USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl -163:sc= -0.0448 (180deg=-0.394) USER MOD Set 1.2: A 50 CYS SG : rot 26:sc= -0.911! USER MOD Set 2.1: A 43 LYS NZ :NH3+ -159:sc= 2.38 (180deg=0.966) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.488 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00912) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.17) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.571 K(o=0.57,f=-0.015) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.183) USER MOD Single : A 36 SER OG : rot 55:sc= 0.273 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= -0.0322 (180deg=-0.214) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= -0.0208 (180deg=-0.176) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.9 USER MOD Single : A 65 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc=-0.000435 (180deg=-0.0705) USER MOD Single : A 77 SER OG : rot 160:sc= -0.168 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.368 13.343 -3.705 1.00 0.00 N ATOM 19 CA ALA A 2 8.139 12.611 -3.882 1.00 0.00 C ATOM 20 C ALA A 2 8.409 11.385 -4.724 1.00 0.00 C ATOM 21 O ALA A 2 9.031 11.471 -5.785 1.00 0.00 O ATOM 22 CB ALA A 2 7.068 13.480 -4.529 1.00 0.00 C ATOM 0 HA ALA A 2 7.765 12.307 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.153 12.900 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.869 14.344 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.415 13.818 -5.506 1.00 0.00 H new ATOM 28 N TYR A 3 7.977 10.266 -4.245 1.00 0.00 N ATOM 29 CA TYR A 3 8.186 9.000 -4.912 1.00 0.00 C ATOM 30 C TYR A 3 7.011 8.699 -5.845 1.00 0.00 C ATOM 31 O TYR A 3 6.023 9.443 -5.875 1.00 0.00 O ATOM 32 CB TYR A 3 8.365 7.874 -3.867 1.00 0.00 C ATOM 33 CG TYR A 3 9.607 8.010 -2.971 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.771 9.104 -2.126 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.596 7.031 -2.958 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.867 9.224 -1.303 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.706 7.148 -2.131 1.00 0.00 C ATOM 38 CZ TYR A 3 11.832 8.251 -1.307 1.00 0.00 C ATOM 39 OH TYR A 3 12.925 8.376 -0.473 1.00 0.00 O ATOM 0 H TYR A 3 7.461 10.192 -3.368 1.00 0.00 H new ATOM 0 HA TYR A 3 9.094 9.056 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.479 7.844 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.415 6.919 -4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.018 9.879 -2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.499 6.168 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.967 10.083 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.467 6.381 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 3 13.518 7.605 -0.593 1.00 0.00 H new ATOM 49 N PHE A 4 7.130 7.648 -6.613 1.00 0.00 N ATOM 50 CA PHE A 4 6.079 7.221 -7.526 1.00 0.00 C ATOM 51 C PHE A 4 5.244 6.137 -6.872 1.00 0.00 C ATOM 52 O PHE A 4 5.667 5.563 -5.896 1.00 0.00 O ATOM 53 CB PHE A 4 6.693 6.730 -8.842 1.00 0.00 C ATOM 54 CG PHE A 4 7.380 7.826 -9.604 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.651 8.676 -10.419 1.00 0.00 C ATOM 56 CD2 PHE A 4 8.748 8.020 -9.493 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.271 9.697 -11.108 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.374 9.037 -10.180 1.00 0.00 C ATOM 59 CZ PHE A 4 8.633 9.879 -10.987 1.00 0.00 C ATOM 0 H PHE A 4 7.960 7.055 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 4 5.428 8.065 -7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.409 5.936 -8.630 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.910 6.296 -9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.584 8.538 -10.516 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.330 7.366 -8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.691 10.353 -11.741 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.441 9.176 -10.088 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.120 10.680 -11.523 1.00 0.00 H new ATOM 69 N LEU A 5 4.065 5.877 -7.381 1.00 0.00 N ATOM 70 CA LEU A 5 3.190 4.876 -6.787 1.00 0.00 C ATOM 71 C LEU A 5 2.769 3.881 -7.874 1.00 0.00 C ATOM 72 O LEU A 5 2.471 4.293 -9.000 1.00 0.00 O ATOM 73 CB LEU A 5 1.948 5.597 -6.172 1.00 0.00 C ATOM 74 CG LEU A 5 1.073 4.843 -5.123 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.372 3.629 -5.687 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.888 4.459 -3.908 1.00 0.00 C ATOM 0 H LEU A 5 3.682 6.340 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 5 3.703 4.329 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.300 6.517 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.296 5.887 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 5 0.295 5.546 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.218 3.153 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.285 3.934 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.113 2.923 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.252 3.935 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.707 3.807 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.292 5.358 -3.442 1.00 0.00 H new ATOM 88 N ASP A 6 2.782 2.596 -7.559 1.00 0.00 N ATOM 89 CA ASP A 6 2.278 1.567 -8.471 1.00 0.00 C ATOM 90 C ASP A 6 1.540 0.501 -7.679 1.00 0.00 C ATOM 91 O ASP A 6 1.813 0.300 -6.487 1.00 0.00 O ATOM 92 CB ASP A 6 3.396 0.930 -9.306 1.00 0.00 C ATOM 93 CG ASP A 6 2.881 -0.095 -10.316 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.146 0.285 -11.270 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.207 -1.278 -10.190 1.00 0.00 O ATOM 0 H ASP A 6 3.137 2.233 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 6 1.594 2.049 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.937 1.714 -9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.109 0.447 -8.638 1.00 0.00 H new ATOM 100 N PHE A 7 0.622 -0.166 -8.320 1.00 0.00 N ATOM 101 CA PHE A 7 -0.194 -1.175 -7.676 1.00 0.00 C ATOM 102 C PHE A 7 0.110 -2.544 -8.245 1.00 0.00 C ATOM 103 O PHE A 7 0.091 -2.737 -9.476 1.00 0.00 O ATOM 104 CB PHE A 7 -1.685 -0.894 -7.877 1.00 0.00 C ATOM 105 CG PHE A 7 -2.177 0.416 -7.344 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.571 0.540 -6.029 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.266 1.520 -8.174 1.00 0.00 C ATOM 108 CE1 PHE A 7 -3.041 1.741 -5.546 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.733 2.726 -7.698 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.123 2.837 -6.383 1.00 0.00 C ATOM 0 H PHE A 7 0.412 -0.030 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 7 0.041 -1.148 -6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.903 -0.936 -8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.254 -1.694 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.510 -0.314 -5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.966 1.435 -9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.345 1.826 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.793 3.581 -8.355 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.493 3.779 -6.006 1.00 0.00 H new ATOM 120 N ASP A 8 0.379 -3.471 -7.365 1.00 0.00 N ATOM 121 CA ASP A 8 0.623 -4.863 -7.714 1.00 0.00 C ATOM 122 C ASP A 8 -0.637 -5.527 -8.243 1.00 0.00 C ATOM 123 O ASP A 8 -1.741 -5.079 -7.952 1.00 0.00 O ATOM 124 CB ASP A 8 1.139 -5.654 -6.514 1.00 0.00 C ATOM 125 CG ASP A 8 1.331 -7.100 -6.855 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.133 -7.397 -7.751 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.648 -7.964 -6.284 1.00 0.00 O ATOM 0 H ASP A 8 0.438 -3.286 -6.364 1.00 0.00 H new ATOM 0 HA ASP A 8 1.383 -4.864 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.084 -5.230 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.435 -5.564 -5.687 1.00 0.00 H new ATOM 132 N GLU A 9 -0.458 -6.583 -9.015 1.00 0.00 N ATOM 133 CA GLU A 9 -1.534 -7.372 -9.574 1.00 0.00 C ATOM 134 C GLU A 9 -2.522 -7.838 -8.475 1.00 0.00 C ATOM 135 O GLU A 9 -3.735 -7.805 -8.685 1.00 0.00 O ATOM 136 CB GLU A 9 -0.939 -8.588 -10.302 1.00 0.00 C ATOM 137 CG GLU A 9 0.032 -9.394 -9.444 1.00 0.00 C ATOM 138 CD GLU A 9 0.545 -10.632 -10.110 1.00 0.00 C ATOM 139 OE1 GLU A 9 1.544 -10.560 -10.869 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.007 -11.711 -9.855 1.00 0.00 O ATOM 0 H GLU A 9 0.467 -6.923 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.092 -6.754 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.750 -9.239 -10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.423 -8.248 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.877 -8.760 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.465 -9.672 -8.514 1.00 0.00 H new ATOM 147 N ARG A 10 -2.010 -8.215 -7.286 1.00 0.00 N ATOM 148 CA ARG A 10 -2.885 -8.642 -6.200 1.00 0.00 C ATOM 149 C ARG A 10 -3.617 -7.456 -5.628 1.00 0.00 C ATOM 150 O ARG A 10 -4.825 -7.511 -5.371 1.00 0.00 O ATOM 151 CB ARG A 10 -2.130 -9.366 -5.086 1.00 0.00 C ATOM 152 CG ARG A 10 -1.455 -10.648 -5.520 1.00 0.00 C ATOM 153 CD ARG A 10 -0.846 -11.366 -4.333 1.00 0.00 C ATOM 154 NE ARG A 10 -0.145 -12.584 -4.741 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.022 -13.687 -4.001 1.00 0.00 C ATOM 156 NH1 ARG A 10 -0.725 -13.834 -2.883 1.00 0.00 N ATOM 157 NH2 ARG A 10 0.734 -14.682 -4.432 1.00 0.00 N ATOM 0 H ARG A 10 -1.014 -8.230 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.596 -9.350 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.376 -8.693 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.827 -9.592 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.180 -11.298 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.679 -10.425 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.151 -10.700 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.630 -11.619 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 10 0.284 -12.590 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.366 -13.099 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.623 -14.681 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.219 -14.604 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.832 -15.528 -3.871 1.00 0.00 H new ATOM 171 N ALA A 11 -2.887 -6.371 -5.472 1.00 0.00 N ATOM 172 CA ALA A 11 -3.433 -5.138 -4.950 1.00 0.00 C ATOM 173 C ALA A 11 -4.514 -4.604 -5.870 1.00 0.00 C ATOM 174 O ALA A 11 -5.501 -4.075 -5.414 1.00 0.00 O ATOM 175 CB ALA A 11 -2.339 -4.102 -4.766 1.00 0.00 C ATOM 0 H ALA A 11 -1.895 -6.321 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.876 -5.347 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.771 -3.182 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.593 -4.481 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.865 -3.898 -5.726 1.00 0.00 H new ATOM 181 N LEU A 12 -4.335 -4.795 -7.165 1.00 0.00 N ATOM 182 CA LEU A 12 -5.282 -4.331 -8.155 1.00 0.00 C ATOM 183 C LEU A 12 -6.586 -5.061 -8.062 1.00 0.00 C ATOM 184 O LEU A 12 -7.645 -4.456 -8.225 1.00 0.00 O ATOM 185 CB LEU A 12 -4.718 -4.447 -9.561 1.00 0.00 C ATOM 186 