USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 424 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 18 SER OG : rot 133:sc= -0.569! USER MOD Set 1.2: A 20 THR OG1 : rot 116:sc= 0.934 USER MOD Set 2.1: A 9 THR OG1 : rot -23:sc= 0.485 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.529 K(o=-0.044,f=-0.83) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 165:sc= -3.75! USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 25 SER OG : rot 170:sc= -1.98! 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 36 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.43) USER MOD Single : A 37 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.58) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -10.3! C(o=-10!,f=-7.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 52 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.92! C(o=-3.9!,f=-11!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 62:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.949 13.447 -4.127 1.00 0.00 N ATOM 2 CA THR A 9 16.051 13.647 -2.954 1.00 0.00 C ATOM 3 C THR A 9 14.825 12.742 -3.092 1.00 0.00 C ATOM 4 O THR A 9 13.698 13.188 -2.995 1.00 0.00 O ATOM 5 CB THR A 9 15.604 15.109 -2.898 1.00 0.00 C ATOM 6 OG1 THR A 9 16.700 15.950 -3.235 1.00 0.00 O ATOM 7 CG2 THR A 9 15.118 15.444 -1.488 1.00 0.00 C ATOM 0 HA THR A 9 16.586 13.396 -2.038 1.00 0.00 H new ATOM 0 HB THR A 9 14.791 15.267 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.541 15.476 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.800 16.486 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.278 14.799 -1.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.929 15.286 -0.777 1.00 0.00 H new ATOM 17 N PHE A 10 15.034 11.474 -3.314 1.00 0.00 N ATOM 18 CA PHE A 10 13.881 10.541 -3.457 1.00 0.00 C ATOM 19 C PHE A 10 13.725 9.721 -2.174 1.00 0.00 C ATOM 20 O PHE A 10 14.491 9.855 -1.241 1.00 0.00 O ATOM 21 CB PHE A 10 14.132 9.597 -4.634 1.00 0.00 C ATOM 22 CG PHE A 10 13.694 10.272 -5.937 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.827 11.640 -6.097 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.162 9.522 -6.969 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.433 12.246 -7.273 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.769 10.129 -8.144 1.00 0.00 C ATOM 27 CZ PHE A 10 12.906 11.492 -8.296 1.00 0.00 C ATOM 0 H PHE A 10 15.954 11.043 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 10 12.971 11.114 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.189 9.337 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.581 8.667 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.241 12.237 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.053 8.454 -6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.539 13.314 -7.390 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.354 9.536 -8.945 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.600 11.967 -9.216 1.00 0.00 H new ATOM 37 N VAL A 11 12.736 8.871 -2.120 1.00 0.00 N ATOM 38 CA VAL A 11 12.528 8.042 -0.899 1.00 0.00 C ATOM 39 C VAL A 11 12.484 6.565 -1.294 1.00 0.00 C ATOM 40 O VAL A 11 12.786 6.205 -2.414 1.00 0.00 O ATOM 41 CB VAL A 11 11.206 8.431 -0.230 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.302 8.170 1.274 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.927 9.917 -0.470 1.00 0.00 C ATOM 0 H VAL A 11 12.062 8.715 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 11 13.348 8.211 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 11 10.397 7.837 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.362 8.446 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.500 7.112 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.112 8.765 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.986 10.192 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.736 10.512 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.860 10.106 -1.541 1.00 0.00 H new ATOM 53 N ALA A 12 12.115 5.708 -0.385 1.00 0.00 N ATOM 54 CA ALA A 12 12.054 4.256 -0.718 1.00 0.00 C ATOM 55 C ALA A 12 10.627 3.743 -0.522 1.00 0.00 C ATOM 56 O ALA A 12 10.221 3.403 0.569 1.00 0.00 O ATOM 57 CB ALA A 12 13.004 3.480 0.194 1.00 0.00 C ATOM 0 H ALA A 12 11.854 5.947 0.571 1.00 0.00 H new ATOM 0 HA ALA A 12 12.351 4.113 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.958 2.419 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.022 3.842 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.710 3.625 1.234 1.00 0.00 H new ATOM 63 N LEU A 13 9.863 3.691 -1.576 1.00 0.00 N ATOM 64 CA LEU A 13 8.462 3.202 -1.463 1.00 0.00 C ATOM 65 C LEU A 13 8.443 1.822 -0.801 1.00 0.00 C ATOM 66 O LEU A 13 7.686 1.574 0.116 1.00 0.00 O ATOM 67 CB LEU A 13 7.853 3.084 -2.862 1.00 0.00 C ATOM 68 CG LEU A 13 7.054 4.344 -3.190 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.338 4.144 -4.527 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.020 4.596 -2.092 1.00 0.00 C ATOM 0 H LEU A 13 10.150 3.967 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 13 7.888 3.905 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.642 2.941 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.205 2.209 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 13 7.726 5.200 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.765 5.039 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.074 3.961 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.665 3.290 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.451 5.495 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.343 3.744 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.528 4.728 -1.137 1.00 0.00 H new ATOM 82 N TYR A 14 9.272 0.922 -1.258 1.00 0.00 N ATOM 83 CA TYR A 14 9.295 -0.440 -0.651 1.00 0.00 C ATOM 84 C TYR A 14 10.690 -0.758 -0.113 1.00 0.00 C ATOM 85 O TYR A 14 11.595 0.051 -0.178 1.00 0.00 O ATOM 86 CB TYR A 14 8.927 -1.469 -1.719 1.00 0.00 C ATOM 87 CG TYR A 14 7.472 -1.266 -2.138 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.148 -0.336 -3.102 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.466 -2.010 -1.559 1.00 0.00 C ATOM 90 CE1 TYR A 14 5.835 -0.151 -3.485 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.151 -1.827 -1.941 1.00 0.00 C ATOM 92 CZ TYR A 14 4.826 -0.896 -2.907 1.00 0.00 C ATOM 93 OH TYR A 14 3.513 -0.712 -3.289 1.00 