USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 10:sc= 0.576! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.0815 F(o=-0.91,f=0.081) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -162:sc= 0.763 USER MOD Single : A 19 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.66 (180deg=-1.11) USER MOD Single : A 26 SER OG : rot -39:sc= 0.00676 USER MOD Single : A 30 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.155 K(o=-0.15,f=-0.69) USER MOD Single : A 38 MET CE :methyl 164:sc= -0.0874 (180deg=-0.364) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0.575 (180deg=0.195) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -49:sc= 0.00368 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.121 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.82! C(o=-4.4!,f=-2.8!) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.648 F(o=-1.9,f=-0.65) USER MOD Single : A 70 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.095 11.996 10.550 1.00 0.00 N ATOM 2 CA GLY A 1 22.284 10.607 10.173 1.00 0.00 C ATOM 3 C GLY A 1 21.346 10.176 9.062 1.00 0.00 C ATOM 4 O GLY A 1 21.541 10.536 7.902 1.00 0.00 O ATOM 0 H1 GLY A 1 22.759 12.242 11.312 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.271 12.606 9.727 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.119 12.136 10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.315 10.458 9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.126 9.972 11.045 1.00 0.00 H new ATOM 8 N SER A 2 20.327 9.400 9.418 1.00 0.00 N ATOM 9 CA SER A 2 19.359 8.914 8.442 1.00 0.00 C ATOM 10 C SER A 2 18.129 8.338 9.137 1.00 0.00 C ATOM 11 O SER A 2 18.235 7.416 9.946 1.00 0.00 O ATOM 12 CB SER A 2 19.997 7.852 7.545 1.00 0.00 C ATOM 13 OG SER A 2 20.114 6.614 8.225 1.00 0.00 O ATOM 0 H SER A 2 20.151 9.095 10.375 1.00 0.00 H new ATOM 0 HA SER A 2 19.045 9.757 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.395 7.721 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.982 8.188 7.222 1.00 0.00 H new ATOM 0 HG SER A 2 19.617 6.656 9.068 1.00 0.00 H new ATOM 19 N SER A 3 16.963 8.888 8.816 1.00 0.00 N ATOM 20 CA SER A 3 15.712 8.432 9.411 1.00 0.00 C ATOM 21 C SER A 3 15.357 7.031 8.923 1.00 0.00 C ATOM 22 O SER A 3 15.138 6.814 7.732 1.00 0.00 O ATOM 23 CB SER A 3 14.579 9.404 9.076 1.00 0.00 C ATOM 24 OG SER A 3 13.324 8.880 9.472 1.00 0.00 O ATOM 0 H SER A 3 16.858 9.651 8.147 1.00 0.00 H new ATOM 0 HA SER A 3 15.844 8.398 10.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.753 10.357 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.572 9.603 8.004 1.00 0.00 H new ATOM 0 HG SER A 3 12.617 9.521 9.248 1.00 0.00 H new ATOM 30 N GLY A 4 15.301 6.083 9.853 1.00 0.00 N ATOM 31 CA GLY A 4 14.972 4.715 9.499 1.00 0.00 C ATOM 32 C GLY A 4 15.008 3.782 10.693 1.00 0.00 C ATOM 33 O GLY A 4 15.967 3.787 11.465 1.00 0.00 O ATOM 0 H GLY A 4 15.478 6.238 10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.979 4.688 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.673 4.360 8.743 1.00 0.00 H new ATOM 37 N SER A 5 13.960 2.980 10.847 1.00 0.00 N ATOM 38 CA SER A 5 13.873 2.041 11.960 1.00 0.00 C ATOM 39 C SER A 5 13.740 0.608 11.452 1.00 0.00 C ATOM 40 O SER A 5 12.665 0.185 11.028 1.00 0.00 O ATOM 41 CB SER A 5 12.682 2.388 12.856 1.00 0.00 C ATOM 42 OG SER A 5 13.008 3.437 13.752 1.00 0.00 O ATOM 0 H SER A 5 13.159 2.961 10.216 1.00 0.00 H new ATOM 0 HA SER A 5 14.792 2.119 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.833 2.682 12.240 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.377 1.506 13.419 1.00 0.00 H new ATOM 0 HG SER A 5 12.231 3.642 14.313 1.00 0.00 H new ATOM 48 N SER A 6 14.843 -0.133 11.499 1.00 0.00 N ATOM 49 CA SER A 6 14.852 -1.518 11.041 1.00 0.00 C ATOM 50 C SER A 6 14.435 -2.464 12.162 1.00 0.00 C ATOM 51 O SER A 6 14.569 -2.143 13.343 1.00 0.00 O ATOM 52 CB SER A 6 16.243 -1.898 10.528 1.00 0.00 C ATOM 53 OG SER A 6 16.550 -1.210 9.328 1.00 0.00 O ATOM 0 H SER A 6 15.741 0.202 11.849 1.00 0.00 H new ATOM 0 HA SER A 6 14.134 -1.610 10.226 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.990 -1.664 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.289 -2.973 10.356 1.00 0.00 H new ATOM 0 HG SER A 6 17.444 -1.469 9.022 1.00 0.00 H new ATOM 59 N GLY A 7 13.928 -3.634 11.784 1.00 0.00 N ATOM 60 CA GLY A 7 13.498 -4.609 12.768 1.00 0.00 C ATOM 61 C GLY A 7 12.024 -4.487 13.100 1.00 0.00 C ATOM 62 O GLY A 7 11.645 -3.759 14.018 1.00 0.00 O ATOM 0 H GLY A 7 13.808 -3.923 10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.701 -5.612 12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.084 -4.484 13.679 1.00 0.00 H new ATOM 66 N VAL A 8 11.189 -5.201 12.352 1.00 0.00 N ATOM 67 CA VAL A 8 9.748 -5.169 12.571 1.00 0.00 C ATOM 68 C VAL A 8 9.249 -6.494 13.136 1.00 0.00 C ATOM 69 O VAL A 8 9.325 -7.531 12.475 1.00 0.00 O ATOM 70 CB VAL A 8 8.989 -4.860 11.267 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.417 -3.513 10.706 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.211 -5.967 10.247 1.00 0.00 C ATOM 0 H VAL A 8 11.486 -5.809 11.589 1.00 0.00 H new ATOM 0 HA VAL A 8 9.554 -4.374 13.292 1.00 0.00 H new ATOM 0 HB VAL A 8 7.923 -4.811 11.490 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.870 -3.312 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.202 -2.731 11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.487 -3.529 10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.668 -5.733 9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.275 -6.050 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.849 -6.912 10.652 1.00 0.00 H new ATOM 82 N HIS A 9 8.737 -6.453 14.362 1.00 0.00 N ATOM 83 CA HIS A 9 8.223 -7.651 15.016 1.00 0.00 C ATOM 84 C HIS A 9 7.047 -8.233 14.237 1.00 0.00 C ATOM 85 O HIS A 9 6.383 -7.529 13.476 1.00 0.00 O ATOM 86 CB HIS A 9 7.793 -7.331 16.448 1.00 0.00 C ATOM 87 CG HIS A 9 8.841 -6.615 17.242 1.00 0.00 C ATOM 88 ND1 HIS A 9 9.255 -5.326 17.204 1.00 0.00 N flip ATOM 89 CD2 HIS A 9 9.602 -7.231 18.213 1.00 0.00 C flip ATOM 90 CE1 HIS A 9 10.247 -5.189 18.143 1.00 0.00 C flip ATOM 91 NE2 HIS A 9 10.437 -6.353 18.738 1.00 0.00 N flip ATOM 0 H HIS A 9 8.667 -5.604 14.922 1.00 0.00 H new ATOM 0 HA HIS A 9 9.022 -8.392 15.042 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.890 -6.721 16.420 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.534 -8.259 16.957 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.527 -8.270 18.499 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.785 -4.278 18.360 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.114 -6.542 19.477 1.00 0.00 H new ATOM 100 N VAL A 10 6.795 -9.524 14.432 1.00 0.00 N ATOM 101 CA VAL A 10 5.700 -10.201 13.749 1.00 0.00 C ATOM 102 C VAL A 10 4.498 -9.277 13.589 1.00 0.00 C ATOM 103 O VAL A 10 4.229 -8.776 12.497 1.00 0.00 O ATOM 104 CB VAL A 10 5.262 -11.468 14.507 1.00 0.00 C ATOM 105 CG1 VAL A 10 6.040 -12.680 14.016 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.443 -11.280 16.006 1.00 0.00 C ATOM 0 H VAL A 10 7.335 -10.122 15.058 1.00 0.00 H new ATOM 0 HA VAL A 10 6.070 -10.486 12.764 1.00 0.00 H new ATOM 0 HB VAL A 10 4.204 -11.641 14.310 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.717 -13.566 14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.856 -12.824 12.951 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.105 -12.520 14.181 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.129 -12.185 16.527 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.493 -11.082 16.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.838 -10.439 16.343 1.00 0.00 H new ATOM 116 N GLU A 11 3.777 -9.057 14.684 1.00 0.00 N ATOM 117 CA GLU A 11 2.603 -8.193 14.664 1.00 0.00 C ATOM 118 C GLU A 11 2.970 -6.785 14.203 1.00 0.00 C ATOM 119 O GLU A 11 3.187 -5.890 15.020 1.00 0.00 O ATOM 120 CB GLU A 11 1.961 -8.136 16.052 1.00 0.00 C ATOM 121 CG GLU A 11 0.515 -7.668 16.035 1.00 0.00 C ATOM 122 CD GLU A 11 -0.110 -7.657 17.417 1.00 0.00 C ATOM 123 OE1 GLU A 11 0.514 -7.104 18.346 1.00 0.00 O ATOM 124 OE2 GLU A 11 -1.224 -8.201 17.568 1.00 0.00 O ATOM 0 H GLU A 11 3.985 -9.465 15.595 1.00 0.00 H new ATOM 0 HA GLU A 11 1.887 -8.612 13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.008 -9.126 16.506 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.543 -7.467 16.685 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.466 -6.665 15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.066 -8.319 15.382 1.00 0.00 H new ATOM 131 N ASP A 12 3.039 -6.599 12.890 1.00 0.00 N ATOM 132 CA ASP A 12 3.380 -5.301 12.319 1.00 0.00 C ATOM 133 C ASP A 12 2.364 -4.890 11.258 1.00 0.00 C ATOM 134 O ASP A 12 2.732 -4.491 10.154 1.00 0.00 O ATOM 135 CB ASP A 12 4.783 -5.339 11.712 1.00 0.00 C ATOM 136 CG ASP A 12 4.998 -6.552 10.827 1.00 0.00 C ATOM 137 OD1 ASP A 12 4.061 -6.921 10.088 1.00 0.00 O ATOM 138 OD2 ASP A 12 6.103 -7.131 10.873 1.00 0.00 O ATOM 0 H ASP A 12 2.863 -7.330 12.201 1.00 0.00 H new ATOM 0 HA ASP A 12 