CG LEU A 12 -3.690 -3.396 -9.969 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.125 -3.730 -11.325 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.335 -2.016 -10.007 1.00 0.00 C ATOM 0 H LEU A 12 -3.526 -5.277 -7.557 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.467 -3.278 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.260 -5.431 -9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.548 -4.405 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.884 -3.391 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.392 -2.975 -11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.644 -4.707 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.930 -3.749 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.591 -1.275 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.151 -2.016 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.725 -1.769 -9.019 1.00 0.00 H new ATOM 200 N LYS A 13 -6.522 -6.348 -7.781 1.00 0.00 N ATOM 201 CA LYS A 13 -7.725 -7.145 -7.665 1.00 0.00 C ATOM 202 C LYS A 13 -8.566 -6.613 -6.520 1.00 0.00 C ATOM 203 O LYS A 13 -9.756 -6.333 -6.688 1.00 0.00 O ATOM 204 CB LYS A 13 -7.351 -8.582 -7.334 1.00 0.00 C ATOM 205 CG LYS A 13 -6.493 -9.284 -8.355 1.00 0.00 C ATOM 206 CD LYS A 13 -5.882 -10.525 -7.738 1.00 0.00 C ATOM 207 CE LYS A 13 -5.031 -11.306 -8.726 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.836 -11.968 -9.771 1.00 0.00 N ATOM 0 H LYS A 13 -5.654 -6.861 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.275 -7.099 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.827 -8.591 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.268 -9.156 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.092 -9.555 -9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.707 -8.615 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.270 -10.238 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.677 -11.168 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.316 -10.631 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.453 -12.057 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.212 -12.527 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.535 -12.595 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.328 -11.248 -10.338 1.00 0.00 H new ATOM 222 N GLU A 14 -7.909 -6.375 -5.398 1.00 0.00 N ATOM 223 CA GLU A 14 -8.563 -5.877 -4.218 1.00 0.00 C ATOM 224 C GLU A 14 -9.003 -4.419 -4.379 1.00 0.00 C ATOM 225 O GLU A 14 -10.065 -4.043 -3.945 1.00 0.00 O ATOM 226 CB GLU A 14 -7.672 -6.060 -3.012 1.00 0.00 C ATOM 227 CG GLU A 14 -7.205 -7.498 -2.818 1.00 0.00 C ATOM 228 CD GLU A 14 -8.342 -8.501 -2.710 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.986 -8.607 -1.637 1.00 0.00 O ATOM 230 OE2 GLU A 14 -8.595 -9.230 -3.681 1.00 0.00 O ATOM 0 H GLU A 14 -6.906 -6.524 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.472 -6.459 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.801 -5.413 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.209 -5.737 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.564 -7.778 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.596 -7.554 -1.916 1.00 0.00 H new ATOM 237 N TRP A 15 -8.178 -3.626 -5.027 1.00 0.00 N ATOM 238 CA TRP A 15 -8.448 -2.204 -5.278 1.00 0.00 C ATOM 239 C TRP A 15 -9.725 -2.044 -6.117 1.00 0.00 C ATOM 240 O TRP A 15 -10.572 -1.187 -5.845 1.00 0.00 O ATOM 241 CB TRP A 15 -7.236 -1.600 -6.012 1.00 0.00 C ATOM 242 CG TRP A 15 -7.294 -0.132 -6.283 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.720 0.477 -7.427 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.877 0.911 -5.403 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.604 1.834 -7.304 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.085 2.130 -6.073 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.350 0.934 -4.110 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.783 3.358 -5.494 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.051 2.151 -3.537 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.267 3.346 -4.228 1.00 0.00 C ATOM 0 H TRP A 15 -7.285 -3.943 -5.405 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.603 -1.681 -4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.342 -1.805 -5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.117 -2.120 -6.963 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.094 -0.037 -8.301 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.863 2.517 -8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.180 0.015 -3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.950 4.284 -6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.643 2.182 -2.537 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.020 4.283 -3.751 1.00 0.00 H new ATOM 261 N ARG A 16 -9.854 -2.876 -7.126 1.00 0.00 N ATOM 262 CA ARG A 16 -11.026 -2.875 -8.000 1.00 0.00 C ATOM 263 C ARG A 16 -12.236 -3.516 -7.305 1.00 0.00 C ATOM 264 O ARG A 16 -13.373 -3.310 -7.693 1.00 0.00 O ATOM 265 CB ARG A 16 -10.690 -3.559 -9.316 1.00 0.00 C ATOM 266 CG ARG A 16 -9.576 -2.851 -10.072 1.00 0.00 C ATOM 267 CD ARG A 16 -9.132 -3.634 -11.280 1.00 0.00 C ATOM 268 NE ARG A 16 -8.025 -2.975 -11.984 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.310 -3.520 -12.972 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.541 -4.767 -13.350 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.360 -2.814 -13.565 1.00 0.00 N ATOM 0 H ARG A 16 -9.154 -3.576 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.305 -1.844 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.394 -4.590 -9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.582 -3.596 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.919 -1.865 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.726 -2.697 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.823 -4.633 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.973 -3.757 -11.962 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.783 -2.027 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.266 -5.314 -12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.994 -5.181 -14.105 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.175 -1.856 -13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.813 -3.228 -14.320 1.00 0.00 H new ATOM 285 N LYS A 17 -11.953 -4.303 -6.302 1.00 0.00 N ATOM 286 CA LYS A 17 -12.948 -4.975 -5.464 1.00 0.00 C ATOM 287 C LYS A 17 -13.474 -3.998 -4.391 1.00 0.00 C ATOM 288 O LYS A 17 -14.585 -4.150 -3.853 1.00 0.00 O ATOM 289 CB LYS A 17 -12.225 -6.162 -4.840 1.00 0.00 C ATOM 290 CG LYS A 17 -12.923 -6.979 -3.788 1.00 0.00 C ATOM 291 CD LYS A 17 -11.955 -8.061 -3.354 1.00 0.00 C ATOM 292 CE LYS A 17 -12.435 -8.870 -2.187 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.421 -9.870 -1.814 1.00 0.00 N ATOM 0 H LYS A 17 -10.994 -4.510 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.816 -5.309 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.947 -6.838 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.299 -5.789 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.209 -6.355 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.839 -7.417 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.770 -8.729 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.001 -7.600 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.640 -8.215 -1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.372 -9.367 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.608 -10.211 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.461 -10.670 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.476 -9.437 -1.851 1.00 0.00 H new ATOM 307 N LEU A 18 -12.662 -3.013 -4.093 1.00 0.00 N ATOM 308 CA LEU A 18 -12.994 -1.957 -3.161 1.00 0.00 C ATOM 309 C LEU A 18 -13.975 -0.985 -3.772 1.00 0.00 C ATOM 310 O LEU A 18 -14.083 -0.870 -5.006 1.00 0.00 O ATOM 311 CB LEU A 18 -11.733 -1.186 -2.752 1.00 0.00 C ATOM 312 CG LEU A 18 -11.189 -1.413 -1.344 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.880 -2.877 -1.086 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.957 -0.568 -1.140 1.00 0.00 C ATOM 0 H LEU A 18 -11.731 -2.919 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.444 -2.424 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.943 -1.434 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.939 -0.122 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.958 -1.118 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.495 -2.995 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.790 -3.466 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.133 -3.222 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.568 -0.729 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.199 -0.847 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.213 0.484 -1.266 1.00 0.00 H new ATOM 326 N GLY A 19 -14.671 -0.289 -2.921 1.00 0.00 N ATOM 327 CA GLY A 19 -15.580 0.720 -3.348 1.00 0.00 C ATOM 328 C GLY A 19 -14.810 1.926 -3.781 1.00 0.00 C ATOM 329 O GLY A 19 -13.785 2.268 -3.153 1.00 0.00 O ATOM 0 H GLY A 19 -14.620 -0.410 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.192 0.350 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.260 0.980 -2.537 1.00 0.00 H new ATOM 333 N SER A 20 -15.272 2.571 -4.828 1.00 0.00 N ATOM 334 CA SER A 20 -14.592 3.700 -5.416 1.00 0.00 C ATOM 335 C SER A 20 -14.261 4.821 -4.409 1.00 0.00 C ATOM 336 O SER A 20 -13.142 5.308 -4.381 1.00 0.00 O ATOM 337 CB SER A 20 -15.374 4.182 -6.635 1.00 0.00 C ATOM 338 OG SER A 20 -16.781 4.037 -6.429 1.00 0.00 O ATOM 0 H SER A 20 -16.141 2.322 -5.300 1.00 0.00 H new ATOM 0 HA SER A 20 -13.609 3.368 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.137 5.227 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.071 3.614 -7.514 1.00 0.00 H new ATOM 0 HG SER A 20 -17.262 4.354 -7.222 1.00 0.00 H new ATOM 344 N THR A 21 -15.185 5.128 -3.532 1.00 0.00 N ATOM 345 CA THR A 21 -14.983 6.169 -2.538 1.00 0.00 C ATOM 346 C THR A 21 -13.900 5.749 -1.510 1.00 0.00 C ATOM 347 O THR A 21 -13.018 6.559 -1.139 1.00 0.00 O ATOM 348 CB THR A 21 -16.322 6.512 -1.828 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.269 6.975 -2.806 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.142 7.591 -0.771 1.00 0.00 C ATOM 0 H THR A 21 -16.095 4.670 -3.482 1.00 0.00 H new ATOM 0 HA THR A 21 -14.629 7.065 -3.048 1.00 0.00 H new ATOM 0 HB THR A 21 -16.680 5.608 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.116 7.191 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.102 7.801 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.434 7.247 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.761 8.499 -1.239 1.00 0.00 H new ATOM 358 N VAL A 22 -13.931 4.481 -1.099 1.00 0.00 N ATOM 359 CA VAL A 22 -12.979 3.961 -0.125 1.00 0.00 C ATOM 360 C VAL A 22 -11.579 3.959 -0.708 1.00 0.00 C ATOM 361 O VAL A 22 -10.631 4.460 -0.086 1.00 0.00 O ATOM 362 CB VAL A 22 -13.361 2.531 0.336 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.297 