0.00 O ATOM 0 H TYR A 14 9.931 1.070 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 14 8.580 -0.475 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.584 -1.364 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.068 -2.478 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.928 0.253 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.708 -2.741 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.595 0.581 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.372 -2.416 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 14 2.936 -1.320 -2.781 1.00 0.00 H new ATOM 103 N ASP A 15 10.866 -1.937 0.419 1.00 0.00 N ATOM 104 CA ASP A 15 12.196 -2.324 0.964 1.00 0.00 C ATOM 105 C ASP A 15 12.961 -3.120 -0.096 1.00 0.00 C ATOM 106 O ASP A 15 13.309 -4.266 0.110 1.00 0.00 O ATOM 107 CB ASP A 15 12.006 -3.188 2.213 1.00 0.00 C ATOM 108 CG ASP A 15 11.029 -4.323 1.903 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.286 -5.061 0.966 1.00 0.00 O ATOM 110 OD2 ASP A 15 10.040 -4.436 2.608 1.00 0.00 O ATOM 0 H ASP A 15 10.142 -2.651 0.499 1.00 0.00 H new ATOM 0 HA ASP A 15 12.758 -1.428 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.964 -3.596 2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.626 -2.580 3.034 1.00 0.00 H new ATOM 115 N TYR A 16 13.206 -2.519 -1.231 1.00 0.00 N ATOM 116 CA TYR A 16 13.948 -3.217 -2.328 1.00 0.00 C ATOM 117 C TYR A 16 15.023 -4.133 -1.739 1.00 0.00 C ATOM 118 O TYR A 16 15.899 -3.697 -1.019 1.00 0.00 O ATOM 119 CB TYR A 16 14.612 -2.170 -3.223 1.00 0.00 C ATOM 120 CG TYR A 16 15.534 -2.855 -4.234 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.262 -4.131 -4.684 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.647 -2.198 -4.718 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.093 -4.740 -5.605 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.475 -2.806 -5.638 1.00 0.00 C ATOM 125 CZ TYR A 16 17.205 -4.081 -6.089 1.00 0.00 C ATOM 126 OH TYR A 16 18.030 -4.686 -7.015 1.00 0.00 O ATOM 0 H TYR A 16 12.921 -1.564 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 16 13.249 -3.819 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.851 -1.591 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.183 -1.469 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.394 -4.657 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 16 16.871 -1.199 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.871 -5.739 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.342 -2.279 -6.008 1.00 0.00 H new ATOM 0 HH TYR A 16 18.613 -4.012 -7.423 1.00 0.00 H new ATOM 136 N GLU A 17 14.964 -5.402 -2.041 1.00 0.00 N ATOM 137 CA GLU A 17 15.980 -6.346 -1.501 1.00 0.00 C ATOM 138 C GLU A 17 16.518 -7.218 -2.637 1.00 0.00 C ATOM 139 O GLU A 17 16.027 -8.301 -2.887 1.00 0.00 O ATOM 140 CB GLU A 17 15.337 -7.235 -0.436 1.00 0.00 C ATOM 141 CG GLU A 17 16.427 -7.826 0.459 1.00 0.00 C ATOM 142 CD GLU A 17 16.762 -9.243 -0.012 1.00 0.00 C ATOM 143 OE1 GLU A 17 15.853 -10.054 -0.079 1.00 0.00 O ATOM 144 OE2 GLU A 17 17.921 -9.493 -0.299 1.00 0.00 O ATOM 0 H GLU A 17 14.254 -5.825 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 17 16.799 -5.782 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.635 -6.654 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.767 -8.034 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.319 -7.200 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.090 -7.846 1.495 1.00 0.00 H new ATOM 151 N SER A 18 17.524 -6.756 -3.330 1.00 0.00 N ATOM 152 CA SER A 18 18.089 -7.562 -4.450 1.00 0.00 C ATOM 153 C SER A 18 19.141 -8.531 -3.904 1.00 0.00 C ATOM 154 O SER A 18 19.337 -8.644 -2.709 1.00 0.00 O ATOM 155 CB SER A 18 18.734 -6.623 -5.477 1.00 0.00 C ATOM 156 OG SER A 18 20.090 -6.994 -5.686 1.00 0.00 O ATOM 0 H SER A 18 17.978 -5.857 -3.169 1.00 0.00 H new ATOM 0 HA SER A 18 17.292 -8.131 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.186 -6.668 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.680 -5.593 -5.125 1.00 0.00 H new ATOM 0 HG SER A 18 20.275 -7.028 -6.648 1.00 0.00 H new ATOM 162 N ARG A 19 19.820 -9.232 -4.771 1.00 0.00 N ATOM 163 CA ARG A 19 20.857 -10.195 -4.308 1.00 0.00 C ATOM 164 C ARG A 19 22.223 -9.775 -4.855 1.00 0.00 C ATOM 165 O ARG A 19 23.254 -10.199 -4.372 1.00 0.00 O ATOM 166 CB ARG A 19 20.514 -11.597 -4.814 1.00 0.00 C ATOM 167 CG ARG A 19 19.468 -12.231 -3.894 1.00 0.00 C ATOM 168 CD ARG A 19 18.080 -12.088 -4.523 1.00 0.00 C ATOM 169 NE ARG A 19 17.540 -13.439 -4.846 1.00 0.00 N ATOM 170 CZ ARG A 19 17.759 -13.966 -6.019 1.00 0.00 C ATOM 171 NH1 ARG A 19 18.940 -14.441 -6.312 1.00 0.00 N ATOM 172 NH2 ARG A 19 16.799 -14.018 -6.900 1.00 0.00 N ATOM 0 H ARG A 19 19.700 -9.178 -5.783 1.00 0.00 H new ATOM 0 HA ARG A 19 20.888 -10.200 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.132 -11.544 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.412 -12.215 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.700 -13.284 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.487 -11.748 -2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.409 -11.571 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.139 -11.482 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 19 16.999 -13.952 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.691 -14.400 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.111 -14.853 -7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.877 -13.647 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.970 -14.430 -7.817 1.00 0.00 H new ATOM 186 N THR A 20 22.238 -8.944 -5.861 1.00 0.00 N ATOM 187 CA THR A 20 23.537 -8.497 -6.440 1.00 0.00 C ATOM 188 C THR A 20 24.126 -7.381 -5.575 1.00 0.00 C ATOM 189 O THR A 20 23.411 -6.564 -5.029 1.00 0.00 O ATOM 190 CB THR A 20 23.312 -7.975 -7.862 1.00 0.00 C ATOM 191 OG1 THR A 20 21.929 -7.716 -8.057 1.00 0.00 O ATOM 192 CG2 THR A 20 23.786 -9.021 -8.872 1.00 0.00 C ATOM 0 H THR A 20 21.407 -8.555 -6.307 1.00 0.00 H new ATOM 0 HA THR A 20 24.229 -9.339 -6.468 1.00 0.00 H new ATOM 0 HB THR A 20 23.877 -7.054 -8.005 1.00 0.00 H new ATOM 0 HG1 THR A 20 21.793 -6.757 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.625 -8.649 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 20 24.848 -9.217 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 20 23.223 -9.944 -8.731 1.00 