3.360 -4.563 13.121 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.948 -4.433 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.522 -5.341 12.513 1.00 0.00 H new ATOM 143 N ALA A 13 1.084 -4.992 11.601 1.00 0.00 N ATOM 144 CA ALA A 13 0.015 -4.631 10.678 1.00 0.00 C ATOM 145 C ALA A 13 -0.526 -3.239 10.984 1.00 0.00 C ATOM 146 O ALA A 13 -0.418 -2.325 10.164 1.00 0.00 O ATOM 147 CB ALA A 13 -1.105 -5.660 10.739 1.00 0.00 C ATOM 0 H ALA A 13 0.762 -5.322 12.511 1.00 0.00 H new ATOM 0 HA ALA A 13 0.428 -4.619 9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.897 -5.378 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.714 -6.640 10.465 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.507 -5.700 11.751 1.00 0.00 H new ATOM 153 N LEU A 14 -1.110 -3.082 12.167 1.00 0.00 N ATOM 154 CA LEU A 14 -1.669 -1.800 12.581 1.00 0.00 C ATOM 155 C LEU A 14 -0.633 -0.688 12.454 1.00 0.00 C ATOM 156 O LEU A 14 -0.976 0.472 12.220 1.00 0.00 O ATOM 157 CB LEU A 14 -2.173 -1.883 14.023 1.00 0.00 C ATOM 158 CG LEU A 14 -1.172 -2.405 15.054 1.00 0.00 C ATOM 159 CD1 LEU A 14 -0.209 -1.304 15.469 1.00 0.00 C ATOM 160 CD2 LEU A 14 -1.899 -2.965 16.268 1.00 0.00 C ATOM 0 H LEU A 14 -1.209 -3.827 12.857 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.507 -1.567 11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.497 -0.889 14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.053 -2.526 14.043 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.596 -3.210 14.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.496 -1.695 16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.337 -0.950 14.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.768 -0.477 15.907 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.171 -3.332 16.991 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.501 -2.180 16.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.547 -3.785 15.958 1.00 0.00 H new ATOM 172 N THR A 15 0.637 -1.048 12.609 1.00 0.00 N ATOM 173 CA THR A 15 1.723 -0.082 12.512 1.00 0.00 C ATOM 174 C THR A 15 1.532 0.841 11.313 1.00 0.00 C ATOM 175 O THR A 15 1.423 2.058 11.466 1.00 0.00 O ATOM 176 CB THR A 15 3.090 -0.783 12.393 1.00 0.00 C ATOM 177 OG1 THR A 15 3.389 -1.482 13.606 1.00 0.00 O ATOM 178 CG2 THR A 15 4.191 0.225 12.098 1.00 0.00 C ATOM 0 H THR A 15 0.939 -2.003 12.802 1.00 0.00 H new ATOM 0 HA THR A 15 1.704 0.508 13.428 1.00 0.00 H new ATOM 0 HB THR A 15 3.039 -1.493 11.568 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.258 -1.926 13.522 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.147 -0.293 12.018 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.975 0.735 11.159 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.241 0.956 12.905 1.00 0.00 H new ATOM 186 N TYR A 16 1.491 0.255 10.122 1.00 0.00 N ATOM 187 CA TYR A 16 1.315 1.025 8.897 1.00 0.00 C ATOM 188 C TYR A 16 -0.059 1.687 8.863 1.00 0.00 C ATOM 189 O TYR A 16 -0.238 2.743 8.253 1.00 0.00 O ATOM 190 CB TYR A 16 1.489 0.124 7.673 1.00 0.00 C ATOM 191 CG TYR A 16 1.296 0.844 6.358 1.00 0.00 C ATOM 192 CD1 TYR A 16 0.027 1.189 5.912 1.00 0.00 C ATOM 193 CD2 TYR A 16 2.385 1.181 5.562 1.00 0.00 C ATOM 194 CE1 TYR A 16 -0.154 1.846 4.710 1.00 0.00 C ATOM 195 CE2 TYR A 16 2.213 1.840 4.360 1.00 0.00 C ATOM 196 CZ TYR A 16 0.942 2.170 3.938 1.00 0.00 C ATOM 197 OH TYR A 16 0.767 2.826 2.742 1.00 0.00 O ATOM 0 H TYR A 16 1.577 -0.751 9.979 1.00 0.00 H new ATOM 0 HA TYR A 16 2.076 1.805 8.876 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.487 -0.315 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.777 -0.699 7.734 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.833 0.939 6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.382 0.923 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.148 2.104 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.070 2.096 3.754 1.00 0.00 H new ATOM 0 HH TYR A 16 1.577 2.735 2.198 1.00 0.00 H new ATOM 207 N LEU A 17 -1.027 1.061 9.522 1.00 0.00 N ATOM 208 CA LEU A 17 -2.386 1.588 9.570 1.00 0.00 C ATOM 209 C LEU A 17 -2.404 2.996 10.156 1.00 0.00 C ATOM 210 O LEU A 17 -2.797 3.952 9.488 1.00 0.00 O ATOM 211 CB LEU A 17 -3.283 0.667 10.399 1.00 0.00 C ATOM 212 CG LEU A 17 -4.775 0.707 10.067 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.408 1.981 10.605 1.00 0.00 C ATOM 214 CD2 LEU A 17 -4.991 0.595 8.565 1.00 0.00 C ATOM 0 H LEU A 17 -0.896 0.187 10.031 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.767 1.634 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.931 -0.357 10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.158 0.922 11.451 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.257 -0.145 10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.470 1.992 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.286 2.019 11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.923 2.847 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.059 0.625 8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.495 1.426 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.574 -0.346 8.207 1.00 0.00 H new ATOM 226 N ASP A 18 -1.973 3.116 11.407 1.00 0.00 N ATOM 227 CA ASP A 18 -1.936 4.408 12.082 1.00 0.00 C ATOM 228 C ASP A 18 -1.207 5.445 11.232 1.00 0.00 C ATOM 229 O ASP A 18 -1.712 6.545 11.012 1.00 0.00 O ATOM 230 CB ASP A 18 -1.253 4.276 13.444 1.00 0.00 C ATOM 231 CG ASP A 18 -1.375 5.537 14.277 1.00 0.00 C ATOM 232 OD1 ASP A 18 -2.504 5.862 14.701 1.00 0.00 O ATOM 233 OD2 ASP A 18 -0.341 6.200 14.505 1.00 0.00 O ATOM 0 H ASP A 18 -1.644 2.334 11.974 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.963 4.743 12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.693 3.440 13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.199 4.041 13.297 1.00 0.00 H new ATOM 238 N GLN A 19 -0.018 5.085 10.760 1.00 0.00 N ATOM 239 CA GLN A 19 0.780 5.985 9.936 1.00 0.00 C ATOM 240 C GLN A 19 -0.097 6.727 8.933 1.00 0.00 C ATOM 241 O GLN A 19 0.017 7.942 8.773 1.00 0.00 O ATOM 242 CB GLN A 19 1.870 5.204 9.199 1.00 0.00 C ATOM 243 CG GLN A 19 2.975 4.694 10.110 1.00 0.00 C ATOM 244 CD GLN A 19 3.785 5.815 10.730 1.00 0.00 C ATOM 245 OE1 GLN A 19 3.290 6.559 11.577 1.00 0.00 O ATOM 246 NE2 GLN A 19 5.038 5.943 10.310 1.00 0.00 N ATOM 0 H GLN A 19 0.414 4.177 10.934 1.00 0.00 H new ATOM 0 HA GLN A 19 1.249 6.718 10.592 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.414 4.357 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.308 5.843 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.536 4.087 10.902 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.639 4.043 9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.408 5.304 9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.631 6.680 10.691 1.00 0.00 H new ATOM 255 N VAL A 20 -0.972 5.988 8.259 1.00 0.00 N ATOM 256 CA VAL A 20 -1.869 6.576 7.272 1.00 0.00 C ATOM 257 C VAL A 20 -2.682 7.714 7.877 1.00 0.00 C ATOM 258 O VAL A 20 -2.905 8.742 7.237 1.00 0.00 O ATOM 259 CB VAL A 20 -2.833 5.523 6.692 1.00 0.00 C ATOM 260 CG1 VAL A 20 -3.794 6.166 5.704 1.00 0.00 C ATOM 261 CG2 VAL A 20 -2.055 4.394 6.034 1.00 0.00 C ATOM 0 H VAL A 20 -1.079 4.981 8.379 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.244 6.967 6.469 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.418 5.102 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.467 5.407 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.375 6.936 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.229 6.616 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.752 3.659 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.443 4.796 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.412 3.916 6.773 1.00 0.00 H new ATOM 271 N LYS A 21 -3.124 7.525 9.116 1.00 0.00 N ATOM 272 CA LYS A 21 -3.912 8.536 9.811 1.00 0.00 C ATOM 273 C LYS A 21 -3.059 9.756 10.145 1.00 0.00 C ATOM 274 O LYS A 21 -3.480 10.894 9.940 1.00 0.00 O ATOM 275 CB LYS A 21 -4.511 7.953 11.093 1.00 0.00 C ATOM 276 CG LYS A 21 -5.465 8.898 11.803 1.00 0.00 C ATOM 277 CD LYS A 21 -5.595 8.555 13.277 1.00 0.00 C ATOM 278 CE LYS A 21 -4.557 9.287 14.114 1.00 0.00 C ATOM 279 NZ LYS A 21 -3.184 8.761 13.877 1.00 0.00 N ATOM 0 H LYS A 21 -2.950 6.680 9.660 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.720 8.849 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.039 7.031 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.702 7.687 11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.109 9.923 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.446 8.850 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.594 8.816 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.481 7.480 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.584 10.351 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.807 9.188 15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.542 9.122 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.200 7.722 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.850 