1.950 1.255 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.696 2.556 1.047 1.00 0.00 C ATOM 0 H VAL A 22 -14.610 3.795 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.006 4.615 0.746 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.433 1.897 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.591 0.947 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.345 1.903 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.191 2.584 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.957 1.547 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.632 3.208 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.463 2.931 0.369 1.00 0.00 H new ATOM 374 N ARG A 23 -11.456 3.461 -1.918 1.00 0.00 N ATOM 375 CA ARG A 23 -10.172 3.430 -2.566 1.00 0.00 C ATOM 376 C ARG A 23 -9.650 4.827 -2.850 1.00 0.00 C ATOM 377 O ARG A 23 -8.468 5.043 -2.792 1.00 0.00 O ATOM 378 CB ARG A 23 -10.124 2.548 -3.800 1.00 0.00 C ATOM 379 CG ARG A 23 -11.139 2.870 -4.856 1.00 0.00 C ATOM 380 CD ARG A 23 -10.806 2.149 -6.123 1.00 0.00 C ATOM 381 NE ARG A 23 -11.775 2.420 -7.178 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.516 1.492 -7.801 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.411 0.199 -7.474 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.363 1.860 -8.751 1.00 0.00 N ATOM 0 H ARG A 23 -12.225 3.076 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.498 2.960 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.130 2.621 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.261 1.512 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.134 2.583 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.161 3.945 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.812 2.446 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.770 1.077 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.899 3.391 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.761 -0.091 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.980 -0.497 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.449 2.844 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.929 1.159 -9.229 1.00 0.00 H new ATOM 398 N GLU A 24 -10.536 5.771 -3.171 1.00 0.00 N ATOM 399 CA GLU A 24 -10.129 7.159 -3.382 1.00 0.00 C ATOM 400 C GLU A 24 -9.448 7.749 -2.165 1.00 0.00 C ATOM 401 O GLU A 24 -8.474 8.482 -2.292 1.00 0.00 O ATOM 402 CB GLU A 24 -11.285 8.048 -3.786 1.00 0.00 C ATOM 403 CG GLU A 24 -11.726 7.873 -5.211 1.00 0.00 C ATOM 404 CD GLU A 24 -12.655 8.954 -5.652 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.821 8.986 -5.209 1.00 0.00 O ATOM 406 OE2 GLU A 24 -12.226 9.806 -6.451 1.00 0.00 O ATOM 0 H GLU A 24 -11.535 5.600 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.414 7.126 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.131 7.847 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.000 9.089 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.851 7.861 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.218 6.907 -5.321 1.00 0.00 H new ATOM 413 N GLN A 25 -9.938 7.411 -0.994 1.00 0.00 N ATOM 414 CA GLN A 25 -9.360 7.910 0.235 1.00 0.00 C ATOM 415 C GLN A 25 -7.998 7.282 0.463 1.00 0.00 C ATOM 416 O GLN A 25 -7.060 7.954 0.895 1.00 0.00 O ATOM 417 CB GLN A 25 -10.306 7.657 1.383 1.00 0.00 C ATOM 418 CG GLN A 25 -11.575 8.459 1.272 1.00 0.00 C ATOM 419 CD GLN A 25 -12.670 7.926 2.135 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.823 8.303 3.297 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.458 7.069 1.560 1.00 0.00 N ATOM 0 H GLN A 25 -10.738 6.791 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.210 8.987 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.553 6.596 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.807 7.900 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.371 9.494 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.907 8.465 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.288 6.789 0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.247 6.676 2.074 1.00 0.00 H new ATOM 430 N LEU A 26 -7.884 6.007 0.133 1.00 0.00 N ATOM 431 CA LEU A 26 -6.606 5.317 0.188 1.00 0.00 C ATOM 432 C LEU A 26 -5.645 5.935 -0.820 1.00 0.00 C ATOM 433 O LEU A 26 -4.484 6.173 -0.510 1.00 0.00 O ATOM 434 CB LEU A 26 -6.779 3.816 -0.069 1.00 0.00 C ATOM 435 CG LEU A 26 -7.482 3.018 1.038 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.751 1.611 0.580 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.629 2.993 2.300 1.00 0.00 C ATOM 0 H LEU A 26 -8.664 5.427 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.189 5.431 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.342 3.689 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.793 3.380 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.431 3.507 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.250 1.058 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.390 1.632 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.808 1.122 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.142 2.423 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.669 2.525 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.465 4.013 2.648 1.00 0.00 H new ATOM 449 N LYS A 27 -6.159 6.221 -2.016 1.00 0.00 N ATOM 450 CA LYS A 27 -5.409 6.890 -3.069 1.00 0.00 C ATOM 451 C LYS A 27 -4.870 8.235 -2.575 1.00 0.00 C ATOM 452 O LYS A 27 -3.717 8.554 -2.803 1.00 0.00 O ATOM 453 CB LYS A 27 -6.325 7.144 -4.264 1.00 0.00 C ATOM 454 CG LYS A 27 -5.655 7.866 -5.422 1.00 0.00 C ATOM 455 CD LYS A 27 -6.672 8.460 -6.388 1.00 0.00 C ATOM 456 CE LYS A 27 -7.510 9.541 -5.701 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.402 10.255 -6.636 1.00 0.00 N ATOM 0 H LYS A 27 -7.117 5.991 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.575 6.250 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.711 6.189 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.182 7.730 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.017 8.660 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.009 7.171 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.156 8.886 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.325 7.673 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.108 9.084 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.845 10.259 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.945 10.975 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.833 10.716 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.057 9.578 -7.076 1.00 0.00 H new ATOM 471 N LYS A 28 -5.714 9.001 -1.880 1.00 0.00 N ATOM 472 CA LYS A 28 -5.318 10.303 -1.323 1.00 0.00 C ATOM 473 C LYS A 28 -4.164 10.139 -0.372 1.00 0.00 C ATOM 474 O LYS A 28 -3.208 10.922 -0.395 1.00 0.00 O ATOM 475 CB LYS A 28 -6.478 10.977 -0.604 1.00 0.00 C ATOM 476 CG LYS A 28 -7.592 11.429 -1.511 1.00 0.00 C ATOM 477 CD LYS A 28 -8.743 11.989 -0.708 1.00 0.00 C ATOM 478 CE LYS A 28 -9.822 12.524 -1.613 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.011 12.946 -0.850 1.00 0.00 N ATOM 0 H LYS A 28 -6.682 8.743 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.014 10.937 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.884 10.285 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.099 11.840 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.221 12.187 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.938 10.590 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.155 11.211 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.383 12.784 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.435 13.370 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.105 11.758 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.733 13.309 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.395 12.133 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.745 13.695 -0.179 1.00 0.00 H new ATOM 493 N LYS A 29 -4.248 9.101 0.440 1.00 0.00 N ATOM 494 CA LYS A 29 -3.199 8.778 1.377 1.00 0.00 C ATOM 495 C LYS A 29 -1.917 8.398 0.686 1.00 0.00 C ATOM 496 O LYS A 29 -0.834 8.700 1.169 1.00 0.00 O ATOM 497 CB LYS A 29 -3.617 7.727 2.399 1.00 0.00 C ATOM 498 CG LYS A 29 -4.188 8.307 3.687 1.00 0.00 C ATOM 499 CD LYS A 29 -5.460 9.092 3.476 1.00 0.00 C ATOM 500 CE LYS A 29 -5.885 9.769 4.760 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.928 10.824 5.164 1.00 0.00 N ATOM 0 H LYS A 29 -5.044 8.463 0.465 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.008 9.694 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.361 7.071 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.753 7.109 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.382 7.495 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.442 8.954 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.308 9.839 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.251 8.427 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.875 10.206 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.965 9.027 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.438 11.586 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.214 10.419 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.459 11.209 4.319 1.00 0.00 H new ATOM 515 N LEU A 30 -2.039 7.751 -0.434 1.00 0.00 N ATOM 516 CA LEU A 30 -0.894 7.396 -1.225 1.00 0.00 C ATOM 517 C LEU A 30 -0.266 8.650 -1.809 1.00 0.00 C ATOM 518 O LEU A 30 0.940 8.823 -1.757 1.00 0.00 O ATOM 519 CB LEU A 30 -1.293 6.431 -2.332 1.00 0.00 C ATOM 520 CG LEU A 30 -1.914 5.121 -1.864 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.315 4.270 -3.043 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.960 4.369 -0.951 1.00 0.00 C ATOM 0 H LEU A 30 -2.932 7.454 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.162 6.899 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.000 6.934 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.409 6.202 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.813 5.354 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.756 3.339 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.044 4.808 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.435 4.047 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.424 3.437 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.039 4.149 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.732 4.982 -0.079 1.00 0.00 H new ATOM 534 N VAL A 31 -1.108 9.544 -2.313 1.00 0.00 N ATOM 535 CA VAL A 31 -0.656 10.795 -2.914 1.00 0.00 C ATOM 536 C VAL A 31 0.105 11.651 -1.894 1.00 0.00 C ATOM 537 O VAL A 31 1.198 12.155 -2.186 1.00 0.00 O ATOM 538 CB VAL A 31 -1.861 11.610 -3.487 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.417 12.951 -4.051 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.580 10.815 -4.558 1.00 0.00 C ATOM 0 H VAL A 31 -2.121 9.424 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 31 0.017 10.539 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.545 11.801 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.283 