USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 570 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 8 TYR OH : rot -16:sc= -6.72! USER MOD Set 1.2: A 76 TYR OH : rot 174:sc= -3.09! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.037) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.296 (180deg=-1.46!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-9!) USER MOD Single : A 31 THR OG1 : rot -176:sc= -2.25! USER MOD Single : A 33 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.8) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.56 F(o=-3.5!,f=-1.6) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -5.74! C(o=-5.7!,f=-9.9!) USER MOD Single : A 62 THR OG1 : rot -112:sc= -0.425 USER MOD Single : A 63 THR OG1 : rot -23:sc= 1.04 USER MOD Single : A 72 THR OG1 : rot 180:sc= -2.06 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 2.413 -18.873 -9.624 1.00 0.00 N ATOM 2 CA GLU A 4 3.655 -19.092 -8.830 1.00 0.00 C ATOM 3 C GLU A 4 4.744 -18.135 -9.318 1.00 0.00 C ATOM 4 O GLU A 4 5.076 -18.101 -10.487 1.00 0.00 O ATOM 5 CB GLU A 4 4.126 -20.536 -9.009 1.00 0.00 C ATOM 6 CG GLU A 4 3.135 -21.482 -8.329 1.00 0.00 C ATOM 7 CD GLU A 4 3.884 -22.704 -7.793 1.00 0.00 C ATOM 8 OE1 GLU A 4 5.103 -22.693 -7.837 1.00 0.00 O ATOM 9 OE2 GLU A 4 3.226 -23.630 -7.348 1.00 0.00 O ATOM 0 HA GLU A 4 3.452 -18.905 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.205 -20.775 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.120 -20.662 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.625 -20.968 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.368 -21.794 -9.038 1.00 0.00 H new ATOM 18 N GLY A 5 5.305 -17.358 -8.432 1.00 0.00 N ATOM 19 CA GLY A 5 6.372 -16.405 -8.848 1.00 0.00 C ATOM 20 C GLY A 5 7.139 -15.920 -7.617 1.00 0.00 C ATOM 21 O GLY A 5 7.083 -16.516 -6.560 1.00 0.00 O ATOM 0 H GLY A 5 5.071 -17.342 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.055 -16.890 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.931 -15.557 -9.371 1.00 0.00 H new ATOM 25 N TYR A 6 7.840 -14.831 -7.745 1.00 0.00 N ATOM 26 CA TYR A 6 8.617 -14.288 -6.594 1.00 0.00 C ATOM 27 C TYR A 6 7.671 -13.564 -5.641 1.00 0.00 C ATOM 28 O TYR A 6 7.114 -12.540 -5.974 1.00 0.00 O ATOM 29 CB TYR A 6 9.628 -13.278 -7.116 1.00 0.00 C ATOM 30 CG TYR A 6 10.716 -13.989 -7.919 1.00 0.00 C ATOM 31 CD1 TYR A 6 11.343 -15.109 -7.419 1.00 0.00 C ATOM 32 CD2 TYR A 6 11.075 -13.522 -9.167 1.00 0.00 C ATOM 33 CE1 TYR A 6 12.312 -15.757 -8.155 1.00 0.00 C ATOM 34 CE2 TYR A 6 12.042 -14.169 -9.905 1.00 0.00 C ATOM 35 CZ TYR A 6 12.669 -15.291 -9.405 1.00 0.00 C ATOM 36 OH TYR A 6 13.641 -15.938 -10.143 1.00 0.00 O ATOM 0 H TYR A 6 7.910 -14.287 -8.605 1.00 0.00 H new ATOM 0 HA TYR A 6 9.120 -15.105 -6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.126 -12.541 -7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.076 -12.736 -6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.073 -15.483 -6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.594 -12.642 -9.568 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.795 -16.635 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 6 12.311 -13.795 -10.882 1.00 0.00 H new ATOM 0 HH TYR A 6 13.765 -15.475 -10.998 1.00 0.00 H new ATOM 46 N GLN A 7 7.492 -14.073 -4.458 1.00 0.00 N ATOM 47 CA GLN A 7 6.577 -13.397 -3.497 1.00 0.00 C ATOM 48 C GLN A 7 7.396 -12.761 -2.375 1.00 0.00 C ATOM 49 O GLN A 7 8.169 -13.421 -1.710 1.00 0.00 O ATOM 50 CB GLN A 7 5.610 -14.424 -2.907 1.00 0.00 C ATOM 51 CG GLN A 7 4.935 -15.198 -4.041 1.00 0.00 C ATOM 52 CD GLN A 7 4.427 -16.541 -3.513 1.00 0.00 C ATOM 53 OE1 GLN A 7 3.265 -16.864 -3.662 1.00 0.00 O ATOM 54 NE2 GLN A 7 5.253 -17.342 -2.897 1.00 0.00 N ATOM 0 H GLN A 7 7.936 -14.924 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 7 6.011 -12.623 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.147 -15.111 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.859 -13.923 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.106 -14.618 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.641 -15.359 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.228 -17.071 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.923 -18.239 -2.541 1.00 0.00 H new ATOM 63 N TYR A 8 7.250 -11.481 -2.162 1.00 0.00 N ATOM 64 CA TYR A 8 8.029 -10.829 -1.075 1.00 0.00 C ATOM 65 C TYR A 8 7.090 -10.539 0.092 1.00 0.00 C ATOM 66 O TYR A 8 5.909 -10.817 0.035 1.00 0.00 O ATOM 67 CB TYR A 8 8.653 -9.500 -1.535 1.00 0.00 C ATOM 68 CG TYR A 8 8.701 -9.377 -3.063 1.00 0.00 C ATOM 69 CD1 TYR A 8 8.931 -10.475 -3.872 1.00 0.00 C ATOM 70 CD2 TYR A 8 8.565 -8.135 -3.650 1.00 0.00 C ATOM 71 CE1 TYR A 8 9.025 -10.329 -5.239 1.00 0.00 C ATOM 72 CE2 TYR A 8 8.661 -7.992 -5.017 1.00 0.00 C ATOM 73 CZ TYR A 8 8.891 -9.088 -5.823 1.00 0.00 C ATOM 74 OH TYR A 8 8.984 -8.945 -7.191 1.00 0.00 O ATOM 0 H TYR A 8 6.631 -10.865 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 8 8.834 -11.504 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.078 -8.670 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.663 -9.418 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.038 -11.454 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.382 -7.268 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.205 -11.195 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.555 -7.013 -5.462 1.00 0.00 H new ATOM 0 HH TYR A 8 9.393 -9.747 -7.577 1.00 0.00 H new ATOM 84 N ARG A 9 7.600 -9.979 1.150 1.00 0.00 N ATOM 85 CA ARG A 9 6.731 -9.671 2.316 1.00 0.00 C ATOM 86 C ARG A 9 6.762 -8.165 2.569 1.00 0.00 C ATOM 87 O ARG A 9 7.812 -7.555 2.626 1.00 0.00 O ATOM 88 CB ARG A 9 7.237 -10.418 3.550 1.00 0.00 C ATOM 89 CG ARG A 9 6.183 -11.432 3.998 1.00 0.00 C ATOM 90 CD ARG A 9 6.877 -12.702 4.492 1.00 0.00 C ATOM 91 NE ARG A 9 5.955 -13.454 5.389 1.00 0.00 N ATOM 92 CZ ARG A 9 6.244 -14.675 5.752 1.00 0.00 C ATOM 93 NH1 ARG A 9 7.343 -15.243 5.331 1.00 0.00 N ATOM 94 NH2 ARG A 9 5.433 -15.330 6.538 1.00 0.00 N ATOM 0 H ARG A 9 8.581 -9.721 1.258 1.00 0.00 H new ATOM 0 HA ARG A 9 5.709 -9.988 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.173 -10.927 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.445 -9.713 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.569 -11.008 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.515 -11.668 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.166 -13.324 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.792 -12.445 5.026 1.00 0.00 H new ATOM 0 HE ARG A 9 5.096 -13.014 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.978 -14.733 4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.566 -16.197 5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.575 -14.888 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.658 -16.284 6.822 1.00 0.00 H new ATOM 108 N ALA A 10 5.623 -7.554 2.712 1.00 0.00 N ATOM 109 CA ALA A 10 5.596 -6.088 2.959 1.00 0.00 C ATOM 110 C ALA A 10 6.384 -5.760 4.227 1.00 0.00 C ATOM 111 O ALA A 10 6.109 -6.270 5.295 1.00 0.00 O ATOM 112 CB ALA A 10 4.148 -5.624 3.124 1.00 0.00 C ATOM 0 H ALA A 10 4.709 -8.005 2.669 1.00 0.00 H new ATOM 0 HA ALA A 10 6.050 -5.574 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.129 -4.549 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.588 -5.849 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.694 -6.142 3.968 1.00 0.00 H new ATOM 118 N LEU A 11 7.369 -4.917 4.108 1.00 0.00 N ATOM 119 CA LEU A 11 8.185 -4.542 5.295 1.00 0.00 C ATOM 120 C LEU A 11 7.693 -3.198 5.824 1.00 0.00 C ATOM 121 O LEU A 11 7.703 -2.942 7.011 1.00 0.00 O ATOM 122 CB LEU A 11 9.656 -4.405 4.890 1.00 0.00 C ATOM 123 CG LEU A 11 10.415 -5.680 5.252 1.00 0.00 C ATOM 124 CD1 LEU A 11 11.907 -5.479 4.981 1.00 0.00 C ATOM 125 CD2 LEU A 11 10.204 -6.002 6.733 1.00 0.00 C ATOM 0 H LEU A 11 7.646 -4.469 3.235 1.00 0.00 H new ATOM 0 HA LEU A 11 8.089 -5.311 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.732 -4.218 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.103 -3.549 5.395 1.00 0.00 H new ATOM 0 HG LEU A 11 10.043 -6.506 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.449 -6.389 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.058 -5.254 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.278 -4.651 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.747 -6.912 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.574 -5.176 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.141 -6.147 6.926 1.00 0.00 H new ATOM 137 N TYR A 12 7.261 -2.334 4.945 1.00 0.00 N ATOM 138 CA TYR A 12 6.769 -1.006 5.397 1.00 0.00 C ATOM 139 C TYR A 12 5.332 -0.790 4.913 1.00 0.00 C ATOM 140 O TYR A 12 4.671 -1.711 4.476 1.00 0.00 O ATOM 141 CB TYR A 12 7.682 0.077 4.831 1.00 0.00 C ATOM 142 CG TYR A 12 9.075 -0.105 5.435 1.00 0.00 