6.437 -8.375 1.00 10.00 N ATOM 969 CA ASP A 88 1.403 6.659 -7.690 1.00 10.00 C ATOM 970 C ASP A 88 1.572 5.739 -6.491 1.00 10.00 C ATOM 971 O ASP A 88 2.663 5.232 -6.241 1.00 10.00 O ATOM 972 CB ASP A 88 1.509 8.110 -7.223 1.00 10.00 C ATOM 973 CG ASP A 88 2.252 8.996 -8.201 1.00 10.00 C ATOM 974 OD1 ASP A 88 3.246 8.530 -8.797 1.00 10.00 O ATOM 975 OD2 ASP A 88 1.848 10.165 -8.373 1.00 10.00 O ATOM 0 H ASP A 88 -0.448 7.274 -8.456 1.00 10.00 H new ATOM 0 HA ASP A 88 2.194 6.438 -8.407 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.507 8.510 -7.069 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.016 8.139 -6.258 1.00 10.00 H new ATOM 980 N LEU A 89 0.485 5.514 -5.762 1.00 10.00 N ATOM 981 CA LEU A 89 0.527 4.670 -4.576 1.00 10.00 C ATOM 982 C LEU A 89 0.873 3.230 -4.936 1.00 10.00 C ATOM 983 O LEU A 89 1.694 2.597 -4.274 1.00 10.00 O ATOM 984 CB LEU A 89 -0.816 4.721 -3.847 1.00 10.00 C ATOM 985 CG LEU A 89 -1.205 6.095 -3.292 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.580 6.044 -2.648 1.00 10.00 C ATOM 987 CD2 LEU A 89 -0.174 6.581 -2.286 1.00 10.00 C ATOM 0 H LEU A 89 -0.434 5.904 -5.972 1.00 10.00 H new ATOM 0 HA LEU A 89 1.308 5.051 -3.917 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.596 4.390 -4.532 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.791 4.008 -3.023 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.236 6.798 -4.125 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.837 7.030 -2.260 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.319 5.742 -3.391 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.572 5.323 -1.830 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.470 7.558 -1.905 1.00 10.00 H new ATOM 0 HD22 LEU A 89 -0.110 5.873 -1.460 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.799 6.660 -2.771 1.00 10.00 H new ATOM 999 N ILE A 90 0.269 2.736 -6.006 1.00 10.00 N ATOM 1000 CA ILE A 90 0.494 1.366 -6.450 1.00 10.00 C ATOM 1001 C ILE A 90 1.877 1.214 -7.079 1.00 10.00 C ATOM 1002 O ILE A 90 2.572 0.216 -6.856 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.572 0.925 -7.475 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -1.929 1.563 -7.149 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.688 -0.596 -7.497 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -2.975 1.365 -8.225 1.00 10.00 C ATOM 0 H ILE A 90 -0.383 3.264 -6.586 1.00 10.00 H new ATOM 0 HA ILE A 90 0.425 0.731 -5.567 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.263 1.264 -8.464 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.301 1.145 -6.214 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -1.787 2.631 -6.986 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.444 -0.893 -8.224 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.273 -1.030 -7.774 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -0.976 -0.953 -6.508 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -3.905 1.844 -7.921 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.626 1.809 -9.157 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.148 0.299 -8.373 1.00 10.00 H new ATOM 1018 N VAL A 91 2.269 2.207 -7.869 1.00 10.00 N ATOM 1019 CA VAL A 91 3.570 2.200 -8.535 1.00 10.00 C ATOM 1020 C VAL A 91 4.695 2.325 -7.515 1.00 10.00 C ATOM 1021 O VAL A 91 5.647 1.545 -7.528 1.00 10.00 O ATOM 1022 CB VAL A 91 3.683 3.338 -9.577 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.087 3.405 -10.163 