13.487 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.949 13.540 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.700 12.788 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.416 11.398 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.888 10.589 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.954 9.885 -4.131 1.00 0.00 H new ATOM 550 N GLU A 32 -0.448 11.765 -0.693 1.00 0.00 N ATOM 551 CA GLU A 32 0.184 12.541 0.365 1.00 0.00 C ATOM 552 C GLU A 32 1.463 11.871 0.870 1.00 0.00 C ATOM 553 O GLU A 32 2.496 12.524 1.036 1.00 0.00 O ATOM 554 CB GLU A 32 -0.788 12.829 1.527 1.00 0.00 C ATOM 555 CG GLU A 32 -1.364 11.601 2.181 1.00 0.00 C ATOM 556 CD GLU A 32 -2.281 11.901 3.336 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.803 12.021 4.467 1.00 0.00 O ATOM 558 OE2 GLU A 32 -3.506 12.033 3.142 1.00 0.00 O ATOM 0 H GLU A 32 -1.332 11.330 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 32 0.463 13.500 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.266 13.416 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.607 13.444 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.912 11.026 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.547 10.971 2.532 1.00 0.00 H new ATOM 565 N VAL A 33 1.402 10.560 1.059 1.00 0.00 N ATOM 566 CA VAL A 33 2.496 9.812 1.630 1.00 0.00 C ATOM 567 C VAL A 33 3.735 9.848 0.745 1.00 0.00 C ATOM 568 O VAL A 33 4.822 9.788 1.238 1.00 0.00 O ATOM 569 CB VAL A 33 2.131 8.357 2.044 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.170 7.375 0.876 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.000 7.900 3.202 1.00 0.00 C ATOM 0 H VAL A 33 0.590 9.992 0.818 1.00 0.00 H new ATOM 0 HA VAL A 33 2.731 10.327 2.561 1.00 0.00 H new ATOM 0 HB VAL A 33 1.094 8.369 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.906 6.378 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.458 7.689 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.173 7.355 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.731 6.880 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.048 7.931 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.845 8.560 4.056 1.00 0.00 H new ATOM 581 N LEU A 34 3.543 9.961 -0.565 1.00 0.00 N ATOM 582 CA LEU A 34 4.645 9.956 -1.536 1.00 0.00 C ATOM 583 C LEU A 34 5.718 11.001 -1.244 1.00 0.00 C ATOM 584 O LEU A 34 6.869 10.812 -1.638 1.00 0.00 O ATOM 585 CB LEU A 34 4.132 10.147 -2.966 1.00 0.00 C ATOM 586 CG LEU A 34 3.297 9.014 -3.549 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.818 9.377 -4.938 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.096 7.723 -3.581 1.00 0.00 C ATOM 0 H LEU A 34 2.621 10.059 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 34 5.107 8.974 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.536 11.059 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.991 10.307 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 34 2.427 8.861 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.223 8.559 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.209 10.279 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.677 9.555 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.482 6.926 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.984 7.860 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.396 7.455 -2.568 1.00 0.00 H new ATOM 600 N GLU A 35 5.366 12.092 -0.563 1.00 0.00 N ATOM 601 CA GLU A 35 6.367 13.109 -0.249 1.00 0.00 C ATOM 602 C GLU A 35 7.258 12.660 0.923 1.00 0.00 C ATOM 603 O GLU A 35 8.384 13.131 1.081 1.00 0.00 O ATOM 604 CB GLU A 35 5.721 14.475 0.026 1.00 0.00 C ATOM 605 CG GLU A 35 4.813 14.513 1.236 1.00 0.00 C ATOM 606 CD GLU A 35 4.088 15.816 1.365 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.004 15.969 0.767 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.564 16.715 2.074 1.00 0.00 O ATOM 0 H GLU A 35 4.424 12.291 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 35 7.004 13.228 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.510 15.215 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.147 14.774 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.088 13.702 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.403 14.338 2.135 1.00 0.00 H new ATOM 615 N SER A 36 6.770 11.723 1.709 1.00 0.00 N ATOM 616 CA SER A 36 7.505 11.198 2.835 1.00 0.00 C ATOM 617 C SER A 36 7.021 9.775 3.177 1.00 0.00 C ATOM 618 O SER A 36 6.331 9.574 4.166 1.00 0.00 O ATOM 619 CB SER A 36 7.367 12.145 4.044 1.00 0.00 C ATOM 620 OG SER A 36 5.988 12.372 4.355 1.00 0.00 O ATOM 0 H SER A 36 5.849 11.304 1.582 1.00 0.00 H new ATOM 0 HA SER A 36 8.561 11.135 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.874 11.716 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.857 13.094 3.826 1.00 0.00 H new ATOM 0 HG SER A 36 5.536 11.512 4.483 1.00 0.00 H new ATOM 626 N PRO A 37 7.305 8.773 2.318 1.00 0.00 N ATOM 627 CA PRO A 37 6.842 7.404 2.549 1.00 0.00 C ATOM 628 C PRO A 37 7.709 6.659 3.545 1.00 0.00 C ATOM 629 O PRO A 37 7.353 5.602 4.020 1.00 0.00 O ATOM 630 CB PRO A 37 6.922 6.769 1.164 1.00 0.00 C ATOM 631 CG PRO A 37 8.045 7.481 0.498 1.00 0.00 C ATOM 632 CD PRO A 37 8.023 8.894 1.027 1.00 0.00 C ATOM 0 HA PRO A 37 5.843 7.374 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.112 5.698 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.989 6.895 0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.997 6.998 0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.925 7.469 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.031 9.286 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.508 9.570 0.344 1.00 0.00 H new ATOM 640 N ARG A 38 8.816 7.257 3.884 1.00 0.00 N ATOM 641 CA ARG A 38 9.789 6.676 4.793 1.00 0.00 C ATOM 642 C ARG A 38 9.511 7.024 6.263 1.00 0.00 C ATOM 643 O ARG A 38 10.427 7.245 7.039 1.00 0.00 O ATOM 644 CB ARG A 38 11.229 7.053 4.342 1.00 0.00 C ATOM 645 CG ARG A 38 11.436 8.508 3.876 1.00 0.00 C ATOM 646 CD ARG A 38 11.282 9.536 4.985 1.00 0.00 C ATOM 647 NE ARG A 38 11.366 10.904 4.463 1.00 0.00 N ATOM 648 CZ ARG A 38 11.329 12.026 5.196 1.00 0.00 C ATOM 649 NH1 ARG A 38 11.300 11.960 6.529 1.00 0.00 N ATOM 650 NH2 ARG A 38 11.360 13.211 4.588 1.00 0.00 N ATOM 0 H ARG A 38 9.081 8.178 3.535 1.00 0.00 H new ATOM 0 HA ARG A 38 9.695 5.591 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.910 6.858 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.519 6.388 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.431 8.602 3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.721 8.731 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.324 9.394 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.058 9.383 5.735 1.00 0.00 H new ATOM 0 HE ARG A 38 11.461 11.011 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.306 11.053 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.272 12.817 7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.412 13.261 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.332 14.068 5.140 1.00 0.00 H new ATOM 664 N ILE A 39 8.245 7.041 6.636 1.00 0.00 N ATOM 665 CA ILE A 39 7.842 7.321 8.015 1.00 0.00 C ATOM 666 C ILE A 39 7.922 6.021 8.812 1.00 0.00 C ATOM 667 O ILE A 39 7.105 5.114 8.610 1.00 0.00 O ATOM 668 CB ILE A 39 6.397 7.915 8.080 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.347 9.250 7.320 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.945 8.110 9.532 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.970 9.890 7.258 1.00 0.00 C ATOM 0 H ILE A 39 7.466 6.863 6.002 1.00 0.00 H new ATOM 0 HA ILE A 39 8.513 8.067 8.441 1.00 0.00 H new ATOM 0 HB ILE A 39 5.713 7.209 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.037 9.949 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.704 9.088 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.937 8.524 9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.950 7.149 10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.626 8.795 10.036 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.029 10.827 6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.277 9.214 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.615 10.088 8.269 1.00 0.00 H new ATOM 683 N GLU A 40 8.890 5.937 9.719 1.00 0.00 N ATOM 684 CA GLU A 40 9.182 4.703 10.434 1.00 0.00 C ATOM 685 C GLU A 40 8.031 4.174 11.282 1.00 0.00 C ATOM 686 O GLU A 40 7.910 2.965 11.486 1.00 0.00 O ATOM 687 CB GLU A 40 10.474 4.787 11.235 1.00 0.00 C ATOM 688 CG GLU A 40 10.541 5.906 12.244 1.00 0.00 C ATOM 689 CD GLU A 40 11.826 5.875 13.009 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.851 6.393 12.500 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.850 5.304 14.110 1.00 0.00 O ATOM 0 H GLU A 40 9.491 6.720 9.977 1.00 0.00 H new ATOM 0 HA GLU A 40 9.325 3.963 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.619 3.841 11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.306 4.898 10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.443 6.864 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.702 5.825 12.935 1.00 0.00 H new ATOM 698 N ALA A 41 7.167 5.054 11.729 1.00 0.00 N ATOM 699 CA ALA A 41 6.011 4.669 12.531 1.00 0.00 C ATOM 700 C ALA A 41 4.994 3.866 11.711 1.00 0.00 C ATOM 701 O ALA A 41 4.105 3.233 12.259 1.00 0.00 O ATOM 702 CB ALA A 41 5.350 5.897 13.132 1.00 0.00 C ATOM 0 H ALA A 41 7.238 6.056 11.552 1.00 0.00 H new ATOM 0 HA ALA A 41 6.369 4.027 13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.489 5.592 13.727 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.064 6.420 13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.021 6.561 12.333 1.00 0.00 H new ATOM 708 N ASN A 42 5.131 3.890 10.400 1.00 0.00 N ATOM 709 CA ASN A 42 4.206 3.171 9.539 1.00 0.00 C ATOM 710 C ASN A 42 4.792 1.863 9.042 1.00 0.00 C ATOM 711 O ASN A 42 4.105 1.108 8.356 1.00 0.00 O ATOM 712 CB ASN A 42 3.757 4.031 8.344 1.00 0.00 C ATOM 713 CG ASN A 42 2.854 5.190 8.713 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.073 5.127 9.673 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.941 6.251 7.959 1.00 0.00 N ATOM 0 H ASN A 42 5.868 4.395 9.908 1.00 0.00 H new ATOM 0 HA ASN A 42 3.333 2.943 10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.641 4.421 7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.237 3.394 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.355 7.063 8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.595 6.268 7.177 1.00 0.00 H new ATOM 722 N LYS A 43 6.049 1.589 9.396 1.00 0.00 N ATOM 723 CA LYS A 43 6.738 0.371 8.933 1.00 0.00 C ATOM 724 C LYS A 43 6.166 -0.866 9.604 1.00 0.00 C ATOM 725 O LYS A 43 5.709 -0.812 10.761 1.00 0.00 O ATOM 726 CB LYS A 43 8.261 0.410 9.202 1.00 0.00 C ATOM 727 CG LYS A 43 9.002 1.581 8.593 1.00 0.00 C ATOM 728 CD LYS A 43 10.505 1.523 8.886 1.00 0.00 C ATOM 729 CE LYS A 43 11.282 0.734 7.826 1.00 0.00 C ATOM 730 NZ LYS A 43 11.562 1.554 6.613 1.00 0.00 N ATOM 0 H LYS A 43 6.613 2.188 9.999 1.00 0.00 H new