9.071 12.942 1.00 0.00 H new ATOM 293 N ILE A 22 -1.858 9.509 10.658 1.00 0.00 N ATOM 294 CA ILE A 22 -0.946 10.588 11.017 1.00 0.00 C ATOM 295 C ILE A 22 -0.627 11.463 9.810 1.00 0.00 C ATOM 296 O ILE A 22 -0.773 12.685 9.860 1.00 0.00 O ATOM 297 CB ILE A 22 0.370 10.041 11.602 1.00 0.00 C ATOM 298 CG1 ILE A 22 0.088 9.193 12.844 1.00 0.00 C ATOM 299 CG2 ILE A 22 1.316 11.184 11.938 1.00 0.00 C ATOM 300 CD1 ILE A 22 1.293 8.422 13.337 1.00 0.00 C ATOM 0 H ILE A 22 -1.494 8.572 10.834 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.450 11.188 11.775 1.00 0.00 H new ATOM 0 HB ILE A 22 0.848 9.408 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.270 9.842 13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.715 8.491 12.620 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.241 10.781 12.350 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.538 11.750 11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.848 11.840 12.671 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.019 7.844 14.219 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.638 7.747 12.554 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.091 9.119 13.593 1.00 0.00 H new ATOM 312 N ARG A 23 -0.193 10.830 8.725 1.00 0.00 N ATOM 313 CA ARG A 23 0.146 11.551 7.504 1.00 0.00 C ATOM 314 C ARG A 23 -1.052 12.345 6.992 1.00 0.00 C ATOM 315 O ARG A 23 -0.924 13.513 6.623 1.00 0.00 O ATOM 316 CB ARG A 23 0.624 10.576 6.426 1.00 0.00 C ATOM 317 CG ARG A 23 2.122 10.320 6.457 1.00 0.00 C ATOM 318 CD ARG A 23 2.876 11.329 5.605 1.00 0.00 C ATOM 319 NE ARG A 23 4.293 10.993 5.486 1.00 0.00 N ATOM 320 CZ ARG A 23 5.204 11.821 4.986 1.00 0.00 C ATOM 321 NH1 ARG A 23 4.850 13.026 4.563 1.00 0.00 N ATOM 322 NH2 ARG A 23 6.474 11.443 4.911 1.00 0.00 N ATOM 0 H ARG A 23 -0.068 9.819 8.667 1.00 0.00 H new ATOM 0 HA ARG A 23 0.951 12.249 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.099 9.628 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.351 10.968 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.480 10.371 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.328 9.312 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.429 11.371 4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.774 12.322 6.043 1.00 0.00 H new ATOM 0 HE ARG A 23 4.599 10.073 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.875 13.321 4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.552 13.659 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.751 10.517 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.173 12.079 4.527 1.00 0.00 H new ATOM 336 N PHE A 24 -2.215 11.704 6.971 1.00 0.00 N ATOM 337 CA PHE A 24 -3.436 12.350 6.503 1.00 0.00 C ATOM 338 C PHE A 24 -4.256 12.879 7.676 1.00 0.00 C ATOM 339 O PHE A 24 -5.471 12.691 7.733 1.00 0.00 O ATOM 340 CB PHE A 24 -4.274 11.368 5.681 1.00 0.00 C ATOM 341 CG PHE A 24 -3.669 11.033 4.348 1.00 0.00 C ATOM 342 CD1 PHE A 24 -3.731 11.934 3.298 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.038 9.816 4.146 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.175 11.627 2.070 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.480 9.504 2.920 1.00 0.00 C ATOM 346 CZ PHE A 24 -2.548 10.411 1.881 1.00 0.00 C ATOM 0 H PHE A 24 -2.338 10.737 7.273 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.153 13.193 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.406 10.449 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.266 11.792 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.219 12.887 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.981 9.103 4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.231 12.338 1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.991 8.552 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.112 10.170 0.923 1.00 0.00 H new ATOM 356 N GLY A 25 -3.582 13.542 8.610 1.00 0.00 N ATOM 357 CA GLY A 25 -4.263 14.088 9.770 1.00 0.00 C ATOM 358 C GLY A 25 -5.169 15.250 9.416 1.00 0.00 C ATOM 359 O GLY A 25 -6.359 15.237 9.732 1.00 0.00 O ATOM 0 H GLY A 25 -2.576 13.711 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.852 13.303 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.524 14.417 10.500 1.00 0.00 H new ATOM 363 N SER A 26 -4.606 16.260 8.760 1.00 0.00 N ATOM 364 CA SER A 26 -5.370 17.438 8.368 1.00 0.00 C ATOM 365 C SER A 26 -6.313 17.115 7.214 1.00 0.00 C ATOM 366 O SER A 26 -7.198 17.903 6.881 1.00 0.00 O ATOM 367 CB SER A 26 -4.426 18.574 7.968 1.00 0.00 C ATOM 368 OG SER A 26 -5.076 19.830 8.051 1.00 0.00 O ATOM 0 H SER A 26 -3.623 16.286 8.489 1.00 0.00 H new ATOM 0 HA SER A 26 -5.967 17.755 9.223 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.551 18.570 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.068 18.413 6.951 1.00 0.00 H new ATOM 0 HG SER A 26 -6.000 19.742 7.737 1.00 0.00 H new ATOM 374 N ASP A 27 -6.118 15.949 6.608 1.00 0.00 N ATOM 375 CA ASP A 27 -6.951 15.519 5.491 1.00 0.00 C ATOM 376 C ASP A 27 -7.679 14.220 5.824 1.00 0.00 C ATOM 377 O ASP A 27 -7.255 13.128 5.446 1.00 0.00 O ATOM 378 CB ASP A 27 -6.100 15.333 4.234 1.00 0.00 C ATOM 379 CG ASP A 27 -6.897 15.531 2.960 1.00 0.00 C ATOM 380 OD1 ASP A 27 -7.699 14.637 2.617 1.00 0.00 O ATOM 381 OD2 ASP A 27 -6.719 16.579 2.305 1.00 0.00 O ATOM 0 H ASP A 27 -5.390 15.285 6.872 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.695 16.294 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.270 16.039 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.667 14.333 4.237 1.00 0.00 H new ATOM 386 N PRO A 28 -8.800 14.339 6.551 1.00 0.00 N ATOM 387 CA PRO A 28 -9.609 13.185 6.952 1.00 0.00 C ATOM 388 C PRO A 28 -10.327 12.542 5.770 1.00 0.00 C ATOM 389 O PRO A 28 -10.604 11.343 5.778 1.00 0.00 O ATOM 390 CB PRO A 28 -10.622 13.785 7.930 1.00 0.00 C ATOM 391 CG PRO A 28 -10.726 15.218 7.536 1.00 0.00 C ATOM 392 CD PRO A 28 -9.363 15.610 7.036 1.00 0.00 C ATOM 0 HA PRO A 28 -9.000 12.390 7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.587 13.283 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.286 13.681 8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.480 15.356 6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.023 15.835 8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.425 16.352 6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.753 16.043 7.829 1.00 0.00 H new ATOM 400 N ALA A 29 -10.625 13.346 4.755 1.00 0.00 N ATOM 401 CA ALA A 29 -11.308 12.854 3.565 1.00 0.00 C ATOM 402 C ALA A 29 -10.542 11.698 2.931 1.00 0.00 C ATOM 403 O ALA A 29 -11.138 10.732 2.454 1.00 0.00 O ATOM 404 CB ALA A 29 -11.495 13.981 2.560 1.00 0.00 C ATOM 0 H ALA A 29 -10.404 14.342 4.733 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.288 12.484 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.006 13.599 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.092 14.775 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.521 14.378 2.273 1.00 0.00 H new ATOM 410 N THR A 30 -9.217 11.803 2.929 1.00 0.00 N ATOM 411 CA THR A 30 -8.370 10.768 2.352 1.00 0.00 C ATOM 412 C THR A 30 -8.421 9.490 3.181 1.00 0.00 C ATOM 413 O THR A 30 -8.584 8.395 2.642 1.00 0.00 O ATOM 414 CB THR A 30 -6.906 11.236 2.241 1.00 0.00 C ATOM 415 OG1 THR A 30 -6.806 12.311 1.301 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.003 10.091 1.809 1.00 0.00 C ATOM 0 H THR A 30 -8.708 12.595 3.321 1.00 0.00 H new ATOM 0 HA THR A 30 -8.756 10.566 1.353 1.00 0.00 H new ATOM 0 HB THR A 30 -6.582 11.581 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.125 13.139 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.975 10.446 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.059 9.287 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.327 9.719 0.837 1.00 0.00 H new ATOM 424 N TYR A 31 -8.281 9.636 4.494 1.00 0.00 N ATOM 425 CA TYR A 31 -8.310 8.492 5.397 1.00 0.00 C ATOM 426 C TYR A 31 -9.624 7.727 5.266 1.00 0.00 C ATOM 427 O TYR A 31 -9.634 6.501 5.175 1.00 0.00 O ATOM 428 CB TYR A 31 -8.117 8.953 6.843 1.00 0.00 C ATOM 429 CG TYR A 31 -7.800 7.826 7.800 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.775 6.927 7.531 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.524 7.662 8.975 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.482 5.896 8.403 1.00 0.00 C ATOM 433 CE2 TYR A 31 -8.237 6.634 9.853 1.00 0.00 C ATOM 434 CZ TYR A 31 -7.216 5.754 9.562 1.00 0.00 C ATOM 435 OH TYR A 31 -6.926 4.729 10.433 1.00 0.00 O ATOM 0 H TYR A 31 -8.146 10.535 4.956 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.493 7.824 5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.311 9.686 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.022 9.459 7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.198 7.036 6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.324 8.349 9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.683 5.205 8.178 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.809 6.521 10.762 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.534 