0.00 H new ATOM 200 N GLU A 21 25.424 -7.339 -5.446 1.00 0.00 N ATOM 201 CA GLU A 21 26.056 -6.275 -4.617 1.00 0.00 C ATOM 202 C GLU A 21 25.996 -4.942 -5.364 1.00 0.00 C ATOM 203 O GLU A 21 25.959 -3.885 -4.766 1.00 0.00 O ATOM 204 CB GLU A 21 27.517 -6.641 -4.346 1.00 0.00 C ATOM 205 CG GLU A 21 27.944 -6.067 -2.994 1.00 0.00 C ATOM 206 CD GLU A 21 28.622 -7.160 -2.166 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.353 -8.322 -2.421 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.398 -6.816 -1.289 1.00 0.00 O ATOM 0 H GLU A 21 26.074 -7.996 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 21 25.521 -6.186 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.638 -7.724 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.155 -6.248 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.628 -5.231 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.076 -5.678 -2.461 1.00 0.00 H new ATOM 215 N THR A 22 25.987 -4.983 -6.669 1.00 0.00 N ATOM 216 CA THR A 22 25.929 -3.717 -7.453 1.00 0.00 C ATOM 217 C THR A 22 24.775 -2.853 -6.944 1.00 0.00 C ATOM 218 O THR A 22 24.930 -1.673 -6.698 1.00 0.00 O ATOM 219 CB THR A 22 25.709 -4.044 -8.932 1.00 0.00 C ATOM 220 OG1 THR A 22 24.692 -5.028 -9.052 1.00 0.00 O ATOM 221 CG2 THR A 22 27.009 -4.572 -9.539 1.00 0.00 C ATOM 0 H THR A 22 26.017 -5.838 -7.225 1.00 0.00 H new ATOM 0 HA THR A 22 26.867 -3.174 -7.336 1.00 0.00 H new ATOM 0 HB THR A 22 25.405 -3.142 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.549 -5.237 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.851 -4.804 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.787 -3.814 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.317 -5.474 -9.011 1.00 0.00 H new ATOM 229 N ASP A 23 23.616 -3.430 -6.780 1.00 0.00 N ATOM 230 CA ASP A 23 22.455 -2.639 -6.286 1.00 0.00 C ATOM 231 C ASP A 23 22.379 -2.741 -4.762 1.00 0.00 C ATOM 232 O ASP A 23 22.545 -3.800 -4.192 1.00 0.00 O ATOM 233 CB ASP A 23 21.165 -3.187 -6.900 1.00 0.00 C ATOM 234 CG ASP A 23 21.447 -3.683 -8.320 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.538 -2.854 -9.209 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.565 -4.885 -8.494 1.00 0.00 O ATOM 0 H ASP A 23 23.424 -4.414 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 23 22.579 -1.595 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.776 -4.002 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.400 -2.410 -6.920 1.00 0.00 H new ATOM 241 N LEU A 24 22.129 -1.646 -4.098 1.00 0.00 N ATOM 242 CA LEU A 24 22.042 -1.677 -2.611 1.00 0.00 C ATOM 243 C LEU A 24 20.598 -1.949 -2.191 1.00 0.00 C ATOM 244 O LEU A 24 19.663 -1.590 -2.880 1.00 0.00 O ATOM 245 CB LEU A 24 22.493 -0.329 -2.045 1.00 0.00 C ATOM 246 CG LEU A 24 23.955 -0.081 -2.420 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.290 1.397 -2.218 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.861 -0.936 -1.532 1.00 0.00 C ATOM 0 H LEU A 24 21.981 -0.730 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 24 22.687 -2.466 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.865 0.471 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.378 -0.321 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 24 24.113 -0.349 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.332 1.574 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.645 2.006 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.133 1.666 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.903 -0.760 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.704 -0.669 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.623 -1.990 -1.677 1.00 0.00 H new ATOM 260 N SER A 25 20.406 -2.579 -1.066 1.00 0.00 N ATOM 261 CA SER A 25 19.026 -2.874 -0.603 1.00 0.00 C ATOM 262 C SER A 25 18.603 -1.833 0.436 1.00 0.00 C ATOM 263 O SER A 25 19.246 -1.664 1.454 1.00 0.00 O ATOM 264 CB SER A 25 18.997 -4.264 0.030 1.00 0.00 C ATOM 265 OG SER A 25 18.815 -5.242 -0.982 1.00 0.00 O ATOM 0 H SER A 25 21.149 -2.902 -0.447 1.00 0.00 H new ATOM 0 HA SER A 25 18.340 -2.840 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.927 -4.450 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.190 -4.326 0.760 1.00 0.00 H new ATOM 0 HG SER A 25 18.957 -6.135 -0.603 1.00 0.00 H new ATOM 271 N PHE A 26 17.530 -1.134 0.191 1.00 0.00 N ATOM 272 CA PHE A 26 17.075 -0.107 1.170 1.00 0.00 C ATOM 273 C PHE A 26 15.771 -0.566 1.826 1.00 0.00 C ATOM 274 O PHE A 26 15.264 -1.633 1.542 1.00 0.00 O ATOM 275 CB PHE A 26 16.848 1.230 0.458 1.00 0.00 C ATOM 276 CG PHE A 26 15.991 1.016 -0.792 1.00 0.00 C ATOM 277 CD1 PHE A 26 14.612 0.999 -0.700 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.584 0.856 -2.033 1.00 0.00 C ATOM 279 CE1 PHE A 26 13.837 0.826 -1.829 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.808 0.682 -3.161 1.00 0.00 C ATOM 281 CZ PHE A 26 14.434 0.667 -3.059 1.00 0.00 C ATOM 0 H PHE A 26 16.950 -1.229 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 26 17.841 0.021 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.355 1.931 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.805 1.672 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.137 1.122 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.661 0.867 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.760 0.815 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.278 0.557 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.827 0.531 -3.942 1.00 0.00 H new ATOM 291 N LYS A 27 15.224 0.233 2.701 1.00 0.00 N ATOM 292 CA LYS A 27 13.954 -0.157 3.376 1.00 0.00 C ATOM 293 C LYS A 27 12.969 1.014 3.329 1.00 0.00 C ATOM 294 O LYS A 27 13.358 2.165 3.325 1.00 0.00 O ATOM 295 CB LYS A 27 14.244 -0.522 4.834 1.00 0.00 C ATOM 296 CG LYS A 27 12.928 -0.623 5.610 1.00 0.00 C ATOM 297 CD LYS A 27 13.026 -1.756 6.634 1.00 0.00 C ATOM 298 CE LYS A 27 11.882 -1.631 7.642 1.00 0.00 C ATOM 299 NZ LYS A 27 12.353 -2.075 8.984 1.00 0.00 N ATOM 0 H LYS A 27 15.602 1.139 2.978 1.00 0.00 H new ATOM 0 HA LYS A 27 13.520 -1.016 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.780 -1.470 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.888 0.232 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.717 0.320 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.102 -0.809 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.977 -2.721 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.986 -1.713 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.536 -0.599 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.034 -2.237 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.576 -1.990 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.663 -3.066 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.149 -1.479 9.287 1.00 0.00 H new ATOM 313 N LYS A 28 11.695 0.730 3.294 1.00 0.00 N ATOM 314 CA LYS A 28 10.689 1.827 3.248 1.00 0.00 C ATOM 315 C LYS A 28 11.000 2.848 4.344 1.00 0.00 C ATOM 316 O LYS A 28 10.970 2.542 5.519 1.00 0.00 O ATOM 317 CB LYS A 28 9.288 1.247 3.467 1.00 0.00 C ATOM 318 CG LYS A 28 8.303 2.381 3.765 1.00 0.00 C ATOM 319 CD LYS A 28 6.877 1.827 3.806 1.00 0.00 C ATOM 320 CE LYS A 28 5.881 2.971 3.604 1.00 0.00 C ATOM 321 NZ LYS A 28 4.496 2.472 3.832 1.00 0.00 N ATOM 0 H LYS A 28 11.309 -0.214 3.295 1.00 0.00 H new ATOM 0 HA LYS A 28 10.728 2.317 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.968 0.698 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.302 0.538 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.549 2.849 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.381 3.154 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.745 1.074 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.694 1.335 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.103 3.786 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.972 3.373 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.820 3.250 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.287 1.708 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.413 2.109 4.803 1.00 0.00 H new ATOM 335 N GLY A 29 11.300 4.062 3.968 1.00 0.00 N ATOM 336 CA GLY A 29 11.613 5.102 4.987 1.00 0.00 C ATOM 337 C GLY A 29 13.068 5.551 4.834 1.00 0.00 C ATOM 338 O GLY A 29 13.537 6.417 5.545 1.00 0.00 O ATOM 0 H GLY A 29 11.342 4.378 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.945 5.955 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.448 4.705 5.989 1.00 0.00 H new ATOM 342 N GLU A 30 13.787 4.972 3.911 1.00 0.00 N ATOM 343 CA GLU A 30 15.210 5.370 3.717 1.00 0.00 C ATOM 344 C GLU A 30 15.292 6.509 2.699 1.00 0.00 C ATOM 345 O GLU A 30 14.755 6.424 1.612 1.00 0.00 O ATOM 346 CB GLU A 30 16.010 4.170 3.205 1.00 0.00 C ATOM 347 CG GLU A 30 17.264 3.990 4.063 1.00 0.00 C ATOM 348 CD GLU A 30 18.331 4.995 3.623 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.990 4.732 2.629 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.473 6.008 4.286 1.00 0.00 O ATOM 0 H GLU A 30 13.451 4.241 3.284 1.00 0.00 H new ATOM 0 HA GLU A 30 15.624 5.705 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.398 3.269 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.289 4.323 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.022 4.138 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.643 2.973 3.963 1.00 0.00 H new ATOM 357 N ARG A 31 15.959 7.577 3.043 1.00 0.00 N ATOM 358 CA ARG A 31 16.076 8.722 2.097 1.00 0.00 C ATOM 359 C ARG A 31 17.321 8.539 1.227 1.00 0.00 C ATOM 360 O ARG A 31 18.436 8.602 1.704 1.00 0.00 O ATOM 361 CB ARG A 31 16.195 10.027 2.887 1.00 0.00 C ATOM 362 CG ARG A 31 14.797 10.587 3.161 1.00 0.00 C ATOM 363 CD ARG A 31 14.914 11.834 4.042 1.00 0.00 C ATOM 364 NE ARG A 31 13.752 12.732 3.786 1.00 0.00 N ATOM 365 CZ ARG A 31 13.859 14.014 4.002 1.00 0.00 C ATOM 366 NH1 ARG A 31 14.289 14.448 5.154 1.00 0.00 N ATOM 367 NH2 ARG A 31 13.536 14.862 3.065 1.00 0.00 N ATOM 0 H ARG A 31 16.428 7.706 3.939 1.00 0.00 H new ATOM 0 HA ARG A 31 15.191 8.760 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 31 16.718 9.849 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 31 16.785 10.752 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.302 10.836 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.182 9.835 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.942 11.548 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.846 12.357 3.829 1.00 0.00 H new ATOM 0 HE ARG A 31 12.874 12.344 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.542 13.785 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.373 15.451 5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.200 14.523 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.620 15.865 3.234 1.00 0.00 H new ATOM 381 N LEU A 32 17.142 8.314 -0.046 1.00 0.00 N ATOM 382 CA LEU A 32 18.318 8.128 -0.941 1.00 0.00 C ATOM 383 C LEU A 32 18.442 9.331 -1.879 1.00 0.00 C ATOM 384 O LEU A 32 17.498 10.068 -2.085 1.00 0.00 O ATOM 385 CB LEU A 32 18.135 6.853 -1.768 1.00 0.00 C ATOM 386 CG LEU A 32 17.646 5.722 -0.861 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.149 5.500 -1.084 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.407 4.437 -1.193 1.00 0.00 C ATOM 0 H LEU A 32 16.233 8.251 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 32 19.222 8.043 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.417 7.027 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.078 6.574 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 32 17.822 5.990 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.800 4.694 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.606 6.415 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.972 5.232 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.059 3.631 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.231 4.169 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.474 4.594 -1.034 1.00 0.00 H new ATOM 400 N GLN A 33 19.598 9.535 -2.447 1.00 0.00 N ATOM 401 CA GLN A 33 19.781 10.691 -3.370 1.00 0.00 C ATOM 402 C GLN A 33 19.871 10.184 -4.811 1.00 0.00 C ATOM 403 O GLN A 33 20.915 9.755 -5.263 1.00 0.00 O ATOM 404 CB GLN A 33 21.071 11.430 -3.009 1.00 0.00 C ATOM 405 CG GLN A 33 20.744 12.603 -2.083 1.00 0.00 C ATOM 406 CD GLN A 33 20.064 13.712 -2.888 1.00 0.00 C ATOM 407 OE1 GLN A 33 19.072 14.269 -2.459 1.00 0.00 O ATOM 408 NE2 GLN A 33 20.558 14.059 -4.044 1.00 0.00 N ATOM 0 H GLN A 33 20.424 8.952 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 33 18.933 11.370 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.768 10.750 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.561 11.792 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.091 12.272 