C ATOM 143 CD1 TYR A 12 9.790 -1.263 5.209 1.00 0.00 C ATOM 144 CD2 TYR A 12 9.627 0.876 6.228 1.00 0.00 C ATOM 145 CE1 TYR A 12 11.037 -1.438 5.767 1.00 0.00 C ATOM 146 CE2 TYR A 12 10.876 0.703 6.787 1.00 0.00 C ATOM 147 CZ TYR A 12 11.591 -0.456 6.562 1.00 0.00 C ATOM 148 OH TYR A 12 12.840 -0.631 7.123 1.00 0.00 O ATOM 0 H TYR A 12 7.228 -2.492 3.938 1.00 0.00 H new ATOM 0 HA TYR A 12 6.779 -0.960 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.727 0.006 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.291 1.066 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.368 -2.040 4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.078 1.787 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.585 -2.350 5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.298 1.481 7.406 1.00 0.00 H new ATOM 0 HH TYR A 12 13.075 0.160 7.652 1.00 0.00 H new ATOM 158 N ASP A 13 4.842 0.418 4.991 1.00 0.00 N ATOM 159 CA ASP A 13 3.448 0.686 4.535 1.00 0.00 C ATOM 160 C ASP A 13 3.473 1.486 3.230 1.00 0.00 C ATOM 161 O ASP A 13 4.485 2.035 2.845 1.00 0.00 O ATOM 162 CB ASP A 13 2.708 1.487 5.608 1.00 0.00 C ATOM 163 CG ASP A 13 3.484 2.771 5.911 1.00 0.00 C ATOM 164 OD1 ASP A 13 4.443 3.040 5.206 1.00 0.00 O ATOM 165 OD2 ASP A 13 3.106 3.463 6.841 1.00 0.00 O ATOM 0 H ASP A 13 5.346 1.229 5.350 1.00 0.00 H new ATOM 0 HA ASP A 13 2.937 -0.262 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.702 1.729 5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.602 0.891 6.514 1.00 0.00 H new ATOM 170 N TYR A 14 2.361 1.553 2.547 1.00 0.00 N ATOM 171 CA TYR A 14 2.313 2.315 1.268 1.00 0.00 C ATOM 172 C TYR A 14 0.871 2.362 0.758 1.00 0.00 C ATOM 173 O TYR A 14 0.340 1.378 0.282 1.00 0.00 O ATOM 174 CB TYR A 14 3.198 1.621 0.231 1.00 0.00 C ATOM 175 CG TYR A 14 3.652 2.643 -0.812 1.00 0.00 C ATOM 176 CD1 TYR A 14 4.428 3.719 -0.441 1.00 0.00 C ATOM 177 CD2 TYR A 14 3.287 2.503 -2.134 1.00 0.00 C ATOM 178 CE1 TYR A 14 4.835 4.645 -1.378 1.00 0.00 C ATOM 179 CE2 TYR A 14 3.695 3.429 -3.074 1.00 0.00 C ATOM 180 CZ TYR A 14 4.471 4.507 -2.702 1.00 0.00 C ATOM 181 OH TYR A 14 4.877 5.434 -3.641 1.00 0.00 O ATOM 0 H TYR A 14 1.483 1.112 2.821 1.00 0.00 H new ATOM 0 HA TYR A 14 2.673 3.330 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.064 1.172 0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.648 0.813 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.720 3.838 0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.678 1.664 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.443 5.484 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.405 3.308 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 14 4.531 5.180 -4.522 1.00 0.00 H new ATOM 191 N LYS A 15 0.231 3.496 0.854 1.00 0.00 N ATOM 192 CA LYS A 15 -1.171 3.604 0.375 1.00 0.00 C ATOM 193 C LYS A 15 -1.181 3.863 -1.134 1.00 0.00 C ATOM 194 O LYS A 15 -2.198 4.193 -1.708 1.00 0.00 O ATOM 195 CB LYS A 15 -1.855 4.764 1.096 1.00 0.00 C ATOM 196 CG LYS A 15 -1.167 6.077 0.721 1.00 0.00 C ATOM 197 CD LYS A 15 -1.728 7.211 1.581 1.00 0.00 C ATOM 198 CE LYS A 15 -3.179 7.486 1.181 1.00 0.00 C ATOM 199 NZ LYS A 15 -3.286 7.534 -0.304 1.00 0.00 N ATOM 0 H LYS A 15 0.622 4.353 1.245 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.702 2.675 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.910 4.804 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.810 4.613 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.091 5.991 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.326 6.294 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.675 6.942 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.127 8.111 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.830 6.707 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.513 8.430 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.162 8.025 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.469 8.045 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.302 6.565 -0.682 1.00 0.00 H new ATOM 213 N LYS A 16 -0.055 3.717 -1.779 1.00 0.00 N ATOM 214 CA LYS A 16 -0.001 3.956 -3.250 1.00 0.00 C ATOM 215 C LYS A 16 -0.175 5.456 -3.525 1.00 0.00 C ATOM 216 O LYS A 16 -1.208 6.030 -3.246 1.00 0.00 O ATOM 217 CB LYS A 16 -1.104 3.124 -3.942 1.00 0.00 C ATOM 218 CG LYS A 16 -2.211 4.023 -4.514 1.00 0.00 C ATOM 219 CD LYS A 16 -3.175 3.179 -5.349 1.00 0.00 C ATOM 220 CE LYS A 16 -4.433 2.882 -4.530 1.00 0.00 C ATOM 221 NZ LYS A 16 -5.560 3.716 -5.032 1.00 0.00 N ATOM 0 H LYS A 16 0.829 3.443 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 16 0.963 3.645 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.665 2.531 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.536 2.424 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.750 4.514 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.774 4.810 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.440 3.709 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.694 2.248 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.687 1.825 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.252 3.093 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.415 3.515 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.315 4.723 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.737 3.494 -6.032 1.00 0.00 H new ATOM 235 N GLU A 17 0.827 6.090 -4.066 1.00 0.00 N ATOM 236 CA GLU A 17 0.713 7.546 -4.355 1.00 0.00 C ATOM 237 C GLU A 17 0.171 7.739 -5.773 1.00 0.00 C ATOM 238 O GLU A 17 -0.905 8.267 -5.970 1.00 0.00 O ATOM 239 CB GLU A 17 2.091 8.201 -4.240 1.00 0.00 C ATOM 240 CG GLU A 17 2.092 9.177 -3.063 1.00 0.00 C ATOM 241 CD GLU A 17 1.171 10.357 -3.379 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.053 10.114 -3.803 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.601 11.484 -3.193 1.00 0.00 O ATOM 0 H GLU A 17 1.718 5.664 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 17 0.034 8.008 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.857 7.439 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.334 8.727 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.756 8.672 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.105 9.533 -2.873 1.00 0.00 H new ATOM 250 N ARG A 18 0.909 7.315 -6.762 1.00 0.00 N ATOM 251 CA ARG A 18 0.435 7.475 -8.165 1.00 0.00 C ATOM 252 C ARG A 18 -0.368 6.238 -8.572 1.00 0.00 C ATOM 253 O ARG A 18 -0.284 5.198 -7.950 1.00 0.00 O ATOM 254 CB ARG A 18 1.638 7.633 -9.095 1.00 0.00 C ATOM 255 CG ARG A 18 2.018 9.113 -9.189 1.00 0.00 C ATOM 256 CD ARG A 18 3.534 9.261 -9.050 1.00 0.00 C ATOM 257 NE ARG A 18 4.044 10.164 -10.120 1.00 0.00 N ATOM 258 CZ ARG A 18 5.276 10.597 -10.082 1.00 0.00 C ATOM 259 NH1 ARG A 18 6.068 10.241 -9.106 1.00 0.00 N ATOM 260 NH2 ARG A 18 5.717 11.388 -11.021 1.00 0.00 N ATOM 0 H ARG A 18 1.819 6.865 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.197 8.360 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.481 7.053 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.400 7.244 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.688 9.524 -10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.513 9.679 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.782 9.665 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.014 8.285 -9.123 1.00 0.00 H new ATOM 0 HE ARG A 18 3.430 10.445 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.725 9.623 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.029 10.581 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.100 11.668 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.679 11.727 -10.992 1.00 0.00 H new ATOM 274 N GLU A 19 -1.151 6.344 -9.611 1.00 0.00 N ATOM 275 CA GLU A 19 -1.957 5.180 -10.059 1.00 0.00 C ATOM 276 C GLU A 19 -1.028 4.049 -10.509 1.00 0.00 C ATOM 277 O GLU A 19 -1.456 2.934 -10.733 1.00 0.00 O ATOM 278 CB GLU A 19 -2.855 5.598 -11.226 1.00 0.00 C ATOM 279 CG GLU A 19 -1.990 5.974 -12.430 1.00 0.00 C ATOM 280 CD GLU A 19 -2.851 5.978 -13.695 1.00 0.00 C ATOM 281 OE1 GLU A 19 -3.356 4.924 -14.047 1.00 0.00 O ATOM 282 OE2 GLU A 19 -2.993 7.033 -14.288 1.00 0.00 O ATOM 0 H GLU A 19 -1.265 7.190 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.574 4.831 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.529 4.783 -11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.477 6.444 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.544 6.957 -12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.170 5.264 -12.538 1.00 0.00 H new ATOM 289 N GLU A 20 0.240 4.325 -10.646 1.00 0.00 N ATOM 290 CA GLU A 20 1.193 3.265 -11.081 1.00 0.00 C ATOM 291 C GLU A 20 1.519 2.348 -9.900 1.00 0.00 C ATOM 292 O GLU A 20 1.873 1.199 -10.074 1.00 0.00 O ATOM 293 CB GLU A 20 2.479 3.914 -11.594 1.00 0.00 C ATOM 294 CG GLU A 20 3.333 2.863 -12.307 1.00 0.00 C ATOM 295 