4.770 11.201 1.00 0.00 H new ATOM 445 N ASN A 32 -10.731 8.463 5.257 1.00 0.00 N ATOM 446 CA ASN A 32 -12.051 7.855 5.137 1.00 0.00 C ATOM 447 C ASN A 32 -12.088 6.858 3.983 1.00 0.00 C ATOM 448 O ASN A 32 -12.352 5.673 4.181 1.00 0.00 O ATOM 449 CB ASN A 32 -13.115 8.935 4.928 1.00 0.00 C ATOM 450 CG ASN A 32 -13.271 9.835 6.138 1.00 0.00 C ATOM 451 OD1 ASN A 32 -13.135 9.390 7.278 1.00 0.00 O ATOM 452 ND2 ASN A 32 -13.558 11.109 5.895 1.00 0.00 N ATOM 0 H ASN A 32 -10.740 9.480 5.331 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.263 7.320 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.850 9.540 4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.071 8.461 4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.675 11.762 6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.662 11.434 4.934 1.00 0.00 H new ATOM 459 N GLY A 33 -11.822 7.348 2.776 1.00 0.00 N ATOM 460 CA GLY A 33 -11.829 6.487 1.608 1.00 0.00 C ATOM 461 C GLY A 33 -11.073 5.193 1.837 1.00 0.00 C ATOM 462 O GLY A 33 -11.498 4.129 1.385 1.00 0.00 O ATOM 0 H GLY A 33 -11.602 8.326 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.859 6.259 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.386 7.019 0.766 1.00 0.00 H new ATOM 466 N PHE A 34 -9.949 5.283 2.539 1.00 0.00 N ATOM 467 CA PHE A 34 -9.130 4.110 2.824 1.00 0.00 C ATOM 468 C PHE A 34 -9.912 3.087 3.644 1.00 0.00 C ATOM 469 O PHE A 34 -9.883 1.890 3.355 1.00 0.00 O ATOM 470 CB PHE A 34 -7.860 4.518 3.574 1.00 0.00 C ATOM 471 CG PHE A 34 -6.983 3.357 3.944 1.00 0.00 C ATOM 472 CD1 PHE A 34 -7.297 2.551 5.026 1.00 0.00 C ATOM 473 CD2 PHE A 34 -5.843 3.072 3.210 1.00 0.00 C ATOM 474 CE1 PHE A 34 -6.492 1.481 5.368 1.00 0.00 C ATOM 475 CE2 PHE A 34 -5.034 2.004 3.547 1.00 0.00 C ATOM 476 CZ PHE A 34 -5.358 1.208 4.629 1.00 0.00 C ATOM 0 H PHE A 34 -9.584 6.155 2.921 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.852 3.653 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.290 5.211 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.140 5.055 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.181 2.761 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.584 3.692 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.750 0.859 6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.149 1.791 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.726 0.374 4.896 1.00 0.00 H new ATOM 486 N LEU A 35 -10.609 3.567 4.668 1.00 0.00 N ATOM 487 CA LEU A 35 -11.399 2.696 5.531 1.00 0.00 C ATOM 488 C LEU A 35 -12.362 1.845 4.710 1.00 0.00 C ATOM 489 O LEU A 35 -12.502 0.645 4.947 1.00 0.00 O ATOM 490 CB LEU A 35 -12.177 3.527 6.552 1.00 0.00 C ATOM 491 CG LEU A 35 -11.427 3.889 7.835 1.00 0.00 C ATOM 492 CD1 LEU A 35 -12.237 4.871 8.667 1.00 0.00 C ATOM 493 CD2 LEU A 35 -11.113 2.637 8.640 1.00 0.00 C ATOM 0 H LEU A 35 -10.643 4.555 4.921 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.716 2.031 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.498 4.450 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.079 2.979 6.825 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.486 4.366 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.688 5.117 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.411 5.780 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.194 4.421 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.579 2.913 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.042 2.132 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.492 1.968 8.044 1.00 0.00 H new ATOM 505 N GLU A 36 -13.023 2.474 3.743 1.00 0.00 N ATOM 506 CA GLU A 36 -13.972 1.773 2.886 1.00 0.00 C ATOM 507 C GLU A 36 -13.262 0.735 2.022 1.00 0.00 C ATOM 508 O GLU A 36 -13.712 -0.405 1.907 1.00 0.00 O ATOM 509 CB GLU A 36 -14.721 2.767 1.997 1.00 0.00 C ATOM 510 CG GLU A 36 -15.609 3.727 2.770 1.00 0.00 C ATOM 511 CD GLU A 36 -16.918 3.094 3.201 1.00 0.00 C ATOM 512 OE1 GLU A 36 -17.730 2.750 2.317 1.00 0.00 O ATOM 513 OE2 GLU A 36 -17.129 2.942 4.422 1.00 0.00 O ATOM 0 H GLU A 36 -12.919 3.467 3.534 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.688 1.258 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.997 3.341 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.333 2.214 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.074 4.081 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.818 4.600 2.152 1.00 0.00 H new ATOM 520 N ILE A 37 -12.150 1.139 1.417 1.00 0.00 N ATOM 521 CA ILE A 37 -11.377 0.245 0.563 1.00 0.00 C ATOM 522 C ILE A 37 -11.131 -1.094 1.251 1.00 0.00 C ATOM 523 O ILE A 37 -11.313 -2.153 0.651 1.00 0.00 O ATOM 524 CB ILE A 37 -10.023 0.868 0.176 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.238 2.148 -0.634 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.188 -0.130 -0.613 1.00 0.00 C ATOM 527 CD1 ILE A 37 -9.072 3.109 -0.566 1.00 0.00 C ATOM 0 H ILE A 37 -11.764 2.079 1.502 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.964 0.084 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.484 1.124 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.420 1.883 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.135 2.651 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.234 0.324 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.010 -1.017 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.721 -0.413 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.294 3.993 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.903 3.404 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.177 2.624 -0.956 1.00 0.00 H new ATOM 539 N MET A 38 -10.717 -1.038 2.512 1.00 0.00 N ATOM 540 CA MET A 38 -10.448 -2.246 3.282 1.00 0.00 C ATOM 541 C MET A 38 -11.687 -3.133 3.353 1.00 0.00 C ATOM 542 O MET A 38 -11.637 -4.316 3.016 1.00 0.00 O ATOM 543 CB MET A 38 -9.985 -1.885 4.695 1.00 0.00 C ATOM 544 CG MET A 38 -8.508 -1.536 4.779 1.00 0.00 C ATOM 545 SD MET A 38 -7.470 -2.979 5.083 1.00 0.00 S ATOM 546 CE MET A 38 -6.801 -3.265 3.446 1.00 0.00 C ATOM 0 H MET A 38 -10.560 -0.169 3.022 1.00 0.00 H new ATOM 0 HA MET A 38 -9.655 -2.798 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.571 -1.040 5.056 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.191 -2.723 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.198 -1.059 3.849 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.355 -0.809 5.576 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.938 -3.928 3.516 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.563 -3.726 2.817 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.494 -2.315 3.007 1.00 0.00 H new ATOM 556 N LYS A 39 -12.800 -2.554 3.792 1.00 0.00 N ATOM 557 CA LYS A 39 -14.053 -3.290 3.906 1.00 0.00 C ATOM 558 C LYS A 39 -14.234 -4.240 2.727 1.00 0.00 C ATOM 559 O LYS A 39 -14.499 -5.428 2.911 1.00 0.00 O ATOM 560 CB LYS A 39 -15.234 -2.319 3.979 1.00 0.00 C ATOM 561 CG LYS A 39 -15.444 -1.720 5.358 1.00 0.00 C ATOM 562 CD LYS A 39 -16.367 -0.514 5.307 1.00 0.00 C ATOM 563 CE LYS A 39 -16.892 -0.155 6.689 1.00 0.00 C ATOM 564 NZ LYS A 39 -17.807 1.019 6.647 1.00 0.00 N ATOM 0 H LYS A 39 -12.859 -1.576 4.075 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.018 -3.879 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.076 -1.513 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.142 -2.841 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.865 -2.474 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.482 -1.426 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.832 0.338 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.205 -0.723 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.419 -1.011 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.054 0.062 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.745 1.540 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.532 1.645 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.784 0.693 6.503 1.00 0.00 H new ATOM 578 N GLU A 40 -14.089 -3.710 1.516 1.00 0.00 N ATOM 579 CA GLU A 40 -14.237 -4.512 0.308 1.00 0.00 C ATOM 580 C GLU A 40 -13.489 -5.836 0.440 1.00 0.00 C ATOM 581 O GLU A 40 -14.050 -6.905 0.200 1.00 0.00 O ATOM 582 CB GLU A 40 -13.722 -3.742 -0.909 1.00 0.00 C ATOM 583 CG GLU A 40 -14.422 -2.411 -1.127 1.00 0.00 C ATOM 584 CD GLU A 40 -14.399 -1.971 -2.578 1.00 0.00 C ATOM 585 OE1 GLU A 40 -14.988 -2.678 -3.423 1.00 0.00 O ATOM 586 OE2 GLU A 40 -13.793 -0.918 -2.869 1.00 0.00 O ATOM 0 H GLU A 40 -13.869 -2.729 1.346 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.297 -4.725 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.653 -3.566 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.847 -4.359 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.456 -2.489 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.944 -1.648 -0.512 1.00 0.00 H new ATOM 593 N PHE A 41 -12.218 -5.755 0.821 1.00 0.00 N ATOM 594 CA PHE A 41 -11.392 -6.946 0.983 1.00 0.00 C ATOM 595 C PHE A 41 -11.904 -7.811 2.131 1.00 0.00 C ATOM 596 O PHE A 41 -11.960 -9.036 2.024 1.00 0.00 O ATOM 597 CB PHE A 41 -9.936 -6.551 1.238 1.00 0.00 C ATOM 598 CG PHE A 41 -9.006 -7.726 1.345 1.00 0.00 C ATOM 599 CD1 PHE A 41 -8.906 -8.441 2.527 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.232 -8.115 0.263 1.00 0.00 C ATOM 601 CE1 PHE A 41 -8.051 -9.522 2.629 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.376 -9.195 0.359 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.285 -9.900 1.543 1.00 0.00 C ATOM 0 H PHE A 41 -11.738 -4.878 1.023 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.449 -7.525 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.597 -5.902 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.881 -5.970 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.503 -8.150 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.299 -7.568 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.982 -10.071 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.778 -9.488 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.617 -10.745 1.620 1.00 0.00 H new ATOM 613 N LYS A 42 -12.276 -7.165 3.231 1.00 0.00 N ATOM 614 CA LYS A 42 -12.784 -7.873 4.400 1.00 0.00 C ATOM 615 C LYS A 42 -14.121 -8.541 4.093 1.00 0.00 C ATOM 616 O LYS A 42 -14.641 -9.311 4.901 1.00 0.00 O ATOM 617 CB LYS A 42 -12.942 -6.908 5.577 1.00 0.00 C ATOM 618 CG LYS A 42 -11.646 -6.639 6.322 1.00 0.00 C ATOM 619 CD LYS A 42 -11.729 -5.364 7.144 1.00 0.00 C ATOM 620 CE LYS A 42 -12.499 -5.584 8.437 1.00 0.00 C ATOM 621 NZ LYS A 42 -12.816 -4.298 9.119 1.00 0.00 N ATOM 0 H LYS A 42 -12.235 -6.151 3.337 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.064 -8.647 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.343 -5.963 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.674 -7.316 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.420 -7.481 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.825 -6.560 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.723 -5.012 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.214 -4.583 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.424 -6.119 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.914 -6.215 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.341 -4.490 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.933 -3.799 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.396 -3.706 8.491 1.00 0.00 H new ATOM 635 N SER A 43 -14.671 -8.242 2.921 1.00 0.00 N ATOM 636 CA SER A 43 -15.949 -8.812 2.509 1.00 0.00 C ATOM 637 C SER A 43 -15.757 -9.807 1.368 1.00 0.00 C ATOM 638 O SER A 43 -16.712 -10.175 0.685 1.00 0.00 O ATOM 639 CB SER A 43 -16.910 -7.703 2.077 1.00 0.00 C ATOM 640 OG SER A 43 -18.259 -8.101 2.253 1.00 0.00 O ATOM 0 H SER A 43 -14.252 -7.609 2.240 1.00 0.00 H new ATOM 0 HA SER A 43 -16.375 -9.341 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.715 -6.801 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.735 -7.453 1.031 1.00 0.00 H new ATOM 0 HG SER A 43 -18.394 -8.985 1.851 1.00 0.00 H new ATOM 646 N GLN A 44 -14.515 -10.237 1.169 1.00 0.00 N ATOM 647 CA GLN A 44 -14.197 -11.189 0.111 1.00 0.00 C ATOM 648 C GLN A 44 -14.638 -10.658 -1.249 1.00 0.00 C ATOM 649 O GLN A 44 -15.049 -11.423 -2.121 1.00 0.00 O ATOM 650 CB GLN A 44 -14.869 -12.535 0.388 1.00 0.00 C ATOM 651 CG GLN A 44 -14.508 -13.128 1.740 1.00 0.00 C ATOM 652 CD GLN A 44 -14.569 -14.643 1.748 1.00 0.00 C ATOM 653 OE1 GLN A 44 -13.730 -15.313 1.144 1.00 0.00 O ATOM 654 NE2 GLN A 44 -15.564 -15.192 2.434 1.00 0.00 N ATOM 0 H GLN A 44 -13.713 -9.942 1.726 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.116 -11.327 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -15.950 -12.410 0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.589 -13.240 -0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.504 -12.807 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.188 -12.737 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -16.237 -14.599 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.656 -16.207 2.476 1.00 0.00 H new ATOM 663 N SER A 45 -14.548 -9.343 -1.422 1.00 0.00 N ATOM 664 CA SER A 45 -14.942 -8.709 -2.675 1.00 0.00 C ATOM 665 C SER A 45 -13.736 -8.520 -3.590 1.00 0.00 C ATOM 666 O SER A 45 -13.818 -8.744 -4.798 1.00 0.00 O ATOM 667 CB SER A 45 -15.606 -7.358 -2.401 1.00 0.00 C ATOM 668 OG SER A 45 -16.628 -7.481 -1.428 1.00 0.00 O ATOM 0 H SER A 45 -14.206 -8.696 -0.711 1.00 0.00 H new ATOM 0 HA SER A 45 -15.657 -9.362 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.857 -6.644 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.025 -6.961 -3.325 1.00 0.00 H new ATOM 0 HG SER A 45 -17.036 -6.604 -1.269 1.00 0.00 H new ATOM 674 N ILE A 46 -12.617 -8.106 -3.006 1.00 0.00 N ATOM 675 CA ILE A 46 -11.393 -7.887 -3.767 1.00 0.00 C ATOM 676 C ILE A 46 -10.261 -8.769 -3.253 1.00 0.00 C ATOM 677 O ILE A 46 -10.375 -9.392 -2.197 1.00 0.00 O ATOM 678 CB ILE A 46 -10.949 -6.414 -3.707 1.00 0.00 C ATOM 679 CG1 ILE A 46 -10.745 -5.978 -2.255 1.00 0.00 C ATOM 680 CG2 ILE A 46 -11.974 -5.523 -4.394 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.097 -4.618 -2.117 1.00 0.00 C ATOM 0 H ILE A 46 -12.532 -7.915 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.613 -8.150 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.999 -6.315 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.711 -5.964 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.129 -6.718 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.646 -4.485 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.074 -5.821 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.937 -5.624 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.984 -4.374 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.117 -4.632 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.723 -3.866 -2.598 1.00 0.00 H new ATOM 693 N ASP A 47 -9.167 -8.816 -4.006 1.00 0.00 N ATOM 694 CA ASP A 47 -8.011 -9.620 -3.625 1.00 0.00 C ATOM 695 C ASP A 47 -6.801 -8.734 -3.348 1.00 0.00 C ATOM 696 O ASP A 47 -6.878 -7.509 -3.450 1.00 0.00 O ATOM 697 CB ASP A 47 -7.679 -10.628 -4.726 1.00 0.00 C ATOM 698 CG ASP A 47 -8.852 -11.531 -5.058 1.00 0.00 C ATOM 699 OD1 ASP A 47 -9.361 -12.203 -4.137 1.00 0.00 O ATOM 700 OD2 ASP A 47 -9.259 -11.566 -6.238 1.00 0.00 O ATOM 0 H ASP A 47 -9.056 -8.307 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.260 -10.160 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.371 -10.092 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.832 -11.238 -4.413 1.00 0.00 H new ATOM 705 N THR A 48 -5.683 -9.361 -2.996 1.00 0.00 N ATOM 706 CA THR A 48 -4.457 -8.630 -2.701 1.00 0.00 C ATOM 707 C THR A 48 -4.198 -7.548 -3.743 1.00 0.00 C ATOM 708 O THR A 48 -4.092 -6.363 -3.429 1.00 0.00 O ATOM 709 CB THR A 48 -3.240 -9.574 -2.644 1.00 0.00 C ATOM 710 OG1 THR A 48 -3.050 -10.048 -1.307 1.00 0.00 O ATOM 711 CG2 THR A 48 -1.982 -8.863 -3.119 1.00 0.00 C ATOM 0 H THR A 48 -5.601 -10.374 -2.908 1.00 0.00 H new ATOM 0 HA THR A 48 -4.593 -8.165 -1.725 1.00 0.00 H new ATOM 0 HB THR A 48 -3.432 -10.420 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.276 -10.648 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.136 -9.549 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.119 -8.529 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.788 -8.001 -2.480 1.00 0.00 H new ATOM 719 N PRO A 49 -4.094 -7.963 -5.015 1.00 0.00 N ATOM 720 CA PRO A 49 -3.847 -7.043 -6.130 1.00 0.00 C ATOM 721 C PRO A 49 -5.046 -6.147 -6.417 1.00 0.00 C ATOM 722 O PRO A 49 -4.978 -5.254 -7.261 1.00 0.00 O ATOM 723 CB PRO A 49 -3.585 -7.981 -7.311 1.00 0.00 C ATOM 724 CG PRO A 49 -4.294 -9.242 -6.958 1.00 0.00 C ATOM 725 CD PRO A 49 -4.209 -9.361 -5.462 1.00 0.00 C ATOM 0 HA PRO A 49 -3.025 -6.359 -5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.965 -7.561 -8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.518 -8.153 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.332 -9.211 -7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.830 -10.100 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.093 -9.844 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.347 -9.954 -5.154 1.00 0.00 H new ATOM 733 N GLY A 50 -6.146 -6.391 -5.710 1.00 0.00 N ATOM 734 CA GLY A 50 -7.344 -5.596 -5.904 1.00 0.00 C ATOM 735 C GLY A 50 -7.406 -4.402 -4.972 1.00 0.00 C ATOM 736 O GLY A 50 -7.894 -3.336 -5.348 1.00 0.00 O ATOM 0 H GLY A 50 -6.228 -7.125 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.383 -5.249 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.222 -6.223 -5.745 1.00 0.00 H new ATOM 740 N VAL A 51 -6.912 -4.581 -3.751 1.00 0.00 N ATOM 741 CA VAL A 51 -6.913 -3.509 -2.762 1.00 0.00 C ATOM 742 C VAL A 51 -5.856 -2.460 -3.086 1.00 0.00 C ATOM 743 O VAL A 51 -5.996 -1.291 -2.725 1.00 0.00 O ATOM 744 CB VAL A 51 -6.661 -4.055 -1.344 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.356 -4.834 -1.295 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.652 -2.920 -0.331 1.00 0.00 