ATOM 0 HA LYS A 43 6.575 0.328 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.421 0.422 10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.702 -0.512 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.843 1.590 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.592 2.512 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.900 2.537 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.664 1.066 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.222 0.384 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.712 -0.150 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.755 0.926 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.737 2.149 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.390 2.159 6.787 1.00 0.00 H new ATOM 744 N LEU A 44 6.150 -1.947 8.876 1.00 0.00 N ATOM 745 CA LEU A 44 5.754 -3.227 9.404 1.00 0.00 C ATOM 746 C LEU A 44 6.977 -3.933 9.973 1.00 0.00 C ATOM 747 O LEU A 44 8.117 -3.560 9.664 1.00 0.00 O ATOM 748 CB LEU A 44 5.129 -4.103 8.314 1.00 0.00 C ATOM 749 CG LEU A 44 3.855 -3.583 7.654 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.361 -4.578 6.628 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.782 -3.322 8.690 1.00 0.00 C ATOM 0 H LEU A 44 6.413 -1.967 7.891 1.00 0.00 H new ATOM 0 HA LEU A 44 5.011 -3.064 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.875 -4.258 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.912 -5.080 8.747 1.00 0.00 H new ATOM 0 HG LEU A 44 4.083 -2.641 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.452 -4.199 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.126 -4.724 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.149 -5.529 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.883 -2.952 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.552 -4.248 9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.138 -2.578 9.403 1.00 0.00 H new ATOM 763 N ARG A 45 6.744 -4.942 10.764 1.00 0.00 N ATOM 764 CA ARG A 45 7.787 -5.703 11.394 1.00 0.00 C ATOM 765 C ARG A 45 8.161 -6.884 10.524 1.00 0.00 C ATOM 766 O ARG A 45 7.282 -7.602 10.041 1.00 0.00 O ATOM 767 CB ARG A 45 7.296 -6.220 12.737 1.00 0.00 C ATOM 768 CG ARG A 45 6.964 -5.142 13.746 1.00 0.00 C ATOM 769 CD ARG A 45 6.336 -5.737 14.992 1.00 0.00 C ATOM 770 NE ARG A 45 7.219 -6.710 15.662 1.00 0.00 N ATOM 771 CZ ARG A 45 6.806 -7.856 16.234 1.00 0.00 C ATOM 772 NH1 ARG A 45 5.576 -8.309 16.023 1.00 0.00 N ATOM 773 NH2 ARG A 45 7.659 -8.582 16.938 1.00 0.00 N ATOM 0 H ARG A 45 5.804 -5.266 10.994 1.00 0.00 H new ATOM 0 HA ARG A 45 8.657 -5.062 11.535 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.409 -6.831 12.573 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.059 -6.873 13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.870 -4.599 14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.281 -4.420 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.090 -4.936 15.689 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.399 -6.226 14.724 1.00 0.00 H new ATOM 0 HE ARG A 45 8.216 -6.499 15.694 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.936 -7.788 15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.271 -9.178 16.460 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.625 -8.272 17.045 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.351 -9.451 17.373 1.00 0.00 H new ATOM 787 N GLY A 46 9.448 -7.059 10.300 1.00 0.00 N ATOM 788 CA GLY A 46 9.950 -8.202 9.557 1.00 0.00 C ATOM 789 C GLY A 46 9.600 -8.158 8.093 1.00 0.00 C ATOM 790 O GLY A 46 9.587 -9.193 7.418 1.00 0.00 O ATOM 0 H GLY A 46 10.173 -6.419 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.034 -8.249 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.547 -9.116 9.993 1.00 0.00 H new ATOM 794 N MET A 47 9.338 -6.984 7.598 1.00 0.00 N ATOM 795 CA MET A 47 8.933 -6.807 6.225 1.00 0.00 C ATOM 796 C MET A 47 9.848 -5.797 5.566 1.00 0.00 C ATOM 797 O MET A 47 10.074 -4.727 6.125 1.00 0.00 O ATOM 798 CB MET A 47 7.477 -6.325 6.153 1.00 0.00 C ATOM 799 CG MET A 47 6.442 -7.302 6.713 1.00 0.00 C ATOM 800 SD MET A 47 6.328 -8.850 5.781 1.00 0.00 S ATOM 801 CE MET A 47 5.711 -8.263 4.200 1.00 0.00 C ATOM 0 H MET A 47 9.398 -6.117 8.132 1.00 0.00 H new ATOM 0 HA MET A 47 9.003 -7.761 5.703 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.395 -5.383 6.695 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.231 -6.116 5.112 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.692 -7.529 7.749 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.465 -6.819 6.720 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.308 -9.102 3.633 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.925 -7.527 4.367 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.525 -7.804 3.640 1.00 0.00 H new ATOM 811 N PRO A 48 10.405 -6.118 4.388 1.00 0.00 N ATOM 812 CA PRO A 48 11.325 -5.223 3.683 1.00 0.00 C ATOM 813 C PRO A 48 10.652 -3.923 3.215 1.00 0.00 C ATOM 814 O PRO A 48 9.909 -3.910 2.221 1.00 0.00 O ATOM 815 CB PRO A 48 11.817 -6.051 2.488 1.00 0.00 C ATOM 816 CG PRO A 48 10.777 -7.101 2.292 1.00 0.00 C ATOM 817 CD PRO A 48 10.187 -7.378 3.648 1.00 0.00 C ATOM 0 HA PRO A 48 12.133 -4.893 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.926 -5.432 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.792 -6.494 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.009 -6.761 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.214 -8.005 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.127 -7.625 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.680 -8.219 4.135 1.00 0.00 H new ATOM 825 N ASP A 49 10.855 -2.859 4.011 1.00 0.00 N ATOM 826 CA ASP A 49 10.340 -1.503 3.732 1.00 0.00 C ATOM 827 C ASP A 49 8.865 -1.480 3.461 1.00 0.00 C ATOM 828 O ASP A 49 8.397 -0.755 2.578 1.00 0.00 O ATOM 829 CB ASP A 49 11.095 -0.785 2.603 1.00 0.00 C ATOM 830 CG ASP A 49 12.324 -0.064 3.084 1.00 0.00 C ATOM 831 OD1 ASP A 49 12.223 0.711 4.072 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.409 -0.224 2.483 1.00 0.00 O ATOM 0 H ASP A 49 11.388 -2.915 4.879 1.00 0.00 H new ATOM 0 HA ASP A 49 10.522 -0.951 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.381 -1.513 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.426 -0.071 2.123 1.00 0.00 H new ATOM 837 N CYS A 50 8.121 -2.225 4.228 1.00 0.00 N ATOM 838 CA CYS A 50 6.713 -2.249 4.029 1.00 0.00 C ATOM 839 C CYS A 50 6.055 -1.354 5.048 1.00 0.00 C ATOM 840 O CYS A 50 6.483 -1.291 6.204 1.00 0.00 O ATOM 841 CB CYS A 50 6.187 -3.673 4.122 1.00 0.00 C ATOM 842 SG CYS A 50 6.978 -4.821 2.964 1.00 0.00 S ATOM 0 H CYS A 50 8.466 -2.814 4.986 1.00 0.00 H new ATOM 0 HA CYS A 50 6.477 -1.879 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.333 -4.039 5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.113 -3.667 3.936 1.00 0.00 H new ATOM 0 HG CYS A 50 8.170 -4.391 2.672 1.00 0.00 H new ATOM 848 N TYR A 51 5.046 -0.664 4.617 1.00 0.00 N ATOM 849 CA TYR A 51 4.326 0.281 5.427 1.00 0.00 C ATOM 850 C TYR A 51 2.865 0.046 5.228 1.00 0.00 C ATOM 851 O TYR A 51 2.467 -0.556 4.220 1.00 0.00 O ATOM 852 CB TYR A 51 4.630 1.727 4.995 1.00 0.00 C ATOM 853 CG TYR A 51 6.072 2.156 5.080 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.006 1.750 4.141 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.493 2.973 6.096 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.316 2.151 4.229 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.794 3.376 6.186 1.00 0.00 C ATOM 858 CZ TYR A 51 8.700 2.963 5.256 1.00 0.00 C ATOM 859 OH TYR A 51 10.003 3.357 5.367 1.00 0.00 O ATOM 0 H TYR A 51 4.687 -0.741 3.666 1.00 0.00 H new ATOM 0 HA TYR A 51 4.624 0.148 6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.294 1.855 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.035 2.401 5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.699 1.109 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.783 3.304 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.036 1.827 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.105 4.022 6.994 1.00 0.00 H new ATOM 0 HH TYR A 51 10.105 3.933 6.153 1.00 0.00 H new ATOM 869 N LYS A 52 2.066 0.501 6.153 1.00 0.00 N ATOM 870 CA LYS A 52 0.646 0.367 6.018 1.00 0.00 C ATOM 871 C LYS A 52 -0.032 1.680 6.370 1.00 0.00 C ATOM 872 O LYS A 52 0.399 2.387 7.293 1.00 0.00 O ATOM 873 CB LYS A 52 0.074 -0.805 6.886 1.00 0.00 C ATOM 874 CG LYS A 52 -0.159 -0.531 8.395 1.00 0.00 C ATOM 875 CD LYS A 52 1.099 -0.110 9.149 1.00 0.00 C ATOM 876 CE LYS A 52 0.816 0.104 10.629 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.243 1.113 10.873 1.00 0.00 N ATOM 0 H LYS A 52 2.375 0.967 7.006 1.00 0.00 H new ATOM 0 HA LYS A 52 0.434 0.119 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.876 -1.114 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.755 -1.651 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.912 0.250 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.565 -1.430 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.868 -0.874 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.494 0.809 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.518 -0.844 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.733 0.419 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.254 1.367 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.051 1.962 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.167 0.718 10.605 1.00 0.00 H new ATOM 891 N ILE A 53 -1.042 2.022 5.634 1.00 0.00 N ATOM 892 CA ILE A 53 -1.852 3.177 5.942 1.00 0.00 C ATOM 893 C ILE A 53 -3.249 2.672 6.165 1.00 0.00 C ATOM 894 O ILE A 53 -3.663 1.703 5.528 1.00 0.00 O ATOM 895 CB ILE A 53 -1.867 4.259 4.811 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.436 4.691 4.462 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.695 5.488 5.259 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.354 5.716 3.349 1.00 0.00 C ATOM 0 H ILE A 53 -1.335 1.513 4.800 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.431 3.672 6.817 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.327 3.825 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.036 5.101 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.138 3.810 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.698 6.234 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.719 5.179 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.252 5.917 6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.690 5.968 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.795 5.304 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.898 6.614 3.641 1.00 0.00 H new ATOM 910 N LYS A 54 -3.944 3.265 7.074 1.00 0.00 N ATOM 911 CA LYS A 54 -5.275 2.860 7.367 1.00 0.00 C ATOM 912 C LYS A 54 -6.238 4.024 7.310 1.00 0.00 C ATOM 913 O LYS A 54 -5.895 5.152 7.687 1.00 0.00 O ATOM 914 CB LYS A 54 -5.338 2.076 8.707 1.00 0.00 C ATOM 915 CG LYS A 54 -4.465 2.624 9.863 1.00 0.00 C ATOM 916 CD LYS A 54 -4.892 3.996 10.384 1.00 0.00 C ATOM 917 CE LYS A 54 -6.242 3.962 11.093 1.00 0.00 C ATOM 918 NZ LYS A 54 -6.210 3.128 12.317 1.00 0.00 N ATOM 0 H LYS A 54 -3.605 4.046 7.