CD GLU A 20 4.477 3.554 -13.050 1.00 0.00 C ATOM 296 OE1 GLU A 20 5.489 3.820 -12.422 1.00 0.00 O ATOM 297 OE2 GLU A 20 4.323 3.805 -14.233 1.00 0.00 O ATOM 0 H GLU A 20 0.658 5.240 -10.475 1.00 0.00 H new ATOM 0 HA GLU A 20 0.739 2.677 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.240 4.728 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.036 4.348 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.732 2.152 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.720 2.296 -13.008 1.00 0.00 H new ATOM 304 N ASP A 21 1.403 2.846 -8.699 1.00 0.00 N ATOM 305 CA ASP A 21 1.709 2.000 -7.511 1.00 0.00 C ATOM 306 C ASP A 21 0.403 1.580 -6.834 1.00 0.00 C ATOM 307 O ASP A 21 -0.636 2.173 -7.045 1.00 0.00 O ATOM 308 CB ASP A 21 2.565 2.791 -6.519 1.00 0.00 C ATOM 309 CG ASP A 21 2.168 4.268 -6.563 1.00 0.00 C ATOM 310 OD1 ASP A 21 1.098 4.589 -6.072 1.00 0.00 O ATOM 311 OD2 ASP A 21 2.940 5.054 -7.088 1.00 0.00 O ATOM 0 H ASP A 21 1.110 3.800 -8.490 1.00 0.00 H new ATOM 0 HA ASP A 21 2.256 1.114 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.430 2.397 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.621 2.680 -6.765 1.00 0.00 H new ATOM 316 N ILE A 22 0.448 0.560 -6.021 1.00 0.00 N ATOM 317 CA ILE A 22 -0.789 0.102 -5.330 1.00 0.00 C ATOM 318 C ILE A 22 -0.602 0.219 -3.817 1.00 0.00 C ATOM 319 O ILE A 22 0.412 0.693 -3.343 1.00 0.00 O ATOM 320 CB ILE A 22 -1.074 -1.357 -5.698 1.00 0.00 C ATOM 321 CG1 ILE A 22 0.246 -2.090 -5.948 1.00 0.00 C ATOM 322 CG2 ILE A 22 -1.928 -1.403 -6.966 1.00 0.00 C ATOM 323 CD1 ILE A 22 1.020 -2.211 -4.634 1.00 0.00 C ATOM 0 H ILE A 22 1.289 0.024 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.628 0.724 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.608 -1.840 -4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.052 -3.080 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.841 -1.549 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.132 -2.441 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.869 -0.882 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.393 -0.920 -7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.960 -2.733 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.227 -1.216 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.426 -2.771 -3.912 1.00 0.00 H new ATOM 335 N ASP A 23 -1.568 -0.211 -3.053 1.00 0.00 N ATOM 336 CA ASP A 23 -1.441 -0.123 -1.571 1.00 0.00 C ATOM 337 C ASP A 23 -0.458 -1.183 -1.076 1.00 0.00 C ATOM 338 O ASP A 23 0.097 -1.941 -1.845 1.00 0.00 O ATOM 339 CB ASP A 23 -2.809 -0.355 -0.924 1.00 0.00 C ATOM 340 CG ASP A 23 -3.845 0.563 -1.577 1.00 0.00 C ATOM 341 OD1 ASP A 23 -4.353 0.199 -2.624 1.00 0.00 O ATOM 342 OD2 ASP A 23 -4.113 1.613 -1.017 1.00 0.00 O ATOM 0 H ASP A 23 -2.440 -0.619 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.074 0.867 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.106 -1.397 -1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.755 -0.157 0.146 1.00 0.00 H new ATOM 347 N LEU A 24 -0.240 -1.237 0.209 1.00 0.00 N ATOM 348 CA LEU A 24 0.705 -2.241 0.765 1.00 0.00 C ATOM 349 C LEU A 24 0.893 -1.953 2.259 1.00 0.00 C ATOM 350 O LEU A 24 0.751 -0.833 2.706 1.00 0.00 O ATOM 351 CB LEU A 24 2.041 -2.142 0.003 1.00 0.00 C ATOM 352 CG LEU A 24 3.232 -2.365 0.941 1.00 0.00 C ATOM 353 CD1 LEU A 24 4.411 -2.931 0.148 1.00 0.00 C ATOM 354 CD2 LEU A 24 3.633 -1.028 1.568 1.00 0.00 C ATOM 0 H LEU A 24 -0.678 -0.626 0.899 1.00 0.00 H new ATOM 0 HA LEU A 24 0.319 -3.254 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.062 -2.882 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.123 -1.162 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 24 2.954 -3.070 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.257 -3.089 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.123 -3.880 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.694 -2.228 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.480 -1.179 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.912 -0.327 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.793 -0.624 2.133 1.00 0.00 H new ATOM 366 N HIS A 25 1.206 -2.954 3.035 1.00 0.00 N ATOM 367 CA HIS A 25 1.398 -2.724 4.498 1.00 0.00 C ATOM 368 C HIS A 25 2.269 -3.837 5.082 1.00 0.00 C ATOM 369 O HIS A 25 2.189 -4.978 4.676 1.00 0.00 O ATOM 370 CB HIS A 25 0.039 -2.725 5.209 1.00 0.00 C ATOM 371 CG HIS A 25 -1.068 -2.333 4.227 1.00 0.00 C ATOM 372 ND1 HIS A 25 -1.391 -2.993 3.193 1.00 0.00 N ATOM 373 CD2 HIS A 25 -1.919 -1.244 4.235 1.00 0.00 C ATOM 374 CE1 HIS A 25 -2.351 -2.418 2.572 1.00 0.00 C ATOM 375 NE2 HIS A 25 -2.738 -1.304 3.172 1.00 0.00 N ATOM 0 H HIS A 25 1.337 -3.916 2.723 1.00 0.00 H new ATOM 0 HA HIS A 25 1.884 -1.760 4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.164 -3.713 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.057 -2.027 6.046 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.947 -3.862 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.925 -0.464 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.794 -2.798 1.663 1.00 0.00 H new ATOM 383 N LEU A 26 3.103 -3.514 6.033 1.00 0.00 N ATOM 384 CA LEU A 26 3.975 -4.551 6.641 1.00 0.00 C ATOM 385 C LEU A 26 3.131 -5.772 7.020 1.00 0.00 C ATOM 386 O LEU A 26 1.973 -5.653 7.365 1.00 0.00 O ATOM 387 CB LEU A 26 4.644 -3.988 7.896 1.00 0.00 C ATOM 388 CG LEU A 26 5.317 -5.124 8.668 1.00 0.00 C ATOM 389 CD1 LEU A 26 6.695 -4.667 9.149 1.00 0.00 C ATOM 390 CD2 LEU A 26 4.454 -5.503 9.873 1.00 0.00 C ATOM 0 H LEU A 26 3.216 -2.574 6.414 1.00 0.00 H new ATOM 0 HA LEU A 26 4.740 -4.845 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.382 -3.234 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.904 -3.495 8.526 1.00 0.00 H new ATOM 0 HG LEU A 26 5.430 -5.990 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.175 -5.476 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.309 -4.398 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.584 -3.801 9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.933 -6.313 10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.341 -4.638 10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.472 -5.829 9.529 1.00 0.00 H new ATOM 402 N GLY A 27 3.702 -6.943 6.959 1.00 0.00 N ATOM 403 CA GLY A 27 2.929 -8.167 7.316 1.00 0.00 C ATOM 404 C GLY A 27 2.114 -8.631 6.106 1.00 0.00 C ATOM 405 O GLY A 27 1.508 -9.683 6.122 1.00 0.00 O ATOM 0 H GLY A 27 4.669 -7.106 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.608 -8.958 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.266 -7.959 8.156 1.00 0.00 H new ATOM 409 N ASP A 28 2.093 -7.854 5.058 1.00 0.00 N ATOM 410 CA ASP A 28 1.317 -8.253 3.851 1.00 0.00 C ATOM 411 C ASP A 28 2.199 -9.106 2.936 1.00 0.00 C ATOM 412 O ASP A 28 3.318 -9.437 3.271 1.00 0.00 O ATOM 413 CB ASP A 28 0.864 -7.000 3.097 1.00 0.00 C ATOM 414 CG ASP A 28 -0.379 -6.419 3.775 1.00 0.00 C ATOM 415 OD1 ASP A 28 -0.454 -6.493 4.990 1.00 0.00 O ATOM 416 OD2 ASP A 28 -1.233 -5.912 3.067 1.00 0.00 O ATOM 0 H ASP A 28 2.580 -6.960 4.986 1.00 0.00 H new ATOM 0 HA ASP A 28 0.444 -8.830 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.664 -6.260 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.643 -7.247 2.059 1.00 0.00 H new ATOM 421 N ILE A 29 1.702 -9.462 1.784 1.00 0.00 N ATOM 422 CA ILE A 29 2.510 -10.293 0.847 1.00 0.00 C ATOM 423 C ILE A 29 2.341 -9.755 -0.576 1.00 0.00 C ATOM 424 O ILE A 29 1.294 -9.263 -0.943 1.00 0.00 O ATOM 425 CB ILE A 29 2.030 -11.747 0.912 1.00 0.00 C ATOM 426 CG1 ILE A 29 2.516 -12.386 2.214 1.00 0.00 C ATOM 427 CG2 ILE A 29 2.596 -12.529 -0.277 1.00 0.00 C ATOM 428 CD1 ILE A 29 1.703 -11.837 3.388 1.00 0.00 C ATOM 0 H ILE A 29 0.771 -9.213 1.450 1.00 0.00 H new ATOM 0 HA ILE A 29 3.562 -10.250 1.129 1.00 0.00 H new ATOM 0 HB ILE A 29 0.941 -11.769 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.411 -13.470 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.575 -12.175 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.253 -13.563 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.253 -12.076 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.685 -12.506 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.050 -12.293 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.831 -10.756 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.649 -12.071 3.241 1.00 0.00 H new ATOM 440 N LEU A 30 3.366 -9.845 -1.381 1.00 0.00 N ATOM 441 CA LEU A 30 3.261 -9.338 -2.776 1.00 0.00 C ATOM 442 C LEU A 30 3.570 -10.474 -3.745 1.00 0.00 C ATOM 443 O LEU A 30 4.637 -11.055 -3.721 1.00 0.00 O ATOM 444 CB LEU A 30 4.254 -8.197 -2.987 1.00 0.00 C ATOM 445 CG LEU A 30 3.807 -6.989 -2.167 1.00 0.00 C ATOM 446 CD1 LEU A 30 3.927 -7.320 -0.682 1.00 0.00 C ATOM 447 CD2 LEU A 30 4.695 -5.789 -2.491 1.00 0.00 C ATOM 0 H LEU A 30 