C ATOM 0 H VAL A 51 -6.506 -5.457 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.900 -3.048 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.472 -4.736 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.195 -5.212 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.405 -5.671 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.530 -4.179 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.473 -3.323 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.862 -2.213 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.615 -2.409 -0.348 1.00 0.00 H new ATOM 756 N ILE A 52 -4.799 -2.885 -3.770 1.00 0.00 N ATOM 757 CA ILE A 52 -3.718 -1.982 -4.145 1.00 0.00 C ATOM 758 C ILE A 52 -4.188 -0.961 -5.175 1.00 0.00 C ATOM 759 O ILE A 52 -3.799 0.207 -5.130 1.00 0.00 O ATOM 760 CB ILE A 52 -2.512 -2.752 -4.714 1.00 0.00 C ATOM 761 CG1 ILE A 52 -1.973 -3.738 -3.676 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.423 -1.783 -5.149 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.056 -4.790 -4.261 1.00 0.00 C ATOM 0 H ILE A 52 -4.668 -3.849 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.411 -1.463 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.839 -3.316 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.434 -3.185 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.812 -4.231 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.577 -2.342 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.814 -1.117 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.096 -1.194 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.712 -5.454 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.597 -5.369 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.198 -4.306 -4.727 1.00 0.00 H new ATOM 775 N ARG A 53 -5.028 -1.408 -6.103 1.00 0.00 N ATOM 776 CA ARG A 53 -5.552 -0.533 -7.145 1.00 0.00 C ATOM 777 C ARG A 53 -6.253 0.678 -6.537 1.00 0.00 C ATOM 778 O ARG A 53 -6.072 1.807 -6.994 1.00 0.00 O ATOM 779 CB ARG A 53 -6.523 -1.300 -8.044 1.00 0.00 C ATOM 780 CG ARG A 53 -7.285 -0.413 -9.014 1.00 0.00 C ATOM 781 CD ARG A 53 -8.070 -1.236 -10.024 1.00 0.00 C ATOM 782 NE ARG A 53 -9.343 -1.702 -9.478 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.251 -2.359 -10.191 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.028 -2.626 -11.470 1.00 0.00 N ATOM 785 NH2 ARG A 53 -11.385 -2.751 -9.624 1.00 0.00 N ATOM 0 H ARG A 53 -5.360 -2.371 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.713 -0.181 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.968 -2.048 -8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.236 -1.837 -7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.967 0.232 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.586 0.238 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.255 -0.636 -10.915 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.473 -2.093 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.545 -1.513 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.157 -2.327 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.727 -3.131 -12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.560 -2.548 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.082 -3.255 -10.172 1.00 0.00 H new ATOM 799 N ARG A 54 -7.054 0.435 -5.505 1.00 0.00 N ATOM 800 CA ARG A 54 -7.783 1.505 -4.835 1.00 0.00 C ATOM 801 C ARG A 54 -6.834 2.393 -4.037 1.00 0.00 C ATOM 802 O ARG A 54 -6.901 3.620 -4.116 1.00 0.00 O ATOM 803 CB ARG A 54 -8.852 0.920 -3.909 1.00 0.00 C ATOM 804 CG ARG A 54 -10.182 0.665 -4.599 1.00 0.00 C ATOM 805 CD ARG A 54 -11.048 1.915 -4.619 1.00 0.00 C ATOM 806 NE ARG A 54 -12.430 1.617 -4.985 1.00 0.00 N ATOM 807 CZ ARG A 54 -13.409 2.514 -4.950 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.159 3.759 -4.567 1.00 0.00 N ATOM 809 NH2 ARG A 54 -14.641 2.167 -5.298 1.00 0.00 N ATOM 0 H ARG A 54 -7.215 -0.494 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.267 2.114 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.484 -0.017 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.010 1.603 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.005 0.328 -5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.711 -0.138 -4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.027 2.387 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.632 2.633 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.656 0.668 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.213 4.030 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.913 4.446 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.837 1.210 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.392 2.857 -5.271 1.00 0.00 H new ATOM 823 N VAL A 55 -5.950 1.765 -3.267 1.00 0.00 N ATOM 824 CA VAL A 55 -4.986 2.498 -2.455 1.00 0.00 C ATOM 825 C VAL A 55 -4.177 3.470 -3.306 1.00 0.00 C ATOM 826 O VAL A 55 -4.107 4.662 -3.009 1.00 0.00 O ATOM 827 CB VAL A 55 -4.022 1.542 -1.729 1.00 0.00 C ATOM 828 CG1 VAL A 55 -3.012 2.326 -0.905 1.00 0.00 C ATOM 829 CG2 VAL A 55 -4.796 0.569 -0.853 1.00 0.00 C ATOM 0 H VAL A 55 -5.882 0.750 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.557 3.058 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.477 0.967 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.339 1.634 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.435 2.978 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.537 2.929 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.099 -0.099 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.369 1.125 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.475 -0.017 -1.472 1.00 0.00 H new ATOM 839 N SER A 56 -3.566 2.952 -4.367 1.00 0.00 N ATOM 840 CA SER A 56 -2.757 3.773 -5.260 1.00 0.00 C ATOM 841 C SER A 56 -3.445 5.104 -5.546 1.00 0.00 C ATOM 842 O SER A 56 -2.891 6.170 -5.281 1.00 0.00 O ATOM 843 CB SER A 56 -2.494 3.030 -6.572 1.00 0.00 C ATOM 844 OG SER A 56 -1.524 3.704 -7.354 1.00 0.00 O ATOM 0 H SER A 56 -3.616 1.967 -4.629 1.00 0.00 H new ATOM 0 HA SER A 56 -1.806 3.974 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.153 2.017 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.423 2.941 -7.136 1.00 0.00 H new ATOM 0 HG SER A 56 -1.373 3.209 -8.186 1.00 0.00 H new ATOM 850 N GLN A 57 -4.656 5.032 -6.089 1.00 0.00 N ATOM 851 CA GLN A 57 -5.420 6.232 -6.412 1.00 0.00 C ATOM 852 C GLN A 57 -5.586 7.119 -5.182 1.00 0.00 C ATOM 853 O GLN A 57 -5.451 8.341 -5.263 1.00 0.00 O ATOM 854 CB GLN A 57 -6.793 5.853 -6.971 1.00 0.00 C ATOM 855 CG GLN A 57 -6.781 5.553 -8.461 1.00 0.00 C ATOM 856 CD GLN A 57 -6.354 6.747 -9.293 1.00 0.00 C ATOM 857 OE1 GLN A 57 -7.098 7.718 -9.434 1.00 0.00 O ATOM 858 NE2 GLN A 57 -5.150 6.680 -9.848 1.00 0.00 N ATOM 0 H GLN A 57 -5.129 4.157 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.869 6.790 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.165 4.980 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.492 6.667 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.106 4.720 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.776 5.235 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.567 5.855 -9.704 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.808 7.453 -10.418 1.00 0.00 H new ATOM 867 N LEU A 58 -5.880 6.497 -4.046 1.00 0.00 N ATOM 868 CA LEU A 58 -6.065 7.231 -2.798 1.00 0.00 C ATOM 869 C LEU A 58 -4.807 8.013 -2.435 1.00 0.00 C ATOM 870 O LEU A 58 -4.831 9.240 -2.342 1.00 0.00 O ATOM 871 CB LEU A 58 -6.426 6.267 -1.666 1.00 0.00 C ATOM 872 CG LEU A 58 -6.644 6.899 -0.291 1.00 0.00 C ATOM 873 CD1 LEU A 58 -8.046 7.479 -0.187 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.405 5.877 0.810 1.00 0.00 C ATOM 0 H LEU A 58 -5.995 5.487 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.882 7.939 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.334 5.733 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.633 5.525 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.927 7.710 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.183 7.925 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.181 8.243 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.780 6.686 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.565 6.345 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.098 5.044 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.381 5.509 0.749 1.00 0.00 H new ATOM 886 N PHE A 59 -3.708 7.294 -2.232 1.00 0.00 N ATOM 887 CA PHE A 59 -2.439 7.920 -1.880 1.00 0.00 C ATOM 888 C PHE A 59 -1.671 8.334 -3.131 1.00 0.00 C ATOM 889 O PHE A 59 -0.444 8.241 -3.180 1.00 0.00 O ATOM 890 CB PHE A 59 -1.590 6.964 -1.039 1.00 0.00 C ATOM 891 CG PHE A 59 -2.284 6.480 0.202 1.00 0.00 C ATOM 892 CD1 PHE A 59 -2.987 7.361 1.007 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.233 5.143 0.563 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.625 6.917 2.150 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.870 4.693 1.704 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.568 