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.656 12.981 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.390 13.592 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 20.112 14.798 -4.588 1.00 0.00 H new ATOM 417 N ILE A 34 18.788 10.230 -5.537 1.00 0.00 N ATOM 418 CA ILE A 34 18.814 9.751 -6.949 1.00 0.00 C ATOM 419 C ILE A 34 20.069 10.285 -7.643 1.00 0.00 C ATOM 420 O ILE A 34 20.627 11.289 -7.250 1.00 0.00 O ATOM 421 CB ILE A 34 17.572 10.257 -7.683 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.317 9.760 -6.965 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.580 9.726 -9.118 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.338 8.231 -6.907 1.00 0.00 C ATOM 0 H ILE A 34 17.886 10.579 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 34 18.825 8.661 -6.963 1.00 0.00 H new ATOM 0 HB ILE A 34 17.576 11.347 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.273 10.173 -5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.425 10.103 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.695 10.085 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.475 10.078 -9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.575 8.636 -9.103 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.444 7.874 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.362 7.829 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.223 7.900 -6.364 1.00 0.00 H new ATOM 436 N VAL A 35 20.516 9.620 -8.674 1.00 0.00 N ATOM 437 CA VAL A 35 21.734 10.093 -9.390 1.00 0.00 C ATOM 438 C VAL A 35 21.378 10.430 -10.838 1.00 0.00 C ATOM 439 O VAL A 35 21.598 11.531 -11.303 1.00 0.00 O ATOM 440 CB VAL A 35 22.797 8.993 -9.369 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.035 9.467 -10.133 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.181 8.684 -7.920 1.00 0.00 C ATOM 0 H VAL A 35 20.091 8.772 -9.050 1.00 0.00 H new ATOM 0 HA VAL A 35 22.122 10.984 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 35 22.400 8.094 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.793 8.684 -10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.763 9.690 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.432 10.365 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.938 7.900 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.579 9.583 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.300 8.348 -7.374 1.00 0.00 H new ATOM 452 N ASN A 36 20.827 9.491 -11.551 1.00 0.00 N ATOM 453 CA ASN A 36 20.455 9.750 -12.970 1.00 0.00 C ATOM 454 C ASN A 36 19.180 8.975 -13.315 1.00 0.00 C ATOM 455 O ASN A 36 18.443 8.561 -12.444 1.00 0.00 O ATOM 456 CB ASN A 36 21.596 9.287 -13.878 1.00 0.00 C ATOM 457 CG ASN A 36 22.277 10.504 -14.505 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.618 11.400 -14.994 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.581 10.574 -14.513 1.00 0.00 N ATOM 0 H ASN A 36 20.617 8.552 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 36 20.278 10.816 -13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.319 8.708 -13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.210 8.631 -14.658 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.046 11.381 -14.930 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.135 9.822 -14.103 1.00 0.00 H new ATOM 466 N ASN A 37 18.910 8.785 -14.579 1.00 0.00 N ATOM 467 CA ASN A 37 17.682 8.036 -14.977 1.00 0.00 C ATOM 468 C ASN A 37 16.450 8.660 -14.317 1.00 0.00 C ATOM 469 O ASN A 37 16.089 8.320 -13.208 1.00 0.00 O ATOM 470 CB ASN A 37 17.815 6.579 -14.536 1.00 0.00 C ATOM 471 CG ASN A 37 19.244 6.096 -14.794 1.00 0.00 C ATOM 472 OD1 ASN A 37 19.571 5.688 -15.891 1.00 0.00 O ATOM 473 ND2 ASN A 37 20.116 6.125 -13.823 1.00 0.00 N ATOM 0 H ASN A 37 19.486 9.116 -15.353 1.00 0.00 H new ATOM 0 HA ASN A 37 17.567 8.084 -16.060 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.574 6.485 -13.477 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.105 5.957 -15.081 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.071 5.805 -13.985 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.842 6.467 -12.902 1.00 0.00 H new ATOM 480 N THR A 38 15.802 9.571 -14.991 1.00 0.00 N ATOM 481 CA THR A 38 14.592 10.217 -14.406 1.00 0.00 C ATOM 482 C THR A 38 13.348 9.417 -14.802 1.00 0.00 C ATOM 483 O THR A 38 12.382 9.347 -14.068 1.00 0.00 O ATOM 484 CB THR A 38 14.470 11.648 -14.935 1.00 0.00 C ATOM 485 OG1 THR A 38 13.425 12.318 -14.245 1.00 0.00 O ATOM 486 CG2 THR A 38 14.158 11.616 -16.432 1.00 0.00 C ATOM 0 H THR A 38 16.059 9.896 -15.923 1.00 0.00 H new ATOM 0 HA THR A 38 14.680 10.240 -13.320 1.00 0.00 H new ATOM 0 HB THR A 38 15.409 12.177 -14.774 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.346 13.235 -14.581 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.071 12.636 -16.807 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.961 11.102 -16.960 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.219 11.088 -16.597 1.00 0.00 H new ATOM 494 N GLU A 39 13.368 8.814 -15.959 1.00 0.00 N ATOM 495 CA GLU A 39 12.193 8.017 -16.411 1.00 0.00 C ATOM 496 C GLU A 39 11.865 6.954 -15.365 1.00 0.00 C ATOM 497 O GLU A 39 12.341 6.999 -14.251 1.00 0.00 O ATOM 498 CB GLU A 39 12.528 7.337 -17.740 1.00 0.00 C ATOM 499 CG GLU A 39 13.316 8.303 -18.628 1.00 0.00 C ATOM 500 CD GLU A 39 14.754 7.803 -18.774 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.955 6.603 -18.683 1.00 0.00 O ATOM 502 OE2 GLU A 39 15.630 8.627 -18.974 1.00 0.00 O ATOM 0 H GLU A 39 14.150 8.839 -16.613 1.00 0.00 H new ATOM 0 HA GLU A 39 11.333 8.674 -16.541 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.111 6.434 -17.561 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.612 7.030 -18.244 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.845 8.380 -19.608 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.309 9.302 -18.192 1.00 0.00 H new ATOM 509 N GLY A 40 11.047 6.001 -15.717 1.00 0.00 N ATOM 510 CA GLY A 40 10.684 4.929 -14.746 1.00 0.00 C ATOM 511 C GLY A 40 11.395 3.631 -15.135 1.00 0.00 C ATOM 512 O GLY A 40 10.975 2.927 -16.031 1.00 0.00 O ATOM 0 H GLY A 40 10.613 5.918 -16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.970 5.225 -13.737 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.605 4.778 -14.740 1.00 0.00 H new ATOM 516 N ASP A 41 12.469 3.307 -14.464 1.00 0.00 N ATOM 517 CA ASP A 41 13.210 2.057 -14.794 1.00 0.00 C ATOM 518 C ASP A 41 14.082 1.651 -13.598 1.00 0.00 C ATOM 519 O ASP A 41 13.589 1.181 -12.594 1.00 0.00 O ATOM 520 CB ASP A 41 14.099 2.306 -16.014 1.00 0.00 C ATOM 521 CG ASP A 41 13.231 2.655 -17.225 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.638 1.747 -17.785 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.174 3.823 -17.572 1.00 0.00 O ATOM 0 H ASP A 41 12.865 3.856 -13.701 1.00 0.00 H new ATOM 0 HA ASP A 41 12.503 1.257 -15.