4.269 -10.247 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 30 2.252 -8.968 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.254 -8.508 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.308 -7.935 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 30 2.772 -6.747 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.609 -6.461 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.294 -8.176 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.964 -7.560 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.373 -4.929 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.731 -6.027 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.616 -5.554 -3.552 1.00 0.00 H new ATOM 459 N THR A 31 2.643 -10.795 -4.596 1.00 0.00 N ATOM 460 CA THR A 31 2.871 -11.891 -5.569 1.00 0.00 C ATOM 461 C THR A 31 3.442 -11.322 -6.868 1.00 0.00 C ATOM 462 O THR A 31 2.714 -10.921 -7.754 1.00 0.00 O ATOM 463 CB THR A 31 1.542 -12.594 -5.850 1.00 0.00 C ATOM 464 OG1 THR A 31 0.528 -12.024 -5.034 1.00 0.00 O ATOM 465 CG2 THR A 31 1.679 -14.082 -5.530 1.00 0.00 C ATOM 0 H THR A 31 1.731 -10.342 -4.660 1.00 0.00 H new ATOM 0 HA THR A 31 3.583 -12.605 -5.155 1.00 0.00 H new ATOM 0 HB THR A 31 1.276 -12.471 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.311 -12.513 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.733 -14.586 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.460 -14.518 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.941 -14.206 -4.479 1.00 0.00 H new ATOM 473 N VAL A 32 4.744 -11.267 -6.980 1.00 0.00 N ATOM 474 CA VAL A 32 5.367 -10.727 -8.222 1.00 0.00 C ATOM 475 C VAL A 32 5.807 -11.894 -9.107 1.00 0.00 C ATOM 476 O VAL A 32 6.730 -12.613 -8.786 1.00 0.00 O ATOM 477 CB VAL A 32 6.587 -9.876 -7.864 1.00 0.00 C ATOM 478 CG1 VAL A 32 7.289 -9.427 -9.147 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.135 -8.647 -7.074 1.00 0.00 C ATOM 0 H VAL A 32 5.402 -11.573 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 32 4.642 -10.109 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 32 7.277 -10.464 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.158 -8.821 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.610 -10.302 -9.712 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.600 -8.838 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.003 -8.040 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.446 -8.058 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.633 -8.966 -6.160 1.00 0.00 H new ATOM 489 N ASN A 33 5.153 -12.089 -10.218 1.00 0.00 N ATOM 490 CA ASN A 33 5.535 -13.212 -11.121 1.00 0.00 C ATOM 491 C ASN A 33 6.957 -12.995 -11.645 1.00 0.00 C ATOM 492 O ASN A 33 7.396 -11.878 -11.839 1.00 0.00 O ATOM 493 CB ASN A 33 4.562 -13.270 -12.300 1.00 0.00 C ATOM 494 CG ASN A 33 3.179 -13.693 -11.801 1.00 0.00 C ATOM 495 OD1 ASN A 33 3.048 -14.218 -10.713 1.00 0.00 O ATOM 496 ND2 ASN A 33 2.134 -13.484 -12.555 1.00 0.00 N ATOM 0 H ASN A 33 4.370 -11.520 -10.540 1.00 0.00 H new ATOM 0 HA ASN A 33 5.495 -14.149 -10.566 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.503 -12.295 -12.785 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.922 -13.977 -13.048 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.208 -13.761 -12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.244 -13.043 -13.468 1.00 0.00 H new ATOM 503 N LYS A 34 7.679 -14.059 -11.877 1.00 0.00 N ATOM 504 CA LYS A 34 9.068 -13.930 -12.387 1.00 0.00 C ATOM 505 C LYS A 34 9.037 -13.602 -13.883 1.00 0.00 C ATOM 506 O LYS A 34 8.042 -13.802 -14.551 1.00 0.00 O ATOM 507 CB LYS A 34 9.796 -15.255 -12.170 1.00 0.00 C ATOM 508 CG LYS A 34 9.245 -16.304 -13.136 1.00 0.00 C ATOM 509 CD LYS A 34 9.844 -17.671 -12.800 1.00 0.00 C ATOM 510 CE LYS A 34 10.464 -18.279 -14.060 1.00 0.00 C ATOM 511 NZ LYS A 34 11.798 -18.854 -13.729 1.00 0.00 N ATOM 0 H LYS A 34 7.360 -15.017 -11.733 1.00 0.00 H new ATOM 0 HA LYS A 34 9.585 -13.130 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.866 -15.124 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.666 -15.589 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.158 -16.344 -13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.488 -16.031 -14.163 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.601 -17.567 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.072 -18.332 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.811 -19.054 -14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.566 -17.517 -14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.220 -19.267 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.419 -18.103 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.688 -19.593 -13.006 1.00 0.00 H new ATOM 525 N GLY A 35 10.118 -13.100 -14.412 1.00 0.00 N ATOM 526 CA GLY A 35 10.151 -12.761 -15.863 1.00 0.00 C ATOM 527 C GLY A 35 9.644 -11.333 -16.056 1.00 0.00 C ATOM 528 O GLY A 35 10.342 -10.476 -16.561 1.00 0.00 O ATOM 0 H GLY A 35 10.981 -12.910 -13.902 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.167 -12.854 -16.248 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.531 -13.459 -16.426 1.00 0.00 H new ATOM 532 N SER A 36 8.429 -11.069 -15.660 1.00 0.00 N ATOM 533 CA SER A 36 7.876 -9.699 -15.819 1.00 0.00 C ATOM 534 C SER A 36 8.843 -8.691 -15.195 1.00 0.00 C ATOM 535 O SER A 36 8.871 -7.532 -15.559 1.00 0.00 O ATOM 536 CB SER A 36 6.520 -9.609 -15.117 1.00 0.00 C ATOM 537 OG SER A 36 5.568 -10.390 -15.823 1.00 0.00 O ATOM 0 H SER A 36 7.796 -11.746 -15.233 1.00 0.00 H new ATOM 0 HA SER A 36 7.748 -9.477 -16.878 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.606 -9.963 -14.090 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.191 -8.571 -15.070 1.00 0.00 H new ATOM 0 HG SER A 36 4.700 -10.334 -15.372 1.00 0.00 H new ATOM 543 N LEU A 37 9.634 -9.127 -14.254 1.00 0.00 N ATOM 544 CA LEU A 37 10.602 -8.202 -13.599 1.00 0.00 C ATOM 545 C LEU A 37 11.927 -8.230 -14.364 1.00 0.00 C ATOM 546 O LEU A 37 12.657 -7.259 -14.396 1.00 0.00 O ATOM 547 CB LEU A 37 10.836 -8.658 -12.157 1.00 0.00 C ATOM 548 CG LEU A 37 11.259 -7.462 -11.304 1.00 0.00 C ATOM 549 CD1 LEU A 37 11.314 -7.878 -9.833 1.00 0.00 C ATOM 550 CD2 LEU A 37 12.642 -6.984 -11.747 1.00 0.00 C ATOM 0 H LEU A 37 9.652 -10.087 -13.909 1.00 0.00 H new ATOM 0 HA LEU A 37 10.202 -7.188 -13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.926 -9.102 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.607 -9.428 -12.129 1.00 0.00 H new ATOM 0 HG LEU A 37 10.537 -6.655 -11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.616 -7.025 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.329 -8.221 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.036 -8.685 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.944 -6.131 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.363 -7.792 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.606 -6.688 -12.795 1.00 0.00 H new ATOM 562 N VAL A 38 12.241 -9.336 -14.981 1.00 0.00 N ATOM 563 CA VAL A 38 13.517 -9.432 -15.745 1.00 0.00 C ATOM 564 C VAL A 38 13.294 -8.978 -17.189 1.00 0.00 C ATOM 565 O VAL A 38 14.200 -8.988 -17.999 1.00 0.00 O ATOM 566 CB VAL A 38 13.997 -10.883 -15.740 1.00 0.00 C ATOM 567 CG1 VAL A 38 15.254 -11.010 -16.602 1.00 0.00 C ATOM 568 CG2 VAL A 38 14.313 -11.312 -14.305 1.00 0.00 C ATOM 0 H VAL A 38 11.667 -10.179 -14.989 1.00 0.00 H new ATOM 0 HA VAL A 38 14.266 -8.792 -15.279 1.00 0.00 H new ATOM 0 HB VAL A 38 13.215 -11.525 -16.146 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.595 -12.045 -16.598 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.026 -10.707 -17.624 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.038 -10.368 -16.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.655 -12.347 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.094 -10.670 -13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.415 -11.225 -13.693 1.00 0.00 H new ATOM 578 N ALA A 39 12.096 -8.585 -17.521 1.00 0.00 N ATOM 579 CA ALA A 39 11.820 -8.132 -18.915 1.00 0.00 C ATOM 580 C ALA A 39 12.588 -6.837 -19.200 1.00 0.00 C ATOM 581 O ALA A 39 12.633 -6.367 -20.319 1.00 0.00 O ATOM 582 CB ALA A 39 10.320 -7.883 -19.083 1.00 0.00 C ATOM 0 H ALA A 39 11.296 -8.557 -16.889 1.00 0.00 H new ATOM 0 HA ALA A 39 12.142 -8.903 -19.615 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.118 -7.552 -20.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.774 -8.805 -18.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.998 -7.114 -18.381 1.00 0.00 H new ATOM 588 N LEU A 40 13.193 -6.256 -18.198 1.00 0.00 N ATOM 589 CA LEU A 40 13.954 -4.994 -18.418 1.00 0.00 C ATOM 590 C LEU A 40 15.418 -5.320 -18.720 1.00 0.00 C ATOM 591 O LEU A 40 16.157 -4.498 -19.226 1.00 0.00 O ATOM 592 CB LEU A 40 13.874 -4.127 -17.160 1.00 0.00 C ATOM 593 CG LEU A 40 12.414 -4.016 -16.714 1.00 0.00 C ATOM 594 CD1 LEU A 40 12.317 -4.277 -15.210 1.00 0.00 C ATOM 595 CD2 LEU A 40 11.892 -2.611 -17.024 1.00 0.00 C ATOM 0 H LEU A 40 13.192 -6.601 -17.238 1.00 0.00 H new ATOM 0 HA LEU A 40 13.524 -4.455 -19.