5.582 2.498 1.00 0.00 C ATOM 0 H PHE A 59 -3.671 6.277 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.654 8.814 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.313 6.104 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.665 7.466 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.037 8.406 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.689 4.444 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.168 7.614 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.822 3.648 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.068 5.234 3.389 1.00 0.00 H new ATOM 906 N HIS A 60 -2.402 8.791 -4.143 1.00 0.00 N ATOM 907 CA HIS A 60 -1.790 9.220 -5.396 1.00 0.00 C ATOM 908 C HIS A 60 -0.751 10.309 -5.149 1.00 0.00 C ATOM 909 O HIS A 60 0.292 10.343 -5.801 1.00 0.00 O ATOM 910 CB HIS A 60 -2.860 9.729 -6.362 1.00 0.00 C ATOM 911 CG HIS A 60 -3.457 11.042 -5.957 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.894 11.482 -4.754 1.00 0.00 N flip ATOM 913 CD2 HIS A 60 -3.664 12.080 -6.841 1.00 0.00 C flip ATOM 914 CE1 HIS A 60 -4.351 12.765 -4.930 1.00 0.00 C flip ATOM 915 NE2 HIS A 60 -4.200 13.102 -6.199 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.418 8.874 -4.120 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.289 8.360 -5.840 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.423 9.829 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.654 8.986 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.425 12.060 -7.894 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.766 13.396 -4.158 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.454 13.999 -6.612 1.00 0.00 H new ATOM 924 N GLU A 61 -1.044 11.196 -4.203 1.00 0.00 N ATOM 925 CA GLU A 61 -0.135 12.287 -3.872 1.00 0.00 C ATOM 926 C GLU A 61 0.967 11.810 -2.930 1.00 0.00 C ATOM 927 O GLU A 61 1.833 12.586 -2.526 1.00 0.00 O ATOM 928 CB GLU A 61 -0.903 13.444 -3.231 1.00 0.00 C ATOM 929 CG GLU A 61 -1.622 14.328 -4.235 1.00 0.00 C ATOM 930 CD GLU A 61 -0.673 15.223 -5.009 1.00 0.00 C ATOM 931 OE1 GLU A 61 0.490 14.818 -5.215 1.00 0.00 O ATOM 932 OE2 GLU A 61 -1.095 16.328 -5.410 1.00 0.00 O ATOM 0 H GLU A 61 -1.903 11.180 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 61 0.326 12.635 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.632 13.040 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.208 14.055 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.176 13.701 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.353 14.945 -3.712 1.00 0.00 H new ATOM 939 N HIS A 62 0.928 10.527 -2.584 1.00 0.00 N ATOM 940 CA HIS A 62 1.922 9.945 -1.690 1.00 0.00 C ATOM 941 C HIS A 62 2.440 8.620 -2.242 1.00 0.00 C ATOM 942 O HIS A 62 1.984 7.541 -1.862 1.00 0.00 O ATOM 943 CB HIS A 62 1.326 9.733 -0.298 1.00 0.00 C ATOM 944 CG HIS A 62 0.807 10.990 0.328 1.00 0.00 C ATOM 945 ND1 HIS A 62 -0.135 11.866 -0.094 1.00 0.00 N flip ATOM 946 CD2 HIS A 62 1.263 11.473 1.537 1.00 0.00 C flip ATOM 947 CE1 HIS A 62 -0.230 12.852 0.858 1.00 0.00 C flip ATOM 948 NE2 HIS A 62 0.623 12.591 1.831 1.00 0.00 N flip ATOM 0 H HIS A 62 0.218 9.871 -2.910 1.00 0.00 H new ATOM 0 HA HIS A 62 2.759 10.640 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.514 9.008 -0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.086 9.300 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.024 11.010 2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.895 13.702 0.817 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.764 13.157 2.668 1.00 0.00 H new ATOM 957 N PRO A 63 3.414 8.701 -3.160 1.00 0.00 N ATOM 958 CA PRO A 63 4.014 7.517 -3.784 1.00 0.00 C ATOM 959 C PRO A 63 4.868 6.717 -2.806 1.00 0.00 C ATOM 960 O PRO A 63 5.061 5.513 -2.978 1.00 0.00 O ATOM 961 CB PRO A 63 4.886 8.106 -4.896 1.00 0.00 C ATOM 962 CG PRO A 63 5.206 9.486 -4.436 1.00 0.00 C ATOM 963 CD PRO A 63 4.006 9.953 -3.660 1.00 0.00 C ATOM 0 HA PRO A 63 3.258 6.817 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.792 7.518 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.357 8.119 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.100 9.492 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.403 10.144 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.289 10.618 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.308 10.503 -4.292 1.00 0.00 H new ATOM 971 N ASP A 64 5.375 7.392 -1.780 1.00 0.00 N ATOM 972 CA ASP A 64 6.206 6.742 -0.774 1.00 0.00 C ATOM 973 C ASP A 64 5.383 5.774 0.069 1.00 0.00 C ATOM 974 O ASP A 64 5.884 4.741 0.515 1.00 0.00 O ATOM 975 CB ASP A 64 6.865 7.788 0.127 1.00 0.00 C ATOM 976 CG ASP A 64 7.781 8.721 -0.643 1.00 0.00 C ATOM 977 OD1 ASP A 64 8.377 8.273 -1.645 1.00 0.00 O ATOM 978 OD2 ASP A 64 7.900 9.897 -0.243 1.00 0.00 O ATOM 0 H ASP A 64 5.225 8.389 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 64 6.982 6.177 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.092 8.372 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.436 7.284 0.906 1.00 0.00 H new ATOM 983 N LEU A 65 4.117 6.115 0.285 1.00 0.00 N ATOM 984 CA LEU A 65 3.223 5.276 1.076 1.00 0.00 C ATOM 985 C LEU A 65 2.708 4.101 0.252 1.00 0.00 C ATOM 986 O LEU A 65 2.673 2.965 0.726 1.00 0.00 O ATOM 987 CB LEU A 65 2.046 6.102 1.599 1.00 0.00 C ATOM 988 CG LEU A 65 2.296 6.884 2.889 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.417 8.124 2.940 1.00 0.00 C ATOM 990 CD2 LEU A 65 2.047 6.002 4.104 1.00 0.00 C ATOM 0 H LEU A 65 3.687 6.966 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 65 3.787 4.883 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.749 6.807 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.202 5.432 1.762 1.00 0.00 H new ATOM 0 HG LEU A 65 3.339 7.201 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.609 8.668 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.643 8.766 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.368 7.828 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.230 6.575 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.014 5.654 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.719 5.144 4.075 1.00 0.00 H new ATOM 1002 N ILE A 66 2.311 4.381 -0.985 1.00 0.00 N ATOM 1003 CA ILE A 66 1.801 3.347 -1.876 1.00 0.00 C ATOM 1004 C ILE A 66 2.797 2.200 -2.014 1.00 0.00 C ATOM 1005 O ILE A 66 2.418 1.029 -1.999 1.00 0.00 O ATOM 1006 CB ILE A 66 1.488 3.912 -3.274 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.444 5.025 -3.176 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.004 2.804 -4.197 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.353 5.880 -4.421 1.00 0.00 C ATOM 0 H ILE A 66 2.333 5.316 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 66 0.879 2.973 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 66 2.402 4.333 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.531 4.581 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.683 5.662 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.787 3.219 -5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.778 2.042 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.100 2.356 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.407 6.648 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.317 6.353 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.084 5.255 -5.273 1.00 0.00 H new ATOM 1021 N VAL A 67 4.074 2.546 -2.148 1.00 0.00 N ATOM 1022 CA VAL A 67 5.126 1.546 -2.286 1.00 0.00 C ATOM 1023 C VAL A 67 5.461 0.912 -0.940 1.00 0.00 C ATOM 1024 O VAL A 67 5.618 -0.304 -0.837 1.00 0.00 O ATOM 1025 CB VAL A 67 6.406 2.157 -2.886 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.516 1.119 -2.945 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.125 2.730 -4.267 1.00 0.00 C ATOM 0 H VAL A 67 4.404 3.511 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 67 4.747 0.779 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 67 6.737 2.971 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.412 1.569 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.733 0.761 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.199 0.282 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.040 3.158 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.769 1.937 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.364 3.507 -4.191 1.00 0.00 H new ATOM 1037 N GLY A 68 5.569 1.745 0.090 1.00 0.00 N ATOM 1038 CA GLY A 68 5.885 1.247 1.416 1.00 0.00 C ATOM 1039 C GLY A 68 4.978 0.109 1.840 1.00 0.00 C ATOM 1040 O GLY A 68 5.446 -0.918 2.332 1.00 0.00 O ATOM 0 H GLY A 68 5.443 2.755 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.921 0.908 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.802 2.061 2.136 1.00 0.00 H new ATOM 1044 N PHE A 69 3.675 0.291 1.649 1.00 0.00 N ATOM 1045 CA PHE A 69 2.700 -0.729 2.018 1.00 0.00 C ATOM 1046 C PHE A 69 3.057 -2.074 1.393 1.00 0.00 C ATOM 1047 O PHE A 69 3.257 -3.063 2.097 1.00 0.00 O ATOM 1048 CB PHE A 69 1.297 -0.305 1.576 1.00 0.00 C ATOM 1049 CG PHE A 69 0.276 -1.401 