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.600 2.169 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.375 2.054 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.043 1.045 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.489 1.912 10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.431 2.684 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.134 4.371 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.941 4.697 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.539 4.978 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.999 3.575 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.082 3.280 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.138 2.125 12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.388 3.393 12.896 1.00 0.00 H new ATOM 932 N LEU A 55 -7.397 3.774 6.775 1.00 0.00 N ATOM 933 CA LEU A 55 -8.438 4.742 6.744 1.00 0.00 C ATOM 934 C LEU A 55 -9.203 4.681 8.018 1.00 0.00 C ATOM 935 O LEU A 55 -9.847 3.674 8.306 1.00 0.00 O ATOM 936 CB LEU A 55 -9.411 4.506 5.592 1.00 0.00 C ATOM 937 CG LEU A 55 -8.945 4.832 4.186 1.00 0.00 C ATOM 938 CD1 LEU A 55 -10.074 4.590 3.209 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.458 6.269 4.104 1.00 0.00 C ATOM 0 H LEU A 55 -7.642 2.882 6.345 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.971 5.717 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.703 3.456 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.310 5.090 5.789 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.109 4.182 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.738 4.825 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.378 3.544 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.921 5.226 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.128 6.484 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.270 6.944 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.626 6.411 4.793 1.00 0.00 H new ATOM 951 N ARG A 56 -9.148 5.741 8.767 1.00 0.00 N ATOM 952 CA ARG A 56 -9.903 5.861 10.000 1.00 0.00 C ATOM 953 C ARG A 56 -11.391 5.892 9.649 1.00 0.00 C ATOM 954 O ARG A 56 -12.239 5.434 10.402 1.00 0.00 O ATOM 955 CB ARG A 56 -9.515 7.160 10.695 1.00 0.00 C ATOM 956 CG ARG A 56 -10.187 7.398 12.033 1.00 0.00 C ATOM 957 CD ARG A 56 -9.896 8.800 12.520 1.00 0.00 C ATOM 958 NE ARG A 56 -10.455 9.806 11.609 1.00 0.00 N ATOM 959 CZ ARG A 56 -9.849 10.939 11.230 1.00 0.00 C ATOM 960 NH1 ARG A 56 -8.586 11.193 11.593 1.00 0.00 N ATOM 961 NH2 ARG A 56 -10.500 11.797 10.465 1.00 0.00 N ATOM 0 H ARG A 56 -8.578 6.558 8.548 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.693 5.021 10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.435 7.167 10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.752 7.993 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.263 7.254 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.831 6.670 12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.315 8.936 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.819 8.942 12.605 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.386 9.627 11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.074 10.520 12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.135 12.059 11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.455 11.594 10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.048 12.663 10.171 1.00 0.00 H new ATOM 975 N SER A 57 -11.664 6.422 8.487 1.00 0.00 N ATOM 976 CA SER A 57 -12.979 6.573 7.962 1.00 0.00 C ATOM 977 C SER A 57 -13.642 5.205 7.659 1.00 0.00 C ATOM 978 O SER A 57 -14.619 4.808 8.312 1.00 0.00 O ATOM 979 CB SER A 57 -12.831 7.374 6.686 1.00 0.00 C ATOM 980 OG SER A 57 -11.803 8.343 6.862 1.00 0.00 O ATOM 0 H SER A 57 -10.940 6.773 7.860 1.00 0.00 H new ATOM 0 HA SER A 57 -13.622 7.071 8.688 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.587 6.714 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.772 7.865 6.439 1.00 0.00 H new ATOM 0 HG SER A 57 -11.701 8.864 6.039 1.00 0.00 H new ATOM 986 N SER A 58 -13.078 4.483 6.706 1.00 0.00 N ATOM 987 CA SER A 58 -13.669 3.257 6.213 1.00 0.00 C ATOM 988 C SER A 58 -13.211 2.003 6.980 1.00 0.00 C ATOM 989 O SER A 58 -13.899 0.986 6.964 1.00 0.00 O ATOM 990 CB SER A 58 -13.325 3.133 4.739 1.00 0.00 C ATOM 991 OG SER A 58 -13.589 4.359 4.071 1.00 0.00 O ATOM 0 H SER A 58 -12.198 4.732 6.254 1.00 0.00 H new ATOM 0 HA SER A 58 -14.747 3.314 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.274 2.866 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.909 2.331 4.288 1.00 0.00 H new ATOM 0 HG SER A 58 -13.217 4.324 3.165 1.00 0.00 H new ATOM 997 N GLY A 59 -12.064 2.073 7.636 1.00 0.00 N ATOM 998 CA GLY A 59 -11.556 0.911 8.349 1.00 0.00 C ATOM 999 C GLY A 59 -10.730 0.003 7.451 1.00 0.00 C ATOM 1000 O GLY A 59 -10.440 -1.149 7.804 1.00 0.00 O ATOM 0 H GLY A 59 -11.476 2.905 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.946 1.241 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.392 0.347 8.763 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.348 0.522 6.301 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.560 -0.224 5.333 1.00 0.00 C ATOM 1006 C TYR A 60 -8.101 0.098 5.486 1.00 0.00 C ATOM 1007 O TYR A 60 -7.742 1.231 5.814 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.028 0.054 3.898 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.320 -0.639 3.528 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.532 -0.240 4.066 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.321 -1.708 2.644 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.704 -0.880 3.737 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.489 -2.358 2.311 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.677 -1.938 2.859 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.849 -2.588 2.538 1.00 0.00 O ATOM 0 H TYR A 60 -10.574 1.473 6.009 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.706 -1.286 5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.154 1.129 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.248 -0.260 3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.557 0.590 4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.389 -2.037 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.640 -0.554 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.471 -3.191 1.624 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.659 -3.311 1.905 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.271 -0.886 5.273 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.855 -0.754 5.435 1.00 0.00 C ATOM 1027 C ARG A 61 -5.170 -1.103 4.122 1.00 0.00 C ATOM 1028 O ARG A 61 -5.658 -1.941 3.360 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.393 -1.701 6.533 1.00 0.00 C ATOM 1030 CG ARG A 61 -6.240 -1.614 7.794 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.743 -2.553 8.845 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.628 -2.599 10.017 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.320 -3.151 11.202 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -5.083 -3.573 11.447 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.244 -3.242 12.148 1.00 0.00 N ATOM 0 H ARG A 61 -7.568 -1.816 4.977 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.600 0.269 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.418 -2.724 6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.356 -1.478 6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.223 -0.594 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.278 -1.848 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.653 -3.553 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.745 -2.248 9.158 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.552 -2.177 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.361 -3.478 10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.856 -3.991 12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.187 -2.893 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.012 -3.661 13.049 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.071 -0.467 3.854 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.326 -0.691 2.640 1.00 0.00 C ATOM 1051 C LEU A 62 -1.856 -0.897 2.996 1.00 0.00 C ATOM 1052 O LEU A 62 -1.312 -0.150 3.801 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.557 0.521 1.695 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.936 0.491 0.284 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.627 1.509 -0.599 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.461 0.822 0.334 1.00 0.00 C ATOM 0 H LEU A 62 -3.657 0.230 4.473 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.659 -1.587 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.633 0.649 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.183 1.411 2.202 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.064 -0.514 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.186 1.485 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.689 1.271 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.505 2.504 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.047 0.794 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.326 1.819 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.945 0.092 0.958 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.235 -1.910 2.403 1.00 0.00 N ATOM 1069 CA VAL A 63 0.158 -2.266 2.676 1.00 0.00 C ATOM 1070 C VAL A 63 0.997 -2.155 1.393 1.00 0.00 C ATOM 1071 O VAL A 63 0.646 -2.729 0.341 1.00 0.00 O ATOM 1072 CB VAL A 63 0.272 -3.719 3.241 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.725 -4.104 3.495 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.543 -3.870 4.520 1.00 0.00 C ATOM 0 H VAL A 63 -1.684 -2.513 1.714 1.00 0.00 H new ATOM 0 HA VAL A 63 0.536 -1.569 3.424 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.132 -4.395 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.769 -5.120 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.284 -4.051 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.162 -3.416 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.448 -4.889 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.174 -3.172 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.591 -3.657 4.311 1.00 0.00 H new ATOM 1084 N TYR A 64 2.092 -1.445 1.481 1.00 0.00 N ATOM 1085 CA TYR A 64 2.965 -1.232 0.346 1.00 0.00 C ATOM 1086 C TYR A 64 4.420 -1.334 0.754 1.00 0.00 C ATOM 1087 O TYR A 64 4.738 -1.195 1.933 1.00 0.00 O ATOM 1088 CB TYR A 64 2.691 0.136 -0.318 1.00 0.00 C ATOM 1089 CG TYR A 64 2.812 1.362 0.583 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.038 1.782 1.088 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.699 2.106 0.903 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.138 2.895 1.880 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.790 3.222 