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.477 -4.564 -16.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.281 -3.136 -17.361 1.00 0.00 H new ATOM 0 HG LEU A 40 11.814 -4.753 -17.248 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.277 -4.198 -14.893 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.688 -5.278 -14.990 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.917 -3.542 -14.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.852 -2.531 -16.707 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.492 -1.874 -16.490 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.959 -2.426 -18.096 1.00 0.00 H new ATOM 607 N GLY A 41 15.846 -6.514 -18.412 1.00 0.00 N ATOM 608 CA GLY A 41 17.262 -6.891 -18.681 1.00 0.00 C ATOM 609 C GLY A 41 17.960 -7.203 -17.357 1.00 0.00 C ATOM 610 O GLY A 41 19.169 -7.129 -17.247 1.00 0.00 O ATOM 0 H GLY A 41 15.276 -7.244 -17.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.301 -7.759 -19.340 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.776 -6.078 -19.194 1.00 0.00 H new ATOM 614 N PHE A 42 17.209 -7.551 -16.349 1.00 0.00 N ATOM 615 CA PHE A 42 17.827 -7.868 -15.030 1.00 0.00 C ATOM 616 C PHE A 42 18.845 -8.998 -15.199 1.00 0.00 C ATOM 617 O PHE A 42 19.164 -9.400 -16.300 1.00 0.00 O ATOM 618 CB PHE A 42 16.737 -8.309 -14.050 1.00 0.00 C ATOM 619 CG PHE A 42 16.037 -7.078 -13.473 1.00 0.00 C ATOM 620 CD1 PHE A 42 15.540 -6.095 -14.310 1.00 0.00 C ATOM 621 CD2 PHE A 42 15.886 -6.933 -12.106 1.00 0.00 C ATOM 622 CE1 PHE A 42 14.903 -4.990 -13.789 1.00 0.00 C ATOM 623 CE2 PHE A 42 15.248 -5.830 -11.587 1.00 0.00 C ATOM 624 CZ PHE A 42 14.756 -4.857 -12.427 1.00 0.00 C ATOM 0 H PHE A 42 16.193 -7.630 -16.381 1.00 0.00 H new ATOM 0 HA PHE A 42 18.330 -6.981 -14.643 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.013 -8.946 -14.558 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.174 -8.901 -13.246 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.652 -6.195 -15.380 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.272 -7.691 -11.441 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.519 -4.227 -14.450 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.133 -5.727 -10.518 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.256 -3.991 -12.018 1.00 0.00 H new ATOM 634 N SER A 43 19.357 -9.512 -14.115 1.00 0.00 N ATOM 635 CA SER A 43 20.354 -10.615 -14.210 1.00 0.00 C ATOM 636 C SER A 43 19.774 -11.880 -13.573 1.00 0.00 C ATOM 637 O SER A 43 18.622 -11.922 -13.193 1.00 0.00 O ATOM 638 CB SER A 43 21.631 -10.212 -13.472 1.00 0.00 C ATOM 639 OG SER A 43 22.739 -10.314 -14.355 1.00 0.00 O ATOM 0 H SER A 43 19.128 -9.215 -13.166 1.00 0.00 H new ATOM 0 HA SER A 43 20.586 -10.808 -15.257 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.542 -9.192 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.782 -10.856 -12.606 1.00 0.00 H new ATOM 0 HG SER A 43 23.558 -10.054 -13.884 1.00 0.00 H new ATOM 645 N ASP A 44 20.564 -12.911 -13.456 1.00 0.00 N ATOM 646 CA ASP A 44 20.055 -14.172 -12.843 1.00 0.00 C ATOM 647 C ASP A 44 20.213 -14.099 -11.324 1.00 0.00 C ATOM 648 O ASP A 44 21.206 -14.530 -10.772 1.00 0.00 O ATOM 649 CB ASP A 44 20.853 -15.361 -13.384 1.00 0.00 C ATOM 650 CG ASP A 44 20.429 -16.635 -12.652 1.00 0.00 C ATOM 651 OD1 ASP A 44 19.238 -16.895 -12.597 1.00 0.00 O ATOM 652 OD2 ASP A 44 21.303 -17.329 -12.157 1.00 0.00 O ATOM 0 H ASP A 44 21.538 -12.936 -13.757 1.00 0.00 H new ATOM 0 HA ASP A 44 19.002 -14.299 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 44 20.682 -15.470 -14.455 1.00 0.00 H new ATOM 0 HB3 ASP A 44 21.921 -15.189 -13.247 1.00 0.00 H new ATOM 657 N GLY A 45 19.243 -13.554 -10.642 1.00 0.00 N ATOM 658 CA GLY A 45 19.339 -13.454 -9.158 1.00 0.00 C ATOM 659 C GLY A 45 18.857 -12.075 -8.704 1.00 0.00 C ATOM 660 O GLY A 45 18.307 -11.921 -7.632 1.00 0.00 O ATOM 0 H GLY A 45 18.388 -13.174 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 45 18.736 -14.233 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.369 -13.614 -8.839 1.00 0.00 H new ATOM 664 N GLN A 46 19.057 -11.069 -9.512 1.00 0.00 N ATOM 665 CA GLN A 46 18.609 -9.703 -9.123 1.00 0.00 C ATOM 666 C GLN A 46 17.124 -9.738 -8.753 1.00 0.00 C ATOM 667 O GLN A 46 16.623 -8.869 -8.066 1.00 0.00 O ATOM 668 CB GLN A 46 18.822 -8.744 -10.297 1.00 0.00 C ATOM 669 CG GLN A 46 19.621 -7.528 -9.822 1.00 0.00 C ATOM 670 CD GLN A 46 20.894 -7.998 -9.117 1.00 0.00 C ATOM 671 OE1 GLN A 46 21.003 -7.911 -7.910 1.00 0.00 O ATOM 672 NE2 GLN A 46 21.871 -8.498 -9.825 1.00 0.00 N ATOM 0 H GLN A 46 19.511 -11.135 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 46 19.187 -9.361 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 19.354 -9.250 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 46 17.861 -8.426 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 46 19.876 -6.893 -10.670 1.00 0.00 H new ATOM 0 HG3 GLN A 46 19.018 -6.926 -9.143 1.00 0.00 H new ATOM 0 HE21 GLN A 46 21.781 -8.572 -10.838 1.00 0.00 H new ATOM 0 HE22 GLN A 46 22.724 -8.815 -9.365 1.00 0.00 H new ATOM 681 N GLU A 47 16.417 -10.739 -9.199 1.00 0.00 N ATOM 682 CA GLU A 47 14.966 -10.837 -8.877 1.00 0.00 C ATOM 683 C GLU A 47 14.760 -10.658 -7.372 1.00 0.00 C ATOM 684 O GLU A 47 14.009 -9.809 -6.943 1.00 0.00 O ATOM 685 CB GLU A 47 14.447 -12.212 -9.305 1.00 0.00 C ATOM 686 CG GLU A 47 14.180 -12.214 -10.813 1.00 0.00 C ATOM 687 CD GLU A 47 15.359 -11.568 -11.547 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.363 -10.354 -11.664 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.237 -12.298 -11.976 1.00 0.00 O ATOM 0 H GLU A 47 16.784 -11.497 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 47 14.421 -10.057 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.177 -12.982 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.532 -12.451 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.036 -13.235 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.261 -11.669 -11.030 1.00 0.00 H new ATOM 696 N ALA A 48 15.433 -11.443 -6.569 1.00 0.00 N ATOM 697 CA ALA A 48 15.276 -11.320 -5.087 1.00 0.00 C ATOM 698 C ALA A 48 16.213 -10.238 -4.549 1.00 0.00 C ATOM 699 O ALA A 48 17.063 -10.488 -3.718 1.00 0.00 O ATOM 700 CB ALA A 48 15.599 -12.664 -4.431 1.00 0.00 C ATOM 0 H ALA A 48 16.085 -12.165 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 48 14.249 -11.040 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.486 -12.578 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.917 -13.426 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.625 -12.947 -4.667 1.00 0.00 H new ATOM 706 N ARG A 49 16.056 -9.036 -5.025 1.00 0.00 N ATOM 707 CA ARG A 49 16.917 -7.914 -4.562 1.00 0.00 C ATOM 708 C ARG A 49 16.135 -6.609 -4.725 1.00 0.00 C ATOM 709 O ARG A 49 16.586 -5.696 -5.385 1.00 0.00 O ATOM 710 CB ARG A 49 18.191 -7.861 -5.409 1.00 0.00 C ATOM 711 CG ARG A 49 19.413 -7.841 -4.488 1.00 0.00 C ATOM 712 CD ARG A 49 19.843 -9.276 -4.179 1.00 0.00 C ATOM 713 NE ARG A 49 20.292 -9.365 -2.761 1.00 0.00 N ATOM 714 CZ ARG A 49 20.371 -10.527 -2.169 1.00 0.00 C ATOM 715 NH1 ARG A 49 20.056 -11.617 -2.817 1.00 0.00 N ATOM 716 NH2 ARG A 49 20.766 -10.599 -0.927 1.00 0.00 N ATOM 0 H ARG A 49 15.359 -8.780 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 49 17.194 -8.058 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.236 -8.725 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.184 -6.973 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 20.231 -7.299 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.176 -7.314 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.013 -9.961 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.650 -9.577 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 49 20.538 -8.517 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.747 -11.562 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.119 -12.523 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.012 -9.749 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.828 -11.505 -0.463 1.00 0.00 H new ATOM 730 N PRO A 50 14.988 -6.558 -4.091 1.00 0.00 N ATOM 731 CA PRO A 50 14.105 -5.378 -4.142 1.00 0.00 C ATOM 732 C PRO A 50 14.878 -4.095 -3.834 1.00 0.00 C ATOM 733 O PRO A 50 14.749 -3.104 -4.524 1.00 0.00 O ATOM 734 CB PRO A 50 13.041 -5.640 -3.070 1.00 0.00 C ATOM 735 CG PRO A 50 13.282 -7.063 -2.504 1.00 0.00 C ATOM 736 CD PRO A 50 14.506 -7.650 -3.226 1.00 0.00 C ATOM 0 HA PRO A 50 13.671 -5.238 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.107 -4.896 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.041 -5.563 -3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.455 -7.023 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.406 -7.692 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.273 -7.961 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.237 -8.529 -3.811 1.00 0.00 H new ATOM 744 N GLU A 51 15.673 -4.097 -2.804 1.00 0.00 N ATOM 745 CA GLU A 51 16.442 -2.868 -2.470 1.00 0.00 C ATOM 746 C GLU A 51 17.354 -2.504 -3.649 1.00 0.00 C ATOM 747 O GLU A 51 17.603 -1.346 -3.921 1.00 0.00 O ATOM 748 CB GLU A 51 17.264 -3.112 -1.196 1.00 0.00 C ATOM 749 CG GLU A 51 18.620 -3.738 -1.543 1.00 0.00 C ATOM 750 CD GLU A 51 19.460 -3.871 -0.271 1.00 0.00 C ATOM 751 OE1 GLU A 51 19.145 -3.199 0.697 1.00 0.00 O ATOM 752 OE2 GLU A 51 20.406 -4.642 -0.288 1.00 0.00 O ATOM 0 H GLU A 51 15.824 -4.891 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 51 15.761 -2.037 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.416 -2.170 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.715 -3.770 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.475 -4.717 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.142 -3.120 -2.273 1.00 0.00 H new ATOM 759 N GLU A 52 17.854 -3.487 -4.351 1.00 0.00 N ATOM 760 CA GLU A 52 18.744 -3.208 -5.507 1.00 0.00 C ATOM 761 C GLU A 52 17.948 -3.314 -6.813 1.00 0.00 C ATOM 762 O GLU A 52 18.484 -3.155 -7.892 1.00 0.00 O ATOM 763 CB GLU A 52 19.874 -4.235 -5.519 1.00 0.00 C ATOM 764 CG GLU A 52 20.245 -4.610 -4.081 1.00 0.00 C ATOM 765 CD GLU A 52 21.461 -5.538 -4.093 1.00 0.00 C ATOM 766 OE1 GLU A 52 22.258 -5.426 -5.009 1.00 0.00 O ATOM 767 OE2 GLU A 52 21.574 -6.344 -3.185 1.00 0.00 O ATOM 0 H GLU A 52 17.681 -4.476 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 52 19.154 -2.202 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.565 -5.124 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.743 -3.828 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.466 -3.711 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.403 -5.102 -3.594 1.00 0.00 H new ATOM 774 N ILE A 53 16.672 -3.580 -6.725 1.00 0.00 N ATOM 775 CA ILE A 53 15.844 -3.695 -7.959 1.00 0.00 C ATOM 776 C ILE A 53 15.189 -2.340 -8.245 1.00 0.00 C ATOM 777 O ILE A 53 15.001 -1.957 -9.383 1.00 0.00 O ATOM 778 CB ILE A 53 14.765 -4.771 -7.748 1.00 0.00 C ATOM 779 CG1 ILE A 53 15.366 -6.153 -8.033 1.00 0.00 C ATOM 780 CG2 ILE A 53 13.583 -4.522 -8.698 1.00 0.00 C ATOM 781 CD1 ILE A 53 14.246 -7.182 -8.212 1.00 0.00 C ATOM 0 H ILE A 53 16.167 -3.723 -5.850 1.00 0.00 H new ATOM 0 HA ILE A 53 16.468 -3.980 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 53 14.410 -4.728 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.982 -6.113 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 53 16.018 -6.452 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.823 -5.288 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.155 -3.540 -8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.931 -4.561 -9.730 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.680 -8.161 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.648 -7.231 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.611 -6.887 -9.048 1.00 0.00 H new ATOM 793 N GLY A 54 14.842 -1.616 -7.220 1.00 0.00 N ATOM 794 CA GLY A 54 14.199 -0.287 -7.426 1.00 0.00 C ATOM 795 C GLY A 54 12.702 -0.400 -7.137 1.00 0.00 C ATOM 796 O GLY A 54 12.233 -0.046 -6.073 1.00 0.00 O ATOM 0 H GLY A 54 14.976 -1.886 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.653 0.455 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.359 0.053 -8.449 1.00 0.00 H new ATOM 800 N TRP A 55 11.949 -0.892 -8.080 1.00 0.00 N ATOM 801 CA TRP A 55 10.481 -1.033 -7.871 1.00 0.00 C ATOM 802 C TRP A 55 10.012 -2.351 -8.490 1.00 0.00 C ATOM 803 O TRP A 55 10.513 -2.779 -9.511 1.00 0.00 O ATOM 804 CB TRP A 55 9.753 0.136 -8.537 1.00 0.00 C ATOM 805 CG TRP A 55 9.749 1.339 -7.591 1.00 0.00 C ATOM 806 CD1 TRP A 55 10.840 2.029 -7.215 1.00 0.00 C ATOM 807 CD2 TRP A 55 8.664 1.856 -7.016 1.00 0.00 C ATOM 808 NE1 TRP A 55 10.351 2.967 -6.401 1.00 0.00 N ATOM 809 CE2 TRP A 55 9.009 2.933 -6.222 1.00 0.00 C ATOM 810 CE3 TRP A 55 7.342 1.471 -7.116 1.00 0.00 C ATOM 811 CZ2 TRP A 55 8.036 3.621 -5.530 1.00 0.00 C ATOM 812 CZ3 TRP A 55 6.369 2.160 -6.422 1.00 0.00 C ATOM 813 CH2 TRP A 55 6.718 3.236 -5.629 1.00 0.00 C ATOM 0 H TRP A 55 12.288 -1.204 -8.990 1.00 0.00 H new ATOM 0 HA TRP A 55 10.260 -1.030 -6.804 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.244 0.398 -9.474 1.00 0.00 H new ATOM 0 HB3 TRP A 55 8.730 -0.151 -8.783 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.868 1.864 -7.503 1.00 0.00 H new ATOM 0 HE1 TRP A 55 10.946 3.660 -5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.070 0.631 -7.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.307 4.462 -4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.335 1.858 -6.499 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.956 3.776 -5.086 1.00 0.00 H new ATOM 824 N LEU A 56 9.054 -2.999 -7.885 1.00 0.00 N ATOM 825 CA LEU A 56 8.562 -4.289 -8.448 1.00 0.00 C ATOM 826 C LEU A 56 7.039 -4.254 -8.578 1.00 0.00 C ATOM 827 O LEU A 56 6.368 -3.464 -7.946 1.00 0.00 O ATOM 828 CB LEU A 56 8.967 -5.441 -7.524 1.00 0.00 C ATOM 829 CG LEU A 56 10.284 -5.101 -6.822 1.00 0.00 C ATOM 830 CD1 LEU A 56 9.992 -4.621 -5.400 1.00 0.00 C ATOM 831 CD2 LEU A 56 11.171 -6.346 -6.765 1.00 0.00 C ATOM 0 H LEU A 56 8.592 -2.693 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 56 9.004 -4.438 -9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.186 -5.619 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.077 -6.360 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 56 10.797 -4.315 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.929 -4.378 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.360 -3.734 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.478 -5.408 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.108 -6.102 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.658 -7.133 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.379 -6.691 -7.778 1.00 0.00 H new ATOM 843 N ASN A 57 6.491 -5.103 -9.402 1.00 0.00 N ATOM 844 CA ASN A 57 5.012 -5.129 -9.581 1.00 0.00 C ATOM 845 C ASN A 57 4.492 -6.501 -9.153 1.00 0.00 C ATOM 846 O ASN A 57 4.793 -7.505 -9.765 1.00 0.00 O ATOM 847 CB ASN A 57 4.667 -4.889 -11.053 1.00 0.00 C ATOM 848 CG ASN A 57 3.176 -5.146 -11.276 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.337 -4.147 -11.218 1.00 0.00 O flip ATOM 850 ND2 ASN A 57 2.769 -6.268 -11.504 1.00 0.00 N flip ATOM 0 H ASN A 57 7.006 -5.783 -9.962 1.00 0.00 H new ATOM 0 HA ASN A 57 4.551 -4.349 -8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.916 -3.866 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.259 -5.547 -11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.424 -7.049 -11.549 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.772 -6.429 -11.650 1.00 0.00 H new ATOM 857 N GLY A 58 3.714 -6.557 -8.107 1.00 0.00 N ATOM 858 CA GLY A 58 3.187 -7.873 -7.653 1.00 0.00 C ATOM 859 C GLY A 58 1.703 -7.759 -7.308 1.00 0.00 C ATOM 860 O GLY A 58 1.018 -6.845 -7.730 1.00 0.00 O ATOM 0 H GLY A 58 3.422 -5.753 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.329 -8.619 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.745 -8.215 -6.781 1.00 0.00 H new ATOM 864 N TYR A 59 1.207 -8.687 -6.534 1.00 0.00 N ATOM 865 CA TYR A 59 -0.231 -8.654 -6.150 1.00 0.00 C ATOM 866 C TYR A 59 -0.362 -8.714 -4.625 1.00 0.00 C ATOM 867 O TYR A 59 -0.108 -9.731 -4.010 1.00 0.00 O ATOM 868 CB TYR A 59 -0.940 -9.862 -6.766 1.00 0.00 C ATOM 869 CG TYR A 59 -2.453 -9.684 -6.645 1.00 0.00 C ATOM 870 CD1 TYR A 59 -3.147 -8.947 -7.581 1.00 0.00 C ATOM 871 CD2 TYR A 59 -3.143 -10.257 -5.597 1.00 0.00 C ATOM 872 CE1 TYR A 59 -4.512 -8.785 -7.471 1.00 0.00 C ATOM 873 CE2 TYR A 59 -4.508 -10.095 -5.487 1.00 0.00 C ATOM 874 CZ TYR A 59 -5.204 -9.357 -6.423 1.00 0.00 C ATOM 875 OH TYR A 59 -6.571 -9.195 -6.315 1.00 0.00 O ATOM 0 H TYR A 59 1.739 -9.468 -6.151 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.683 -7.731 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.658 -9.966 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.629 -10.776 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.618 -8.493 -8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.610 -10.837 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.044 -8.206 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.037 -10.549 -4.662 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.894 -9.666 -5.519 1.00 0.00 H new ATOM 885 N ASN A 60 -0.771 -7.638 -4.010 1.00 0.00 N ATOM 886 CA ASN A 60 -0.916 -7.638 -2.532 1.00 0.00 C ATOM 887 C ASN A 60 -2.226 -8.328 -2.151 1.00 0.00 C