1.693 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.044 -1.939 2.929 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.364 -1.892 0.566 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -0.984 -2.946 3.040 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -1.304 -2.899 0.671 1.00 0.00 C ATOM 1054 CZ PHE A 69 -1.614 -3.428 1.909 1.00 0.00 C ATOM 0 H PHE A 69 3.271 1.134 1.241 1.00 0.00 H new ATOM 0 HA PHE A 69 2.716 -0.837 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.976 0.545 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.338 0.034 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.447 -1.567 3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.125 -1.483 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.226 -3.356 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.796 -3.273 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.347 -4.217 1.992 1.00 0.00 H new ATOM 1064 N ASN A 70 3.135 -2.103 0.067 1.00 0.00 N ATOM 1065 CA ASN A 70 3.467 -3.326 -0.653 1.00 0.00 C ATOM 1066 C ASN A 70 4.480 -4.159 0.127 1.00 0.00 C ATOM 1067 O ASN A 70 4.181 -5.271 0.562 1.00 0.00 O ATOM 1068 CB ASN A 70 4.024 -2.993 -2.039 1.00 0.00 C ATOM 1069 CG ASN A 70 2.929 -2.786 -3.068 1.00 0.00 C ATOM 1070 OD1 ASN A 70 2.770 -3.585 -3.990 1.00 0.00 O ATOM 1071 ND2 ASN A 70 2.168 -1.709 -2.913 1.00 0.00 N ATOM 0 H ASN A 70 2.973 -1.293 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 70 2.553 -3.909 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.634 -2.092 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.680 -3.799 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.415 -1.517 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.336 -1.074 -2.133 1.00 0.00 H new ATOM 1078 N ALA A 71 5.679 -3.613 0.301 1.00 0.00 N ATOM 1079 CA ALA A 71 6.735 -4.303 1.031 1.00 0.00 C ATOM 1080 C ALA A 71 6.324 -4.561 2.476 1.00 0.00 C ATOM 1081 O ALA A 71 6.439 -5.681 2.975 1.00 0.00 O ATOM 1082 CB ALA A 71 8.024 -3.497 0.981 1.00 0.00 C ATOM 0 H ALA A 71 5.943 -2.694 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 71 6.905 -5.267 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.804 -4.024 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.333 -3.370 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.859 -2.519 1.433 1.00 0.00 H new ATOM 1088 N PHE A 72 5.847 -3.517 3.146 1.00 0.00 N ATOM 1089 CA PHE A 72 5.421 -3.630 4.536 1.00 0.00 C ATOM 1090 C PHE A 72 4.628 -4.915 4.759 1.00 0.00 C ATOM 1091 O PHE A 72 4.925 -5.692 5.667 1.00 0.00 O ATOM 1092 CB PHE A 72 4.574 -2.419 4.933 1.00 0.00 C ATOM 1093 CG PHE A 72 4.610 -2.118 6.404 1.00 0.00 C ATOM 1094 CD1 PHE A 72 5.704 -1.482 6.968 1.00 0.00 C ATOM 1095 CD2 PHE A 72 3.550 -2.472 7.223 1.00 0.00 C ATOM 1096 CE1 PHE A 72 5.740 -1.204 8.321 1.00 0.00 C ATOM 1097 CE2 PHE A 72 3.581 -2.197 8.577 1.00 0.00 C ATOM 1098 CZ PHE A 72 4.677 -1.561 9.127 1.00 0.00 C ATOM 0 H PHE A 72 5.746 -2.583 2.749 1.00 0.00 H new ATOM 0 HA PHE A 72 6.313 -3.661 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.924 -1.545 4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.541 -2.593 4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.538 -1.200 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.690 -2.968 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.599 -0.708 8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.749 -2.479 9.205 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.702 -1.344 10.185 1.00 0.00 H new ATOM 1108 N LEU A 73 3.616 -5.130 3.925 1.00 0.00 N ATOM 1109 CA LEU A 73 2.778 -6.320 4.030 1.00 0.00 C ATOM 1110 C LEU A 73 3.594 -7.522 4.495 1.00 0.00 C ATOM 1111 O LEU A 73 4.704 -7.770 4.023 1.00 0.00 O ATOM 1112 CB LEU A 73 2.121 -6.626 2.683 1.00 0.00 C ATOM 1113 CG LEU A 73 0.800 -5.910 2.403 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.395 -6.086 0.948 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.293 -6.425 3.329 1.00 0.00 C ATOM 0 H LEU A 73 3.356 -4.496 3.169 1.00 0.00 H new ATOM 0 HA LEU A 73 2.002 -6.123 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.825 -6.370 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.949 -7.701 2.621 1.00 0.00 H new ATOM 0 HG LEU A 73 0.939 -4.846 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.548 -5.569 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.167 -5.668 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.275 -7.147 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.226 -5.904 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.430 -7.495 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.006 -6.246 4.365 1.00 0.00 H new ATOM 1127 N PRO A 74 3.033 -8.288 5.442 1.00 0.00 N ATOM 1128 CA PRO A 74 3.690 -9.478 5.990 1.00 0.00 C ATOM 1129 C PRO A 74 3.767 -10.616 4.977 1.00 0.00 C ATOM 1130 O PRO A 74 4.833 -11.191 4.755 1.00 0.00 O ATOM 1131 CB PRO A 74 2.792 -9.870 7.166 1.00 0.00 C ATOM 1132 CG PRO A 74 1.453 -9.317 6.820 1.00 0.00 C ATOM 1133 CD PRO A 74 1.713 -8.052 6.051 1.00 0.00 C ATOM 0 HA PRO A 74 4.723 -9.278 6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.753 -10.952 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.162 -9.454 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.881 -10.026 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.870 -9.114 7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.947 -7.877 5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.722 -7.179 6.704 1.00 0.00 H new ATOM 1141 N SER A 75 2.632 -10.935 4.364 1.00 0.00 N ATOM 1142 CA SER A 75 2.570 -12.006 3.377 1.00 0.00 C ATOM 1143 C SER A 75 3.590 -11.779 2.265 1.00 0.00 C ATOM 1144 O SER A 75 4.023 -10.653 2.025 1.00 0.00 O ATOM 1145 CB SER A 75 1.164 -12.101 2.783 1.00 0.00 C ATOM 1146 OG SER A 75 0.282 -12.775 3.664 1.00 0.00 O ATOM 0 H SER A 75 1.742 -10.466 4.534 1.00 0.00 H new ATOM 0 HA SER A 75 2.808 -12.944 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.784 -11.100 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.204 -12.628 1.830 1.00 0.00 H new ATOM 0 HG SER A 75 -0.610 -12.821 3.262 1.00 0.00 H new ATOM 1152 N GLY A 76 3.969 -12.859 1.589 1.00 0.00 N ATOM 1153 CA GLY A 76 4.935 -12.757 0.510 1.00 0.00 C ATOM 1154 C GLY A 76 5.541 -14.098 0.147 1.00 0.00 C ATOM 1155 O GLY A 76 5.031 -15.156 0.518 1.00 0.00 O ATOM 0 H GLY A 76 3.625 -13.802 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.450 -12.331 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.729 -12.069 0.801 1.00 0.00 H new ATOM 1159 N PRO A 77 6.656 -14.066 -0.599 1.00 0.00 N ATOM 1160 CA PRO A 77 7.356 -15.280 -1.030 1.00 0.00 C ATOM 1161 C PRO A 77 8.035 -16.000 0.130 1.00 0.00 C ATOM 1162 O PRO A 77 8.579 -17.091 -0.038 1.00 0.00 O ATOM 1163 CB PRO A 77 8.400 -14.755 -2.018 1.00 0.00 C ATOM 1164 CG PRO A 77 8.634 -13.342 -1.607 1.00 0.00 C ATOM 1165 CD PRO A 77 7.319 -12.841 -1.077 1.00 0.00 C ATOM 0 HA PRO A 77 6.674 -16.014 -1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.319 -15.339 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.038 -14.814 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.411 -13.281 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.969 -12.740 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.459 -12.119 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.736 -12.345 -1.853 1.00 0.00 H new ATOM 1173 N SER A 78 7.998 -15.383 1.307 1.00 0.00 N ATOM 1174 CA SER A 78 8.613 -15.965 2.494 1.00 0.00 C ATOM 1175 C SER A 78 7.928 -17.274 2.875 1.00 0.00 C ATOM 1176 O SER A 78 6.780 -17.517 2.504 1.00 0.00 O ATOM 1177 CB SER A 78 8.545 -14.981 3.664 1.00 0.00 C ATOM 1178 OG SER A 78 9.331 -13.831 3.409 1.00 0.00 O ATOM 0 H SER A 78 7.549 -14.481 1.464 1.00 0.00 H new ATOM 0 HA SER A 78 9.658 -16.175 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.510 -14.687 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.893 -15.469 4.574 1.00 0.00 H new ATOM 0 HG SER A 78 9.269 -13.217 4.171 1.00 0.00 H new ATOM 1184 N SER A 79 8.642 -18.114 3.618 1.00 0.00 N ATOM 1185 CA SER A 79 8.106 -19.400 4.047 1.00 0.00 C ATOM 1186 C SER A 79 6.659 -19.259 4.509 1.00 0.00 C ATOM 1187 O SER A 79 6.297 -18.282 5.164 1.00 0.00 O ATOM 1188 CB SER A 79 8.959 -19.982 5.175 1.00 0.00 C ATOM 1189 OG SER A 79 8.897 -21.398 5.183 1.00 0.00 O ATOM 0 H SER A 79 9.593 -17.927 3.935 1.00 0.00 H new ATOM 0 HA SER A 79 8.132 -20.079 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.994 -19.661 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.614 -19.594 6.133 1.00 0.00 H new ATOM 0 HG SER A 79 9.452 -21.746 5.912 1.00 0.00 H new ATOM 1195 N GLY A 80 5.834 -20.242 4.163 1.00 0.00 N ATOM 1196 CA GLY A 80 4.436 -20.209 4.550 1.00 0.00 C ATOM 1197 C GLY A 80 3.504 -20.161 3.356 1.00 0.00 C ATOM 1198 O GLY A 80 2.548 -19.385 3.337 1.00 0.00 O ATOM 0 H GLY A 80 6.109 -21.061 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.208 -21.090 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.258 -19.338 5.181 1.00 0.00 H new TER 1202 GLY A 80