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.650 3.156 -10.682 1.00 10.00 C ATOM 0 H VAL A 91 1.702 3.032 -8.066 1.00 10.00 H new ATOM 0 HA VAL A 91 3.661 1.248 -9.058 1.00 10.00 H new ATOM 0 HB VAL A 91 3.484 4.282 -9.069 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.139 4.213 -10.892 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.806 3.590 -9.365 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.323 2.460 -10.652 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.745 3.966 -11.406 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.816 2.202 -11.182 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.649 3.170 -10.250 1.00 10.00 H new ATOM 1034 N GLY A 92 4.561 3.288 -6.612 1.00 10.00 N ATOM 1035 CA GLY A 92 5.573 3.505 -5.595 1.00 10.00 C ATOM 1036 C GLY A 92 5.748 2.305 -4.688 1.00 10.00 C ATOM 1037 O GLY A 92 6.848 2.042 -4.208 1.00 10.00 O ATOM 0 H GLY A 92 3.766 3.925 -6.566 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.524 3.735 -6.076 1.00 10.00 H new ATOM 0 HA3 GLY A 92 5.301 4.374 -4.995 1.00 10.00 H new ATOM 1041 N PHE A 93 4.667 1.562 -4.473 1.00 10.00 N ATOM 1042 CA PHE A 93 4.703 0.377 -3.623 1.00 10.00 C ATOM 1043 C PHE A 93 5.620 -0.697 -4.211 1.00 10.00 C ATOM 1044 O PHE A 93 6.165 -1.524 -3.483 1.00 10.00 O ATOM 1045 CB PHE A 93 3.290 -0.181 -3.436 1.00 10.00 C ATOM 1046 CG PHE A 93 3.241 -1.416 -2.580 1.00 10.00 C ATOM 1047 CD1 PHE A 93 3.644 -1.375 -1.255 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.799 -2.619 -3.105 1.00 10.00 C ATOM 1049 CE1 PHE A 93 3.607 -2.512 -0.473 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.759 -3.757 -2.325 1.00 10.00 C ATOM 1051 CZ PHE A 93 3.165 -3.702 -1.008 1.00 10.00 C ATOM 0 H PHE A 93 3.752 1.761 -4.877 1.00 10.00 H new ATOM 0 HA PHE A 93 5.103 0.669 -2.652 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.661 0.588 -2.987 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.866 -0.409 -4.414 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.990 -0.445 -0.830 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.482 -2.667 -4.136 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.925 -2.469 0.558 1.00 10.00 H new ATOM 0 HE2 PHE A 93 2.410 -4.689 -2.745 1.00 10.00 H new ATOM 0 HZ PHE A 93 3.136 -4.592 -0.396 1.00 10.00 H new ATOM 1061 N ASN A 94 5.811 -0.661 -5.528 1.00 10.00 N ATOM 1062 CA ASN A 94 6.672 -1.632 -6.205 1.00 10.00 C ATOM 1063 C ASN A 94 8.111 -1.488 -5.730 1.00 10.00 C ATOM 1064 O ASN A 94 8.848 -2.470 -5.630 1.00 10.00 O ATOM 1065 CB ASN A 94 6.605 -1.453 -7.724 1.00 10.00 C ATOM 1066 CG ASN A 94 5.715 -2.483 -8.386 1.00 10.00 C ATOM 1067 OD1 ASN A 94 6.168 -3.565 -8.759 1.00 10.00 O ATOM 1068 ND2 ASN A 94 4.443 -2.151 -8.551 1.00 10.00 N ATOM 0 H ASN A 94 5.383 0.027 -6.147 1.00 10.00 H new ATOM 0 HA ASN A 94 6.314 -2.631 -5.956 1.00 10.00 H new ATOM 0 HB2 ASN A 94 6.234 -0.454 -7.954 1.00 10.00 H new ATOM 0 HB3 ASN A 94 7.610 -1.523 -8.140 1.00 10.00 H new ATOM 0 HD21 ASN A 94 3.800 -2.802 -9.001 1.00 10.00 H new ATOM 0 HD22 ASN A 94 4.107 -1.244 -8.228 1.00 10.00 H new ATOM 1075 N ALA A 95 8.504 -0.259 -5.425 1.00 10.00 N ATOM 1076 CA ALA A 95 9.850 0.008 -4.947 1.00 10.00 C ATOM 1077 C ALA A 95 9.873 0.048 -3.426 1.00 10.00 C ATOM 1078 O ALA A 95 10.927 -0.065 -2.801 1.00 10.00 O ATOM 1079 CB ALA A 95 10.377 1.310 -5.529 1.00 10.00 C ATOM 0 H ALA A 95 7.910 0.567 -5.500 1.00 10.00 H new ATOM 0 HA ALA A 95 10.502 -0.799 -5.280 1.00 10.00 