ATOM 888 O ASN A 60 -3.242 -7.694 -1.960 1.00 0.00 O ATOM 889 CB ASN A 60 -0.936 -6.194 -2.037 1.00 0.00 C ATOM 890 CG ASN A 60 0.262 -5.439 -2.618 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.834 -5.854 -3.608 1.00 0.00 O ATOM 892 ND2 ASN A 60 0.669 -4.343 -2.040 1.00 0.00 N ATOM 0 H ASN A 60 -1.010 -6.760 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.082 -8.172 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.865 -5.709 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.900 -6.171 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.467 -3.833 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.189 -3.996 -1.210 1.00 0.00 H new ATOM 899 N GLU A 61 -2.207 -9.628 -2.036 1.00 0.00 N ATOM 900 CA GLU A 61 -3.450 -10.362 -1.667 1.00 0.00 C ATOM 901 C GLU A 61 -3.986 -9.841 -0.331 1.00 0.00 C ATOM 902 O GLU A 61 -5.179 -9.773 -0.116 1.00 0.00 O ATOM 903 CB GLU A 61 -3.138 -11.855 -1.544 1.00 0.00 C ATOM 904 CG GLU A 61 -2.870 -12.434 -2.935 1.00 0.00 C ATOM 905 CD GLU A 61 -3.124 -13.943 -2.917 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.406 -14.463 -1.850 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.032 -14.552 -3.970 1.00 0.00 O ATOM 0 H GLU A 61 -1.384 -10.213 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.203 -10.206 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.270 -12.005 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.974 -12.375 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.516 -11.955 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.841 -12.231 -3.233 1.00 0.00 H new ATOM 914 N THR A 62 -3.115 -9.473 0.569 1.00 0.00 N ATOM 915 CA THR A 62 -3.581 -8.957 1.888 1.00 0.00 C ATOM 916 C THR A 62 -4.615 -7.850 1.671 1.00 0.00 C ATOM 917 O THR A 62 -5.542 -7.694 2.440 1.00 0.00 O ATOM 918 CB THR A 62 -2.390 -8.396 2.670 1.00 0.00 C ATOM 919 OG1 THR A 62 -1.530 -9.462 3.047 1.00 0.00 O ATOM 920 CG2 THR A 62 -2.895 -7.678 3.923 1.00 0.00 C ATOM 0 H THR A 62 -2.103 -9.507 0.448 1.00 0.00 H new ATOM 0 HA THR A 62 -4.035 -9.771 2.453 1.00 0.00 H new ATOM 0 HB THR A 62 -1.842 -7.691 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.555 -9.574 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.047 -7.279 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.556 -6.861 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.442 -8.382 4.550 1.00 0.00 H new ATOM 928 N THR A 63 -4.463 -7.081 0.629 1.00 0.00 N ATOM 929 CA THR A 63 -5.438 -5.985 0.363 1.00 0.00 C ATOM 930 C THR A 63 -6.069 -6.182 -1.019 1.00 0.00 C ATOM 931 O THR A 63 -6.801 -5.342 -1.503 1.00 0.00 O ATOM 932 CB THR A 63 -4.713 -4.637 0.403 1.00 0.00 C ATOM 933 OG1 THR A 63 -5.628 -3.599 0.080 1.00 0.00 O ATOM 934 CG2 THR A 63 -3.567 -4.641 -0.609 1.00 0.00 C ATOM 0 H THR A 63 -3.706 -7.163 -0.050 1.00 0.00 H new ATOM 0 HA THR A 63 -6.218 -6.003 1.124 1.00 0.00 H new ATOM 0 HB THR A 63 -4.311 -4.470 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.375 -3.970 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.052 -3.681 -0.579 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.865 -5.437 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.966 -4.808 -1.610 1.00 0.00 H new ATOM 942 N GLY A 64 -5.792 -7.287 -1.656 1.00 0.00 N ATOM 943 CA GLY A 64 -6.378 -7.536 -3.004 1.00 0.00 C ATOM 944 C GLY A 64 -6.003 -6.389 -3.947 1.00 0.00 C ATOM 945 O GLY A 64 -6.836 -5.858 -4.655 1.00 0.00 O ATOM 0 H GLY A 64 -5.186 -8.027 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.011 -8.482 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.462 -7.620 -2.930 1.00 0.00 H new ATOM 949 N GLU A 65 -4.757 -6.002 -3.963 1.00 0.00 N ATOM 950 CA GLU A 65 -4.329 -4.892 -4.858 1.00 0.00 C ATOM 951 C GLU A 65 -3.293 -5.415 -5.856 1.00 0.00 C ATOM 952 O GLU A 65 -2.712 -6.465 -5.669 1.00 0.00 O ATOM 953 CB GLU A 65 -3.712 -3.771 -4.020 1.00 0.00 C ATOM 954 CG GLU A 65 -4.793 -3.131 -3.148 1.00 0.00 C ATOM 955 CD GLU A 65 -5.827 -2.443 -4.040 1.00 0.00 C ATOM 956 OE1 GLU A 65 -5.457 -2.010 -5.118 1.00 0.00 O ATOM 957 OE2 GLU A 65 -6.973 -2.360 -3.629 1.00 0.00 O ATOM 0 H GLU A 65 -4.015 -6.408 -3.393 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.193 -4.506 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.913 -4.168 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.264 -3.021 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.276 -3.890 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.345 -2.407 -2.468 1.00 0.00 H new ATOM 964 N ARG A 66 -3.057 -4.689 -6.914 1.00 0.00 N ATOM 965 CA ARG A 66 -2.058 -5.146 -7.923 1.00 0.00 C ATOM 966 C ARG A 66 -1.394 -3.927 -8.563 1.00 0.00 C ATOM 967 O ARG A 66 -2.057 -3.031 -9.047 1.00 0.00 O ATOM 968 CB ARG A 66 -2.766 -5.967 -9.003 1.00 0.00 C ATOM 969 CG ARG A 66 -1.729 -6.548 -9.967 1.00 0.00 C ATOM 970 CD ARG A 66 -2.337 -7.737 -10.713 1.00 0.00 C ATOM 971 NE ARG A 66 -2.706 -7.322 -12.096 1.00 0.00 N ATOM 972 CZ ARG A 66 -3.465 -8.089 -12.831 1.00 0.00 C ATOM 973 NH1 ARG A 66 -3.907 -9.223 -12.358 1.00 0.00 N ATOM 974 NH2 ARG A 66 -3.785 -7.720 -14.041 1.00 0.00 N ATOM 0 H ARG A 66 -3.512 -3.800 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.301 -5.761 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.342 -6.771 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.472 -5.340 -9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.409 -5.785 -10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.843 -6.864 -9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.624 -8.561 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.218 -8.100 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.365 -6.436 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.660 -9.512 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.500 -9.820 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.442 -6.834 -14.411 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.378 -8.318 -14.617 1.00 0.00 H new ATOM 988 N GLY A 67 -0.088 -3.881 -8.575 1.00 0.00 N ATOM 989 CA GLY A 67 0.602 -2.711 -9.189 1.00 0.00 C ATOM 990 C GLY A 67 2.083 -2.719 -8.807 1.00 0.00 C ATOM 991 O GLY A 67 2.633 -3.735 -8.429 1.00 0.00 O ATOM 0 H GLY A 67 0.526 -4.598 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.497 -2.744 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.136 -1.785 -8.852 1.00 0.00 H new ATOM 995 N ASP A 68 2.733 -1.589 -8.901 1.00 0.00 N ATOM 996 CA ASP A 68 4.180 -1.525 -8.546 1.00 0.00 C ATOM 997 C ASP A 68 4.339 -1.042 -7.101 1.00 0.00 C ATOM 998 O ASP A 68 3.406 -0.557 -6.490 1.00 0.00 O ATOM 999 CB ASP A 68 4.893 -0.554 -9.491 1.00 0.00 C ATOM 1000 CG ASP A 68 5.187 -1.259 -10.816 1.00 0.00 C ATOM 1001 OD1 ASP A 68 4.245 -1.538 -11.540 1.00 0.00 O ATOM 1002 OD2 ASP A 68 6.351 -1.508 -11.087 1.00 0.00 O ATOM 0 H ASP A 68 2.323 -0.707 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 68 4.619 -2.518 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.272 0.325 -9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.821 -0.204 -9.039 1.00 0.00 H new ATOM 1007 N PHE A 69 5.518 -1.171 -6.555 1.00 0.00 N ATOM 1008 CA PHE A 69 5.751 -0.724 -5.151 1.00 0.00 C ATOM 1009 C PHE A 69 7.260 -0.651 -4.888 1.00 0.00 C ATOM 1010 O PHE A 69 8.037 -1.262 -5.594 1.00 0.00 O ATOM 1011 CB PHE A 69 5.118 -1.731 -4.189 1.00 0.00 C ATOM 1012 CG PHE A 69 5.585 -3.141 -4.555 1.00 0.00 C ATOM 1013 CD1 PHE A 69 5.139 -3.747 -5.714 1.00 0.00 C ATOM 1014 CD2 PHE A 69 6.468 -3.822 -3.737 1.00 0.00 C ATOM 1015 CE1 PHE A 69 5.571 -5.012 -6.052 1.00 0.00 C ATOM 1016 CE2 PHE A 69 6.898 -5.089 -4.077 1.00 0.00 C ATOM 1017 CZ PHE A 69 6.448 -5.683 -5.234 1.00 0.00 C ATOM 0 H PHE A 69 6.333 -1.568 -7.022 1.00 0.00 H new ATOM 0 HA PHE A 69 5.304 0.258 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.400 -1.497 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.031 -1.670 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.447 -3.226 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.823 -3.360 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.219 -5.476 -6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.588 -5.615 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.784 -6.675 -5.499 1.00 0.00 H new ATOM 1027 N PRO A 70 7.628 0.097 -3.880 1.00 0.00 N ATOM 1028 CA PRO A 70 9.044 0.264 -3.505 1.00 0.00 C ATOM 1029 C PRO A 70 9.648 -1.088 -3.111 1.00 0.00 C ATOM 1030 O PRO A 70 9.170 -1.755 -2.215 1.00 0.00 O ATOM 1031 CB PRO A 70 9.023 1.216 -2.301 1.00 0.00 C ATOM 1032 CG PRO A 70 7.543 1.580 -2.015 1.00 0.00 C ATOM 1033 CD PRO A 70 6.670 0.836 -3.038 1.00 0.00 C ATOM 0 HA PRO A 70 9.648 0.655 -4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.476 0.742 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.604 2.114 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.269 1.294 -0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.392 2.657 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.972 0.159 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.075 1.531 -3.631 1.00 0.00 H new ATOM 1041 N GLY A 71 10.696 -1.497 -3.772 1.00 0.00 N ATOM 1042 CA GLY A 71 11.327 -2.804 -3.434 1.00 0.00 C ATOM 1043 C GLY A 71 12.007 -2.706 -2.067 1.00 0.00 C ATOM 1044 O GLY A 71 11.919 -3.600 -1.253 1.00 0.00 O ATOM 0 H GLY A 71 11.142 -0.983 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.573 -3.591 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.057 -3.075 -4.196 1.00 0.00 H new ATOM 1048 N THR A 72 12.677 -1.621 -1.801 1.00 0.00 N ATOM 1049 CA THR A 72 13.357 -1.480 -0.483 1.00 0.00 C ATOM 1050 C THR A 72 12.313 -1.553 0.640 1.00 0.00 C ATOM 1051 O THR A 72 12.647 -1.683 1.801 1.00 0.00 O ATOM 1052 CB THR A 72 14.080 -0.130 -0.418 1.00 0.00 C ATOM 1053 OG1 THR A 72 13.161 0.877 -0.018 1.00 0.00 O ATOM 1054 CG2 THR A 72 14.654 0.220 -1.792 1.00 0.00 C ATOM 0 H THR A 72 12.784 -0.829 -2.435 1.00 0.00 H new ATOM 0 HA THR A 72 14.082 -2.285 -0.362 1.00 0.00 H new ATOM 0 HB THR A 72 14.894 -0.192 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.621 1.741 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.166 1.181 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.360 -0.551 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.845 0.281 -2.520 1.00 0.00 H new ATOM 1062 N TYR A 73 11.050 -1.472 0.304 1.00 0.00 N ATOM 1063 CA TYR A 73 9.989 -1.535 1.352 1.00 0.00 C ATOM 1064 C TYR A 73 9.402 -2.952 1.440 1.00 0.00 C ATOM 1065 O TYR A 73 8.299 -3.137 1.916 1.00 0.00 O ATOM 1066 CB TYR A 73 8.869 -0.556 0.991 1.00 0.00 C ATOM 1067 CG TYR A 73 9.346 0.874 1.230 1.00 0.00 C ATOM 1068 CD1 TYR A 73 10.500 1.334 0.633 1.00 0.00 C ATOM 1069 CD2 TYR A 73 8.630 1.725 2.045 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.933 2.622 0.847 1.00 0.00 C ATOM 1071 CE2 TYR A 73 9.062 3.015 2.260 1.00 0.00 C ATOM 1072 CZ TYR A 73 10.218 3.476 1.662 1.00 0.00 C ATOM 1073 OH TYR A 73 10.652 4.768 1.876 1.00 0.00 O ATOM 0 H TYR A 73 10.709 -1.365 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 73 10.429 -1.272 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.581 -0.685 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 7.984 -0.761 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.069 0.677 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.724 1.377 2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.840 2.968 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.492 3.671 2.901 1.00 0.00 H new ATOM 0 HH TYR A 73 10.027 5.228 2.475 1.00 0.00 H new ATOM 1083 N VAL A 74 10.125 -3.948 0.993 1.00 0.00 N ATOM 1084 CA VAL A 74 9.597 -5.348 1.057 1.00 0.00 C ATOM 1085 C VAL A 74 10.711 -6.304 1.495 1.00 0.00 C ATOM 1086 O VAL A 74 11.792 -5.892 1.865 1.00 0.00 O ATOM 1087 CB VAL A 74 9.118 -5.786 -0.331 1.00 0.00 C ATOM 1088 CG1 VAL A 74 7.846 -5.032 -0.716 1.00 0.00 C ATOM 1089 CG2 VAL A 74 10.211 -5.498 -1.361 1.00 0.00 C ATOM 0 H VAL A 74 11.056 -3.854 0.587 1.00 0.00 H new ATOM 0 HA VAL A 74 8.772 -5.375 1.769 1.00 0.00 H new ATOM 0 HB VAL A 74 8.903 -6.854 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.517 -5.354 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.063 -5.243 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.048 -3.961 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.871 -5.809 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.428 -4.430 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 74 11.114 -6.049 -1.097 1.00 0.00 H new ATOM 1099 N GLU A 75 10.444 -7.584 1.453 1.00 0.00 N ATOM 1100 CA GLU A 75 11.470 -8.586 1.858 1.00 0.00 C ATOM 1101 C GLU A 75 11.262 -9.860 1.032 1.00 0.00 C ATOM 1102 O GLU A 75 10.607 -10.792 1.456 1.00 0.00 O ATOM 1103 CB GLU A 75 11.337 -8.898 3.352 1.00 0.00 C ATOM 1104 CG GLU A 75 9.959 -9.495 3.633 1.00 0.00 C ATOM 1105 CD GLU A 75 9.590 -9.255 5.098 1.00 0.00 C ATOM 1106 OE1 GLU A 75 10.115 -9.961 5.943 1.00 0.00 O ATOM 1107 OE2 GLU A 75 8.790 -8.369 5.350 1.00 0.00 O ATOM 0 H GLU A 75 9.553 -7.979 1.153 1.00 0.00 H new ATOM 0 HA GLU A 75 12.469 -8.188 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.116 -9.596 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.476 -7.989 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.214 -9.041 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.963 -10.564 3.418 1.00 0.00 H new ATOM 1114 N TYR A 76 11.810 -9.887 -0.154 1.00 0.00 N ATOM 1115 CA TYR A 76 11.676 -11.069 -1.051 1.00 0.00 C ATOM 1116 C TYR A 76 11.603 -12.381 -0.269 1.00 0.00 C ATOM 1117 O TYR A 76 12.142 -12.512 0.812 1.00 0.00 O ATOM 1118 CB TYR A 76 12.905 -11.121 -1.941 1.00 0.00 C ATOM 1119 CG TYR A 76 12.487 -11.275 -3.395 1.00 0.00 C ATOM 1120 CD1 TYR A 76 12.262 -10.162 -4.175 1.00 0.00 C ATOM 1121 CD2 TYR A 76 12.414 -12.525 -3.972 1.00 0.00 C ATOM 1122 CE1 TYR A 76 11.979 -10.293 -5.513 1.00 0.00 C ATOM 1123 CE2 TYR A 76 12.133 -12.659 -5.306 1.00 0.00 C ATOM 1124 CZ TYR A 76 11.914 -11.541 -6.092 1.00 0.00 C ATOM 1125 OH TYR A 76 11.646 -11.669 -7.439 1.00 0.00 O ATOM 0 H TYR A 76 12.357 -9.121 -0.546 1.00 0.00 H new ATOM 0 HA TYR A 76 10.754 -10.962 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.493 -10.211 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.542 -11.955 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 76 12.308 -9.179 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.580 -13.405 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.807 -9.412 -6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 76 12.082 -13.643 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 76 11.733 -12.609 -7.702 1.00 0.00 H new ATOM 1135 N ILE A 77 10.930 -13.354 -0.826 1.00 0.00 N ATOM 1136 CA ILE A 77 10.805 -14.672 -0.147 1.00 0.00 C ATOM 1137 C ILE A 77 11.187 -15.780 -1.138 1.00 0.00 C ATOM 1138 O ILE A 77 11.332 -16.928 -0.767 1.00 0.00 O ATOM 1139 CB ILE A 77 9.366 -14.889 0.329 1.00 0.00 C ATOM 1140 CG1 ILE A 77 8.895 -13.664 1.117 1.00 0.00 C ATOM 1141 CG2 ILE A 77 9.313 -16.123 1.233 1.00 0.00 C ATOM 1142 CD1 ILE A 77 9.615 -13.616 2.466 1.00 0.00 C ATOM 0 H ILE A 77 10.459 -13.289 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 77 11.468 -14.696 0.718 1.00 0.00 H new ATOM 0 HB ILE A 77 8.717 -15.036 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.099 -12.755 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.817 -13.709 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.290 -16.281 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.648 -16.997 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.963 -15.971 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.279 -12.744 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.389 -14.520 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.691 -13.550 2.302 1.00 0.00 H new ATOM 1154 N GLY A 78 11.354 -15.451 -2.400 1.00 0.00 N ATOM 1155 CA GLY A 78 11.725 -16.493 -3.395 1.00 0.00 C ATOM 1156 C GLY A 78 10.474 -17.249 -3.844 1.00 0.00 C ATOM 1157 O GLY A 78 9.379 -16.719 -3.828 1.00 0.00 O ATOM 0 H GLY A 78 11.248 -14.509 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.210 -16.031 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.443 -17.187 -2.958 1.00 0.00 H new ATOM 1161 N ARG A 79 10.642 -18.490 -4.232 1.00 0.00 N ATOM 1162 CA ARG A 79 9.491 -19.327 -4.693 1.00 0.00 C ATOM 1163 C ARG A 79 8.435 -18.460 -5.378 1.00 0.00 C ATOM 1164 O ARG A 79 8.491 -18.348 -6.592 1.00 0.00 O ATOM 1165 CB ARG A 79 8.864 -20.063 -3.502 1.00 0.00 C ATOM 1166 CG ARG A 79 8.956 -19.205 -2.235 1.00 0.00 C ATOM 1167 CD ARG A 79 8.739 -20.080 -0.993 1.00 0.00 C ATOM 1168 NE ARG A 79 7.938 -21.289 -1.350 1.00 0.00 N ATOM 1169 CZ ARG A 79 7.968 -22.346 -0.582 1.00 0.00 C ATOM 1170 NH1 ARG A 79 8.685 -22.348 0.510 1.00 0.00 N ATOM 1171 NH2 ARG A 79 7.274 -23.404 -0.905 1.00 0.00 N ATOM 1172 OXT ARG A 79 7.585 -17.929 -4.682 1.00 0.00 O ATOM 0 H ARG A 79 11.544 -18.966 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 79 9.864 -20.057 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.821 -20.294 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.375 -21.013 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.931 -18.721 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.208 -18.413 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.701 -20.381 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.224 -19.508 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 79 7.366 -21.290 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.225 -21.522 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.705 -23.176 1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.710 -23.404 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.296 -24.230 -0.307 1.00 0.00 H new TER 1186 ARG A 79