1.695 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.015 3.613 2.183 1.00 0.00 C ATOM 1095 OH TYR A 64 3.115 4.720 2.982 1.00 0.00 O ATOM 0 H TYR A 64 2.408 -0.996 2.341 1.00 0.00 H new ATOM 0 HA TYR A 64 2.754 -2.015 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.382 0.255 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.685 0.117 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.929 1.219 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.734 1.805 0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.099 3.204 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.904 3.791 1.934 1.00 0.00 H new ATOM 0 HH TYR A 64 3.996 5.132 2.862 1.00 0.00 H new ATOM 1105 N GLN A 65 5.282 -1.589 -0.199 1.00 0.00 N ATOM 1106 CA GLN A 65 6.704 -1.587 0.047 1.00 0.00 C ATOM 1107 C GLN A 65 7.319 -0.408 -0.693 1.00 0.00 C ATOM 1108 O GLN A 65 6.927 -0.097 -1.825 1.00 0.00 O ATOM 1109 CB GLN A 65 7.379 -2.915 -0.365 1.00 0.00 C ATOM 1110 CG GLN A 65 7.336 -3.238 -1.857 1.00 0.00 C ATOM 1111 CD GLN A 65 8.062 -4.526 -2.197 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.479 -5.608 -2.214 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.342 -4.432 -2.451 1.00 0.00 N ATOM 0 H GLN A 65 5.021 -1.803 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 65 6.872 -1.487 1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.421 -2.887 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.901 -3.730 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.297 -3.315 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.782 -2.415 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.801 -3.521 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.881 -5.270 -2.670 1.00 0.00 H new ATOM 1122 N VAL A 66 8.215 0.277 -0.059 1.00 0.00 N ATOM 1123 CA VAL A 66 8.855 1.412 -0.679 1.00 0.00 C ATOM 1124 C VAL A 66 10.183 0.994 -1.269 1.00 0.00 C ATOM 1125 O VAL A 66 11.112 0.624 -0.543 1.00 0.00 O ATOM 1126 CB VAL A 66 9.069 2.585 0.314 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.773 3.764 -0.364 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.743 3.036 0.895 1.00 0.00 C ATOM 0 H VAL A 66 8.527 0.077 0.891 1.00 0.00 H new ATOM 0 HA VAL A 66 8.191 1.768 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 66 9.707 2.226 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.909 4.570 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.746 3.442 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.166 4.120 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.911 3.859 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.087 3.368 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.276 2.205 1.424 1.00 0.00 H new ATOM 1138 N ILE A 67 10.277 1.023 -2.567 1.00 0.00 N ATOM 1139 CA ILE A 67 11.503 0.696 -3.213 1.00 0.00 C ATOM 1140 C ILE A 67 12.213 2.005 -3.479 1.00 0.00 C ATOM 1141 O ILE A 67 11.941 2.682 -4.482 1.00 0.00 O ATOM 1142 CB ILE A 67 11.278 -0.037 -4.562 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.251 -1.171 -4.399 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.609 -0.601 -5.066 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.869 -1.851 -5.700 1.00 0.00 C ATOM 0 H ILE A 67 9.513 1.271 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 67 12.081 0.026 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 67 10.888 0.675 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.656 -1.918 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.351 -0.768 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.451 -1.116 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.318 0.214 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.007 -1.303 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.142 -2.638 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.433 -1.118 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.757 -2.286 -6.158 1.00 0.00 H new ATOM 1157 N ASP A 68 13.098 2.379 -2.584 1.00 0.00 N ATOM 1158 CA ASP A 68 13.802 3.648 -2.670 1.00 0.00 C ATOM 1159 C ASP A 68 14.765 3.646 -3.836 1.00 0.00 C ATOM 1160 O ASP A 68 15.052 4.683 -4.422 1.00 0.00 O ATOM 1161 CB ASP A 68 14.551 3.936 -1.367 1.00 0.00 C ATOM 1162 CG ASP A 68 15.694 2.975 -1.095 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.443 1.847 -0.641 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.858 3.347 -1.314 1.00 0.00 O ATOM 0 H ASP A 68 13.354 1.815 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 68 13.065 4.435 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.943 4.953 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.847 3.893 -0.536 1.00 0.00 H new ATOM 1169 N GLU A 69 15.206 2.465 -4.188 1.00 0.00 N ATOM 1170 CA GLU A 69 16.138 2.238 -5.278 1.00 0.00 C ATOM 1171 C GLU A 69 15.500 2.556 -6.636 1.00 0.00 C ATOM 1172 O GLU A 69 16.178 2.959 -7.574 1.00 0.00 O ATOM 1173 CB GLU A 69 16.581 0.791 -5.225 1.00 0.00 C ATOM 1174 CG GLU A 69 17.260 0.425 -3.918 1.00 0.00 C ATOM 1175 CD GLU A 69 17.462 -1.050 -3.764 1.00 0.00 C ATOM 1176 OE1 GLU A 69 18.416 -1.603 -4.341 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.648 -1.700 -3.056 1.00 0.00 O ATOM 0 H GLU A 69 14.922 1.607 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 69 16.996 2.901 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.714 0.146 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.266 0.596 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.226 0.927 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.660 0.794 -3.086 1.00 0.00 H new ATOM 1184 N LYS A 70 14.198 2.370 -6.734 1.00 0.00 N ATOM 1185 CA LYS A 70 13.478 2.660 -7.968 1.00 0.00 C ATOM 1186 C LYS A 70 12.675 3.946 -7.820 1.00 0.00 C ATOM 1187 O LYS A 70 12.072 4.430 -8.779 1.00 0.00 O ATOM 1188 CB LYS A 70 12.534 1.514 -8.335 1.00 0.00 C ATOM 1189 CG LYS A 70 13.200 0.197 -8.688 1.00 0.00 C ATOM 1190 CD LYS A 70 12.145 -0.847 -9.037 1.00 0.00 C ATOM 1191 CE LYS A 70 12.750 -2.202 -9.379 1.00 0.00 C ATOM 1192 NZ LYS A 70 13.663 -2.144 -10.548 1.00 0.00 N ATOM 0 H LYS A 70 13.613 2.019 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 70 14.214 2.778 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.857 1.344 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.923 1.829 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.877 0.337 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.803 -0.151 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.461 -0.961 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.555 -0.493 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.297 -2.580 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.949 -2.912 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.939 -3.109 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.178 -1.684 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.512 -1.598 -10.298 1.00 0.00 H new ATOM 1206 N VAL A 71 12.666 4.484 -6.594 1.00 0.00 N ATOM 1207 CA VAL A 71 11.934 5.713 -6.244 1.00 0.00 C ATOM 1208 C VAL A 71 10.405 5.461 -6.412 1.00 0.00 C ATOM 1209 O VAL A 71 9.607 6.366 -6.636 1.00 0.00 O ATOM 1210 CB VAL A 71 12.439 6.954 -7.104 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.824 8.279 -6.641 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.964 7.056 -7.064 1.00 0.00 C ATOM 0 H VAL A 71 13.171 4.076 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 71 12.130 5.968 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 71 12.110 6.775 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.202 9.092 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.739 8.228 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.093 8.461 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.287 7.911 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.293 7.186 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.400 6.144 -7.472 1.00 0.00 H new ATOM 1222 N VAL A 72 9.998 4.226 -6.221 1.00 0.00 N ATOM 1223 CA VAL A 72 8.608 3.882 -6.392 1.00 0.00 C ATOM 1224 C VAL A 72 8.086 3.088 -5.200 1.00 0.00 C ATOM 1225 O VAL A 72 8.788 2.251 -4.617 1.00 0.00 O ATOM 1226 CB VAL A 72 8.328 3.126 -7.745 1.00 0.00 C ATOM 1227 CG1 VAL A 72 8.995 1.772 -7.797 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.832 3.003 -8.036 1.00 0.00 C ATOM 0 H VAL A 72 10.604 3.452 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 72 8.060 4.823 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 72 8.772 3.740 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.771 1.292 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.074 1.894 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.623 1.151 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.687 2.475 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.349 2.448 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.392 3.998 -8.106 1.00 0.00 H new ATOM 1238 N VAL A 73 6.903 3.414 -4.817 1.00 0.00 N ATOM 1239 CA VAL A 73 6.191 2.767 -3.779 1.00 0.00 C ATOM 1240 C VAL A 73 5.266 1.747 -4.433 1.00 0.00 C ATOM 1241 O VAL A 73 4.426 2.094 -5.278 1.00 0.00 O ATOM 1242 CB VAL A 73 5.375 3.803 -2.975 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.598 3.142 -1.875 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.288 4.882 -2.405 1.00 0.00 C ATOM 0 H VAL A 73 6.381 4.179 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 73 6.872 2.272 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 73 4.666 4.272 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.033 3.895 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.910 2.413 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.286 2.637 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.693 5.602 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.024 4.424 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.800 5.393 -3.220 1.00 0.00 H new ATOM 1254 N PHE A 74 5.440 0.519 -4.076 1.00 0.00 N ATOM 1255 CA PHE A 74 4.739 -0.570 -4.692 1.00 0.00 C ATOM 1256 C PHE A 74 3.712 -1.141 -3.719 1.00 0.00 C ATOM 1257 O PHE A 74 4.076 -1.723 -2.694 1.00 0.00 O ATOM 1258 CB PHE A 74 5.783 -1.623 -5.095 1.00 0.00 C ATOM 1259 CG PHE A 74 5.275 -2.800 -5.871 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.938 -2.670 -7.208 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.177 -4.046 -5.275 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.510 -3.757 -7.935 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.745 -5.139 -5.997 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.414 -4.993 -7.331 1.00 0.00 C ATOM 0 H PHE A 74 6.082 0.233 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 74 4.195 -0.240 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.555 -1.130 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.263 -1.992 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.012 -1.704 -7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.441 -4.163 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.250 -3.642 -8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.666 -6.106 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.080 -5.848 -7.901 1.00 0.00 H new ATOM 1274 N VAL A 75 2.446 -0.935 -4.014 1.00 0.00 N ATOM 1275 CA VAL A 75 1.362 -1.440 -3.178 1.00 0.00 C ATOM 1276 C VAL A 75 1.202 -2.919 -3.428 1.00 0.00 C ATOM 1277 O VAL A 75 0.960 -3.320 -4.556 1.00 0.00 O ATOM 1278 CB VAL A 75 0.018 -0.714 -3.473 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.110 -1.259 -2.602 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.165 0.789 -3.279 1.00 0.00 C ATOM 0 H VAL A 75 2.133 -0.416 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 75 1.617 -1.252 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.241 -0.906 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.035 -0.731 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.241 -2.323 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.861 -1.113 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.786 1.278 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.459 0.996 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.928 1.171 -3.958 1.00 0.00 H new ATOM 1290 N ILE A 76 1.331 -3.714 -2.383 1.00 0.00 N ATOM 1291 CA ILE A 76 1.277 -5.162 -2.524 1.00 0.00 C ATOM 1292 C ILE A 76 -0.115 -5.670 -2.172 1.00 0.00 C ATOM 1293 O ILE A 76 -0.670 -6.542 -2.839 1.00 0.00 O ATOM 1294 CB ILE A 76 2.286 -5.861 -1.570 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.675 -5.222 -1.670 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.376 -7.358 -1.901 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.663 -5.764 -0.655 1.00 0.00 C ATOM 0 H ILE A 76 1.474 -3.386 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 76 1.527 -5.394 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 76 1.925 -5.738 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.070 -5.385 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.581 -4.144 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.086 -7.838 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.395 -7.817 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.712 -7.483 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.625 -5.268 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.289 -5.578 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.786 -6.837 -0.804 1.00 0.00 H new ATOM 1309 N SER A 77 -0.683 -5.128 -1.124 1.00 0.00 N ATOM 1310 CA SER A 77 -1.959 -5.591 -0.647 1.00 0.00 C ATOM 1311 C SER A 77 -2.791 -4.422 -0.157 1.00 0.00 C ATOM 1312 O SER A 77 -2.252 -3.433 0.329 1.00 0.00 O ATOM 1313 CB SER A 77 -1.743 -6.605 0.481 1.00 0.00 C ATOM 1314 OG SER A 77 -0.912 -7.667 0.036 1.00 0.00 O ATOM 0 H SER A 77 -0.279 -4.363 -0.584 1.00 0.00 H new ATOM 0 HA SER A 77 -2.496 -6.074 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.287 -6.112 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.703 -7.000 0.813 1.00 0.00 H new ATOM 0 HG SER A 77 -0.521 -8.123 0.810 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.077 -4.523 -0.315 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.984 -3.499 0.109 1.00 0.00 C ATOM 1322 C VAL A 78 -6.302 -4.150 0.503 1.00 0.00 C ATOM 1323 O VAL A 78 -6.689 -5.158 -0.088 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.188 -2.421 -1.018 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.727 -3.027 -2.300 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.078 -1.292 -0.553 1.00 0.00 C ATOM 0 H VAL A 78 -4.531 -5.328 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.570 -2.976 0.971 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.201 -2.012 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.851 -2.244 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.027 -3.776 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.691 -3.497 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.196 -0.567 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.055 -1.689 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.626 -0.805 0.311 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.928 -3.649 1.535 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.206 -4.158 1.917 1.00 0.00 C ATOM 1338 C GLY A 79 -8.446 -4.043 3.391 1.00 0.00 C ATOM 1339 O GLY A 79 -8.488 -2.940 3.935 1.00 0.00 O ATOM 0 H GLY A 79 -6.571 -2.893 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.985 -3.616 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.282 -5.204 1.619 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.567 -5.153 4.053 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.895 -5.160 5.452 1.00 0.00 C ATOM 1345 C LYS A 80 -8.060 -6.171 6.185 1.00 0.00 C ATOM 1346 O LYS A 80 -7.652 -7.185 5.630 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.387 -5.476 5.658 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.333 -4.430 5.081 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.792 -4.845 5.178 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.248 -5.015 6.616 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.667 -5.426 6.701 1.00 0.00 N ATOM 0 H LYS A 80 -8.442 -6.079 3.643 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.684 -4.168 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.609 -6.441 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.582 -5.576 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.191 -3.487 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.078 -4.252 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.414 -4.096 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.938 -5.782 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.624 -5.761 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.109 -4.077 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.939 -5.531 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.265 -4.703 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.796 -6.334 6.210 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.790 -5.892 7.416 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.081 -6.804 8.229 1.00 0.00 C ATOM 1367 C ALA A 81 -8.040 -7.407 9.214 1.00 0.00 C ATOM 1368 O ALA A 81 -8.313 -6.830 10.279 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.911 -6.139 8.927 1.00 0.00 C ATOM 0 H ALA A 81 -8.057 -5.024 7.881 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.656 -7.591 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.390 -6.872 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.224 -5.737 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.276 -5.329 9.558 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.779 -8.957 4.950 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.864 -7.941 4.428 1.00 0.00 C ATOM 1428 C VAL A 86 -1.388 -8.335 4.616 1.00 0.00 C ATOM 1429 O VAL A 86 -0.515 -7.813 3.948 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.125 -6.534 5.039 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.508 -6.028 4.652 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.968 -6.549 6.559 1.00 0.00 C ATOM 0 HA VAL A 86 -3.068 -7.885 3.359 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.378 -5.853 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.671 -5.043 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.580 -5.959 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.265 -6.719 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.157 -5.551 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.681 -7.251 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.954 -6.855 6.817 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.129 -9.256 5.527 1.00 0.00 N ATOM 1443 CA TYR A 87 0.215 -9.739 5.739 1.00 0.00 C ATOM 1444 C TYR A 87 0.466 -10.952 4.879 1.00 0.00 C ATOM 1445 O TYR A 87 1.519 -11.077 4.298 1.00 0.00 O ATOM 1446 CB TYR A 87 0.479 -10.100 7.197 1.00 0.00 C ATOM 1447 CG TYR A 87 0.496 -8.940 8.158 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.638 -8.169 8.312 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -0.608 -8.634 8.935 1.00 0.00 C ATOM 1450 CE1 TYR A 87 1.678 -7.124 9.206 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -0.576 -7.594 9.839 1.00 0.00 C ATOM 1452 CZ TYR A 87 0.571 -6.841 9.972 1.00 0.00 C ATOM 1453 OH TYR A 87 0.613 -5.815 10.895 1.00 0.00 O ATOM 0 H TYR A 87 -1.834 -9.681 6.129 1.00 0.00 H new ATOM 0 HA TYR A 87 0.892 -8.930 5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.284 -10.808 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.438 -10.614 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.512 -8.393 7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.509 -9.220 8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.574 -6.529 9.306 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.445 -7.370 10.440 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.252 -5.749 11.350 1.00 0.00 H new ATOM 1463 N SER A 88 -0.530 -11.825 4.794 1.00 0.00 N ATOM 1464 CA SER A 88 -0.439 -13.072 4.047 1.00 0.00 C ATOM 1465 C SER A 88 -0.080 -12.835 2.581 1.00 0.00 C ATOM 1466 O SER A 88 0.892 -13.403 2.072 1.00 0.00 O ATOM 1467 CB SER A 88 -1.767 -13.812 4.153 1.00 0.00 C ATOM 1468 OG SER A 88 -2.107 -14.028 5.518 1.00 0.00 O ATOM 0 H SER A 88 -1.433 -11.685 5.247 1.00 0.00 H new ATOM 0 HA SER A 88 0.361 -13.674 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.552 -13.236 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.701 -14.767 3.633 1.00 0.00 H new ATOM 0 HG SER A 88 -2.963 -14.503 5.571 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.821 -11.952 1.938 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.609 -11.655 0.533 1.00 0.00 C ATOM 1476 C GLU A 89 0.740 -10.982 0.306 1.00 0.00 C ATOM 1477 O GLU A 89 1.363 -11.141 -0.748 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.744 -10.785 0.005 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.100 -11.464 0.033 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.117 -12.705 -0.817 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.958 -12.593 -2.040 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.265 -13.831 -0.280 1.00 0.00 O ATOM 0 H GLU A 89 -1.580 -11.425 2.370 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.602 -12.596 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.794 -9.871 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.517 -10.490 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.357 -11.723 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.862 -10.770 -0.321 1.00 0.00 H new ATOM 1489 N ALA A 90 1.198 -10.267 1.306 1.00 0.00 N ATOM 1490 CA ALA A 90 2.450 -9.567 1.222 1.00 0.00 C ATOM 1491 C ALA A 90 3.622 -10.508 1.478 1.00 0.00 C ATOM 1492 O ALA A 90 4.569 -10.551 0.700 1.00 0.00 O ATOM 1493 CB ALA A 90 2.474 -8.392 2.190 1.00 0.00 C ATOM 0 H ALA A 90 0.713 -10.157 2.196 1.00 0.00 H new ATOM 0 HA ALA A 90 2.552 -9.176 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.430 -7.875 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.667 -7.702 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.342 -8.757 3.209 1.00 0.00 H new