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.796 3.119 -15.808 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.697 1.420 -16.227 1.00 0.00 H new ATOM 528 N TRP A 42 15.375 1.825 -13.700 1.00 0.00 N ATOM 529 CA TRP A 42 16.276 1.455 -12.578 1.00 0.00 C ATOM 530 C TRP A 42 17.335 2.541 -12.454 1.00 0.00 C ATOM 531 O TRP A 42 18.431 2.427 -12.965 1.00 0.00 O ATOM 532 CB TRP A 42 16.926 0.105 -12.867 1.00 0.00 C ATOM 533 CG TRP A 42 15.832 -0.960 -12.890 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.931 -1.112 -13.874 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.588 -1.826 -11.911 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.148 -2.097 -13.434 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.485 -2.601 -12.216 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.258 -2.016 -10.719 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.055 -3.564 -11.326 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.826 -2.979 -9.831 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.725 -3.753 -10.135 1.00 0.00 C ATOM 0 H TRP A 42 15.844 2.210 -14.520 1.00 0.00 H new ATOM 0 HA TRP A 42 15.719 1.371 -11.645 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.449 0.133 -13.823 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.668 -0.130 -12.104 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.858 -0.565 -14.803 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.355 -2.447 -13.971 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.120 -1.411 -10.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.193 -4.170 -11.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.349 -3.127 -8.898 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.387 -4.508 -9.440 1.00 0.00 H new ATOM 552 N TRP A 43 17.003 3.595 -11.774 1.00 0.00 N ATOM 553 CA TRP A 43 17.960 4.717 -11.596 1.00 0.00 C ATOM 554 C TRP A 43 18.973 4.376 -10.503 1.00 0.00 C ATOM 555 O TRP A 43 18.726 3.548 -9.651 1.00 0.00 O ATOM 556 CB TRP A 43 17.174 5.966 -11.196 1.00 0.00 C ATOM 557 CG TRP A 43 15.785 5.927 -11.846 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.525 5.495 -13.098 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.656 6.336 -11.264 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.212 5.676 -13.224 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.590 6.192 -12.132 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.445 6.837 -9.994 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.319 6.552 -11.731 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.173 7.194 -9.595 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.111 7.052 -10.463 1.00 0.00 C ATOM 0 H TRP A 43 16.096 3.730 -11.327 1.00 0.00 H new ATOM 0 HA TRP A 43 18.499 4.893 -12.527 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.078 6.016 -10.111 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.709 6.862 -11.511 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.218 5.097 -13.825 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.709 5.444 -14.080 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.276 6.949 -9.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.487 6.442 -12.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.009 7.585 -8.602 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.116 7.332 -10.150 1.00 0.00 H new ATOM 576 N LEU A 44 20.114 5.008 -10.525 1.00 0.00 N ATOM 577 CA LEU A 44 21.144 4.723 -9.490 1.00 0.00 C ATOM 578 C LEU A 44 20.998 5.726 -8.344 1.00 0.00 C ATOM 579 O LEU A 44 20.874 6.915 -8.560 1.00 0.00 O ATOM 580 CB LEU A 44 22.537 4.855 -10.107 1.00 0.00 C ATOM 581 CG LEU A 44 23.588 4.433 -9.079 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.583 2.910 -8.943 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.968 4.901 -9.546 1.00 0.00 C ATOM 0 H LEU A 44 20.377 5.710 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 44 21.010 3.710 -9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.613 4.232 -10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.712 5.884 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 44 23.358 4.883 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.332 2.608 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.598 2.577 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.815 2.458 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.720 4.602 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.199 4.448 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.970 5.986 -9.645 1.00 0.00 H new ATOM 595 N ALA A 45 21.013 5.257 -7.127 1.00 0.00 N ATOM 596 CA ALA A 45 20.874 6.188 -5.974 1.00 0.00 C ATOM 597 C ALA A 45 22.188 6.230 -5.190 1.00 0.00 C ATOM 598 O ALA A 45 22.989 5.320 -5.251 1.00 0.00 O ATOM 599 CB ALA A 45 19.747 5.704 -5.060 1.00 0.00 C ATOM 0 H ALA A 45 21.115 4.272 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 45 20.639 7.187 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.645 6.386 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.812 5.676 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.980 4.704 -4.693 1.00 0.00 H new ATOM 605 N HIS A 46 22.412 7.281 -4.452 1.00 0.00 N ATOM 606 CA HIS A 46 23.671 7.387 -3.663 1.00 0.00 C ATOM 607 C HIS A 46 23.318 7.695 -2.202 1.00 0.00 C ATOM 608 O HIS A 46 22.545 8.588 -1.915 1.00 0.00 O ATOM 609 CB HIS A 46 24.539 8.504 -4.271 1.00 0.00 C ATOM 610 CG HIS A 46 25.343 9.234 -3.189 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.609 9.252 -3.107 1.00 0.00 N ATOM 612 CD2 HIS A 46 24.907 10.010 -2.130 1.00 0.00 C ATOM 613 CE1 HIS A 46 26.986 9.961 -2.111 1.00 0.00 C ATOM 614 NE2 HIS A 46 25.964 10.473 -1.444 1.00 0.00 N ATOM 0 H HIS A 46 21.776 8.073 -4.361 1.00 0.00 H new ATOM 0 HA HIS A 46 24.230 6.452 -3.