H new ATOM 0 HB1 ALA A 95 11.386 1.492 -5.159 1.00 10.00 H new ATOM 0 HB2 ALA A 95 10.396 1.241 -6.617 1.00 10.00 H new ATOM 0 HB3 ALA A 95 9.727 2.132 -5.229 1.00 10.00 H new ATOM 1085 N PHE A 96 8.692 0.187 -2.833 1.00 10.00 N ATOM 1086 CA PHE A 96 8.559 0.237 -1.383 1.00 10.00 C ATOM 1087 C PHE A 96 8.377 -1.166 -0.816 1.00 10.00 C ATOM 1088 O PHE A 96 7.699 -1.368 0.193 1.00 10.00 O ATOM 1089 CB PHE A 96 7.388 1.135 -0.982 1.00 10.00 C ATOM 1090 CG PHE A 96 7.816 2.392 -0.278 1.00 10.00 C ATOM 1091 CD1 PHE A 96 8.832 3.179 -0.795 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.201 2.788 0.897 1.00 10.00 C ATOM 1093 CE1 PHE A 96 9.225 4.337 -0.154 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.590 3.944 1.543 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.603 4.719 1.017 1.00 10.00 C ATOM 0 H PHE A 96 7.809 0.267 -3.338 1.00 10.00 H new ATOM 0 HA PHE A 96 9.473 0.660 -0.967 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.822 1.402 -1.874 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.715 0.575 -0.333 1.00 10.00 H new ATOM 0 HD1 PHE A 96 9.323 2.883 -1.711 1.00 10.00 H new ATOM 0 HD2 PHE A 96 6.407 2.185 1.313 1.00 10.00 H new ATOM 0 HE1 PHE A 96 10.018 4.943 -0.568 1.00 10.00 H new ATOM 0 HE2 PHE A 96 7.102 4.242 2.459 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.909 5.624 1.521 1.00 10.00 H new ATOM 1105 N LEU A 97 8.984 -2.133 -1.487 1.00 10.00 N ATOM 1106 CA LEU A 97 8.923 -3.520 -1.066 1.00 10.00 C ATOM 1107 C LEU A 97 10.336 -4.032 -0.825 1.00 10.00 C ATOM 1108 O LEU A 97 11.107 -4.193 -1.772 1.00 10.00 O ATOM 1109 CB LEU A 97 8.225 -4.381 -2.128 1.00 10.00 C ATOM 1110 CG LEU A 97 6.717 -4.549 -1.947 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.103 -5.188 -3.182 1.00 10.00 C ATOM 1112 CD2 LEU A 97 6.410 -5.387 -0.711 1.00 10.00 C ATOM 0 H LEU A 97 9.530 -1.977 -2.335 1.00 10.00 H new ATOM 0 HA LEU A 97 8.346 -3.586 -0.144 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.409 -3.940 -3.108 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.686 -5.369 -2.131 1.00 10.00 H new ATOM 0 HG LEU A 97 6.279 -3.561 -1.809 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.029 -5.301 -3.037 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.288 -4.554 -4.049 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.552 -6.168 -3.346 1.00 10.00 H new ATOM 0 HD21 LEU A 97 5.331 -5.493 -0.602 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.863 -6.373 -0.818 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.817 -4.895 0.172 1.00 10.00 H new ATOM 1124 N PRO A 98 10.716 -4.251 0.447 1.00 10.00 N ATOM 1125 CA PRO A 98 12.050 -4.743 0.793 1.00 10.00 C ATOM 1126 C PRO A 98 12.337 -6.098 0.158 1.00 10.00 C ATOM 1127 O PRO A 98 13.379 -6.292 -0.471 1.00 10.00 O ATOM 1128 CB PRO A 98 12.031 -4.851 2.322 1.00 10.00 C ATOM 1129 CG PRO A 98 10.597 -4.780 2.723 1.00 10.00 C ATOM 1130 CD PRO A 98 9.882 -4.019 1.641 1.00 10.00 C ATOM 0 HA PRO A 98 12.833 -4.079 0.427 1.00 10.00 H new ATOM 0 HB2 PRO A 98 12.482 -5.787 2.652 1.00 10.00 H new ATOM 0 HB3 PRO A 98 12.604 -4.043 2.777 1.00 10.00 H new ATOM 0 HG2 PRO A 98 10.177 -5.779 2.835 1.00 10.00 H new ATOM 0 HG3 PRO A 98 10.489 -4.279 3.685 1.00 10.00 H new ATOM 0 HD2 PRO A 98 8.865 -4.385 1.498 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.808 -2.958 1.879 1.00 10.00 H new ATOM 1138 N SER A 99 11.405 -7.025 0.309 1.00 10.00 N ATOM 1139 CA SER A 99 11.548 -8.357 -0.255 1.00 10.00 C ATOM 1140 C SER A 99 11.502 -8.296 -1.783 1.00 10.00 C ATOM 1141 O SER A 99 10.508 -7.855 -2.363 1.00 10.00 O ATOM 1142 CB SER A 99 10.430 -9.256 0.277 1.00 10.00 C ATOM 1143 OG SER A 99 9.891 -8.724 1.484 1.00 10.00 O ATOM 0 H SER A 99 10.535 -6.877 0.821 1.00 10.00 H new ATOM 0 HA SER A 99 12.512 -8.771 0.040 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.642 -9.347 -0.471 1.00 10.00 H new ATOM 0 HB3 SER A 99 10.817 -10.259 0.456 1.00 10.00 H new ATOM 0 HG SER A 99 9.176 -9.310 1.809 1.00 10.00 H new ATOM 1149 N GLY A 100 12.586 -8.708 -2.424 1.00 10.00 N ATOM 1150 CA GLY A 100 12.638 -8.687 -3.870 1.00 10.00 C ATOM 1151 C GLY A 100 13.825 -9.450 -4.419 1.00 10.00 C ATOM 1152 O GLY A 100 14.113 -10.561 -3.972 1.00 10.00 O ATOM 0 H GLY A 100 13.430 -9.056 -1.968 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.719 -9.115 -4.270 1.00 10.00 H new ATOM 0 HA3 GLY A 100 12.684 -7.654 -4.214 1.00 10.00 H new ATOM 1156 N PRO A 101 14.539 -8.876 -5.400 1.00 10.00 N ATOM 1157 CA PRO A 101 15.700 -9.519 -6.019 1.00 10.00 C ATOM 1158 C PRO A 101 16.990 -9.335 -5.220 1.00 10.00 C ATOM 1159 O PRO A 101 18.081 -9.593 -5.727 1.00 10.00 O ATOM 1160 CB PRO A 101 15.794 -8.805 -7.364 1.00 10.00 C ATOM 1161 CG PRO A 101 15.256 -7.443 -7.117 1.00 10.00 C ATOM 1162 CD PRO A 101 14.251 -7.561 -6.004 1.00 10.00 C ATOM 0 HA PRO A 101 15.581 -10.600 -6.086 1.00 10.00 H new ATOM 0 HB2 PRO A 101 16.824 -8.764 -7.717 1.00 10.00 H new ATOM 0 HB3 PRO A 101 15.216 -9.325 -8.128 1.00 10.00 H new ATOM 0 HG2 PRO A 101 16.057 -6.756 -6.842 1.00 10.00 H new ATOM 0 HG3 PRO A 101 14.789 -7.044 -8.017 1.00 10.00 H new ATOM 0 HD2 PRO A 101 14.363 -6.755 -5.278 1.00 10.00 H new ATOM 0 HD3 PRO A 101 13.230 -7.510 -6.382 1.00 10.00 H new ATOM 1170 N SER A 102 16.865 -8.884 -3.981 1.00 10.00 N ATOM 1171 CA SER A 102 18.023 -8.684 -3.126 1.00 10.00 C ATOM 1172 C SER A 102 18.571 -10.031 -2.653 1.00 10.00 C ATOM 1173 O SER A 102 17.884 -11.052 -2.729 1.00 10.00 O ATOM 1174 CB SER A 102 17.637 -7.808 -1.933 1.00 10.00 C ATOM 1175 OG SER A 102 16.777 -6.757 -2.342 1.00 10.00 O ATOM 0 H SER A 102 15.973 -8.650 -3.546 1.00 10.00 H new ATOM 0 HA SER A 102 18.805 -8.179 -3.693 1.00 10.00 H new ATOM 0 HB2 SER A 102 17.143 -8.415 -1.174 1.00 10.00 H new ATOM 0 HB3 SER A 102 18.535 -7.393 -1.474 1.00 10.00 H new ATOM 0 HG SER A 102 16.539 -6.208 -1.566 1.00 10.00 H new ATOM 1181 N SER A 103 19.808 -10.028 -2.174 1.00 10.00 N ATOM 1182 CA SER A 103 20.446 -11.245 -1.689 1.00 10.00 C ATOM 1183 C SER A 103 19.845 -11.668 -0.354 1.00 10.00 C ATOM 1184 O SER A 103 20.111 -11.057 0.682 1.00 10.00 O ATOM 1185 CB SER A 103 21.956 -11.030 -1.549 1.00 10.00 C ATOM 1186 OG SER A 103 22.508 -10.506 -2.746 1.00 10.00 O ATOM 0 H SER A 103 20.391 -9.194 -2.111 1.00 10.00 H new ATOM 0 HA SER A 103 20.271 -12.041 -2.413 1.00 10.00 H new ATOM 0 HB2 SER A 103 22.155 -10.347 -0.723 1.00 10.00 H new ATOM 0 HB3 SER A 103 22.440 -11.975 -1.304 1.00 10.00 H new ATOM 0 HG SER A 103 23.473 -10.376 -2.632 1.00 10.00 H new ATOM 1192 N GLY A 104 19.014 -12.700 -0.390 1.00 10.00 N ATOM 1193 CA GLY A 104 18.388 -13.194 0.820 1.00 10.00 C ATOM 1194 C GLY A 104 17.161 -14.032 0.533 1.00 10.00 C ATOM 1195 O GLY A 104 16.638 -14.020 -0.586 1.00 10.00 O ATOM 0 H GLY A 104 18.761 -13.206 -1.239 1.00 10.00 H new ATOM 0 HA2 GLY A 104 19.108 -13.789 1.382 1.00 10.00 H new ATOM 0 HA3 GLY A 104 18.109 -12.351 1.452 1.00 10.00 H new