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.220 8.078 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 46 23.903 9.216 -4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 46 23.873 10.213 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 46 28.020 10.123 -1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 46 25.976 11.069 -0.617 1.00 0.00 H new ATOM 622 N SER A 47 23.876 6.958 -1.278 1.00 0.00 N ATOM 623 CA SER A 47 23.572 7.209 0.160 1.00 0.00 C ATOM 624 C SER A 47 24.400 8.395 0.657 1.00 0.00 C ATOM 625 O SER A 47 25.452 8.695 0.129 1.00 0.00 O ATOM 626 CB SER A 47 23.922 5.965 0.980 1.00 0.00 C ATOM 627 OG SER A 47 23.008 4.923 0.671 1.00 0.00 O ATOM 0 H SER A 47 24.528 6.194 -1.457 1.00 0.00 H new ATOM 0 HA SER A 47 22.511 7.433 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.941 5.646 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.882 6.195 2.045 1.00 0.00 H new ATOM 0 HG SER A 47 23.232 4.125 1.194 1.00 0.00 H new ATOM 633 N LEU A 48 23.934 9.072 1.670 1.00 0.00 N ATOM 634 CA LEU A 48 24.696 10.238 2.199 1.00 0.00 C ATOM 635 C LEU A 48 25.658 9.772 3.292 1.00 0.00 C ATOM 636 O LEU A 48 25.717 10.339 4.365 1.00 0.00 O ATOM 637 CB LEU A 48 23.720 11.261 2.782 1.00 0.00 C ATOM 638 CG LEU A 48 22.610 11.541 1.768 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.742 12.697 2.269 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.232 11.917 0.421 1.00 0.00 C ATOM 0 H LEU A 48 23.059 8.869 2.154 1.00 0.00 H new ATOM 0 HA LEU A 48 25.265 10.695 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.292 10.883 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.246 12.184 3.026 1.00 0.00 H new ATOM 0 HG LEU A 48 21.994 10.650 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.951 12.897 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.299 12.430 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.357 13.589 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.441 12.117 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.848 12.808 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 23.851 11.094 0.064 1.00 0.00 H new ATOM 652 N THR A 49 26.415 8.741 3.030 1.00 0.00 N ATOM 653 CA THR A 49 27.371 8.243 4.058 1.00 0.00 C ATOM 654 C THR A 49 28.747 8.035 3.416 1.00 0.00 C ATOM 655 O THR A 49 29.495 8.973 3.221 1.00 0.00 O ATOM 656 CB THR A 49 26.856 6.920 4.634 1.00 0.00 C ATOM 657 OG1 THR A 49 25.633 7.148 5.319 1.00 0.00 O ATOM 658 CG2 THR A 49 27.890 6.348 5.605 1.00 0.00 C ATOM 0 H THR A 49 26.412 8.224 2.151 1.00 0.00 H new ATOM 0 HA THR A 49 27.459 8.973 4.863 1.00 0.00 H new ATOM 0 HB THR A 49 26.691 6.210 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 49 25.301 6.302 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 49 27.523 5.407 6.014 1.00 0.00 H new ATOM 0 HG22 THR A 49 28.827 6.173 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 49 28.058 7.056 6.417 1.00 0.00 H new ATOM 666 N THR A 50 29.093 6.819 3.085 1.00 0.00 N ATOM 667 CA THR A 50 30.423 6.569 2.458 1.00 0.00 C ATOM 668 C THR A 50 30.295 6.666 0.937 1.00 0.00 C ATOM 669 O THR A 50 30.827 5.852 0.208 1.00 0.00 O ATOM 670 CB THR A 50 30.912 5.170 2.842 1.00 0.00 C ATOM 671 OG1 THR A 50 30.054 4.626 3.834 1.00 0.00 O ATOM 672 CG2 THR A 50 32.338 5.259 3.388 1.00 0.00 C ATOM 0 H THR A 50 28.514 5.991 3.221 1.00 0.00 H new ATOM 0 HA THR A 50 31.138 7.313 2.810 1.00 0.00 H new ATOM 0 HB THR A 50 30.903 4.526 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 50 30.365 3.730 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 50 32.686 4.263 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 50 32.995 5.676 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 50 32.351 5.902 4.268 1.00 0.00 H new ATOM 680 N GLY A 51 29.593 7.653 0.450 1.00 0.00 N ATOM 681 CA GLY A 51 29.435 7.797 -1.024 1.00 0.00 C ATOM 682 C GLY A 51 29.130 6.429 -1.635 1.00 0.00 C ATOM 683 O GLY A 51 29.685 6.051 -2.647 1.00 0.00 O ATOM 0 H GLY A 51 29.123 8.365 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.629 8.496 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.345 8.208 -1.461 1.00 0.00 H new ATOM 687 N GLN A 52 28.248 5.684 -1.026 1.00 0.00 N ATOM 688 CA GLN A 52 27.906 4.340 -1.568 1.00 0.00 C ATOM 689 C GLN A 52 27.000 4.492 -2.792 1.00 0.00 C ATOM 690 O GLN A 52 26.418 5.534 -3.023 1.00 0.00 O ATOM 691 CB GLN A 52 27.177 3.529 -0.494 1.00 0.00 C ATOM 692 CG GLN A 52 28.191 3.003 0.523 1.00 0.00 C ATOM 693 CD GLN A 52 28.442 1.515 0.269 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.973 0.966 -0.708 1.00 0.00 O ATOM 695 NE2 GLN A 52 29.167 0.836 1.115 1.00 0.00 N ATOM 0 H GLN A 52 27.750 5.949 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 52 28.822 3.825 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.434 4.151 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 26.641 2.698 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 52 29.125 3.559 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.817 3.152 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.560 1.298 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.340 -0.157 0.956 1.00 0.00 H new ATOM 704 N THR A 53 26.877 3.458 -3.577 1.00 0.00 N ATOM 705 CA THR A 53 26.013 3.534 -4.788 1.00 0.00 C ATOM 706 C THR A 53 25.166 2.261 -4.877 1.00 0.00 C ATOM 707 O THR A 53 25.663 1.164 -4.718 1.00 0.00 O ATOM 708 CB THR A 53 26.896 3.654 -6.035 1.00 0.00 C ATOM 709 OG1 THR A 53 27.420 4.973 -6.116 1.00 0.00 O ATOM 710 CG2 THR A 53 26.067 3.356 -7.286 1.00 0.00 C ATOM 0 H THR A 53 27.339 2.561 -3.431 1.00 0.00 H new ATOM 0 HA THR A 53 25.360 4.404 -4.724 1.00 0.00 H new ATOM 0 HB THR A 53 27.715 2.938 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.986 5.052 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.699 3.442 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.666 2.344 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.245 4.069 -7.356 1.00 0.00 H new ATOM 718 N GLY A 54 23.893 2.395 -5.133 1.00 0.00 N ATOM 719 CA GLY A 54 23.027 1.186 -5.231 1.00 0.00 C ATOM 720 C GLY A 54 21.817 1.486 -6.118 1.00 0.00 C ATOM 721 O GLY A 54 21.033 2.371 -5.839 1.00 0.00 O ATOM 0 H GLY A 54 23.417 3.285 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.595 0.353 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.695 0.883 -4.238 1.00 0.00 H new ATOM 725 N TYR A 55 21.660 0.753 -7.187 1.00 0.00 N ATOM 726 CA TYR A 55 20.503 0.994 -8.094 1.00 0.00 C ATOM 727 C TYR A 55 19.202 0.632 -7.367 1.00 0.00 C ATOM 728 O TYR A 55 19.160 -0.285 -6.572 1.00 0.00 O ATOM 729 CB TYR A 55 20.648 0.119 -9.342 1.00 0.00 C ATOM 730 CG TYR A 55 21.284 0.935 -10.471 1.00 0.00 C ATOM 731 CD1 TYR A 55 20.506 1.739 -11.279 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.645 0.872 -10.702 1.00 0.00 C ATOM 733 CE1 TYR A 55 21.079 2.469 -12.301 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.216 1.601 -11.725 1.00 0.00 C ATOM 735 CZ TYR A 55 22.437 2.405 -12.532 1.00 0.00 C ATOM 736 OH TYR A 55 23.009 3.134 -13.556 1.00 0.00 O ATOM 0 H TYR A 55 22.284 -0.003 -7.471 1.00 0.00 H new ATOM 0 HA TYR A 55 20.478 2.044 -8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.264 -0.752 -9.118 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.672 -0.252 -9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.441 1.798 -11.110 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.266 0.248 -10.077 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.459 3.095 -12.925 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.281 1.542 -11.895 1.00 0.00 H new ATOM 0 HH TYR A 55 23.975 2.970 -13.574 1.00 0.00 H new ATOM 746 N ILE A 56 18.142 1.347 -7.633 1.00 0.00 N ATOM 747 CA ILE A 56 16.847 1.046 -6.961 1.00 0.00 C ATOM 748 C ILE A 56 15.726 1.033 -8.009 1.00 0.00 C ATOM 749 O ILE A 56 15.723 1.842 -8.914 1.00 0.00 O ATOM 750 CB ILE A 56 16.550 2.121 -5.907 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.203 3.446 -6.593 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.781 2.314 -5.012 1.00 0.00 C ATOM 753 CD1 ILE A 56 17.473 4.083 -7.156 1.00 0.00 C ATOM 0 H ILE A 56 18.118 2.128 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 56 16.907 0.073 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 56 15.703 1.801 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.485 3.274 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.730 4.122 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.570 3.078 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.020 1.374 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.628 2.628 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 56 17.222 5.025 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 56 18.177 4.270 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.927 3.409 -7.882 1.00 0.00 H new ATOM 765 N PRO A 57 14.808 0.109 -7.861 1.00 0.00 N ATOM 766 CA PRO A 57 13.676 -0.018 -8.795 1.00 0.00 C ATOM 767 C PRO A 57 12.846 1.270 -8.790 1.00 0.00 C ATOM 768 O PRO A 57 12.608 1.864 -7.756 1.00 0.00 O ATOM 769 CB PRO A 57 12.857 -1.202 -8.265 1.00 0.00 C ATOM 770 CG PRO A 57 13.585 -1.755 -7.012 1.00 0.00 C ATOM 771 CD PRO A 57 14.825 -0.878 -6.767 1.00 0.00 C ATOM 0 HA PRO A 57 13.997 -0.180 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.846 -0.884 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.766 -1.976 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.924 -1.734 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.876 -2.794 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.779 -0.390 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.739 -1.471 -6.783 1.00 0.00 H new ATOM 779 N SER A 58 12.404 1.704 -9.938 1.00 0.00 N ATOM 780 CA SER A 58 11.593 2.951 -10.008 1.00 0.00 C ATOM 781 C SER A 58 10.242 2.726 -9.328 1.00 0.00 C ATOM 782 O SER A 58 9.659 3.635 -8.770 1.00 0.00 O ATOM 783 CB SER A 58 11.366 3.326 -11.473 1.00 0.00 C ATOM 784 OG SER A 58 10.090 2.864 -11.890 1.00 0.00 O ATOM 0 H SER A 58 12.571 1.246 -10.834 1.00 0.00 H new ATOM 0 HA SER A 58 12.124 3.756 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.431 4.407 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.145 2.887 -12.096 1.00 0.00 H new ATOM 0 HG SER A 58 9.945 3.106 -12.828 1.00 0.00 H new ATOM 790 N ASN A 59 9.739 1.525 -9.369 1.00 0.00 N ATOM 791 CA ASN A 59 8.427 1.247 -8.725 1.00 0.00 C ATOM 792 C ASN A 59 8.616 1.130 -7.211 1.00 0.00 C ATOM 793 O ASN A 59 7.663 1.065 -6.461 1.00 0.00 O ATOM 794 CB ASN A 59 7.859 -0.062 -9.274 1.00 0.00 C ATOM 795 CG ASN A 59 8.660 -1.240 -8.719 1.00 0.00 C ATOM 796 OD1 ASN A 59 9.802 -1.086 -8.336 1.00 0.00 O ATOM 797 ND2 ASN A 59 8.105 -2.419 -8.658 1.00 0.00 N ATOM 0 H ASN A 59 10.180 0.724 -9.821 1.00 0.00 H new ATOM 0 HA ASN A 59 7.735 2.061 -8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.809 -0.160 -8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.902 -0.061 -10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.630 -3.211 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.146 -2.548 -8.980 1.00 0.00 H new ATOM 804 N TYR A 60 9.839 1.102 -6.754 1.00 0.00 N ATOM 805 CA TYR A 60 10.077 0.990 -5.288 1.00 0.00 C ATOM 806 C TYR A 60 10.570 2.330 -4.742 1.00 0.00 C ATOM 807 O TYR A 60 10.981 2.431 -3.603 1.00 0.00 O ATOM 808 CB TYR A 60 11.125 -0.093 -5.018 1.00 0.00 C ATOM 809 CG TYR A 60 10.462 -1.475 -5.035 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.170 -1.634 -5.500 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.151 -2.586 -4.590 1.00 0.00 C ATOM 812 CE1 TYR A 60 8.579 -2.881 -5.517 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.559 -3.832 -4.607 1.00 0.00 C ATOM 814 CZ TYR A 60 9.269 -3.989 -5.070 1.00 0.00 C ATOM 815 OH TYR A 60 8.677 -5.236 -5.088 1.00 0.00 O ATOM 0 H TYR A 60 10.679 1.152 -7.330 1.00 0.00 H new ATOM 0 HA TYR A 60 9.144 0.721 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.911 -0.047 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.600 0.081 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.618 -0.775 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.162 -2.479 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.569 -2.990 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.110 -4.692 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 60 9.306 -5.902 -4.739 1.00 0.00 H new ATOM 825 N VAL A 61 10.531 3.360 -5.546 1.00 0.00 N ATOM 826 CA VAL A 61 10.996 4.696 -5.074 1.00 0.00 C ATOM 827 C VAL A 61 10.099 5.782 -5.670 1.00 0.00 C ATOM 828 O VAL A 61 9.332 5.541 -6.581 1.00 0.00 O ATOM 829 CB VAL A 61 12.450 4.927 -5.509 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.644 4.437 -6.946 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.797 6.418 -5.431 1.00 0.00 C ATOM 0 H VAL A 61 10.197 3.333 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 61 10.942 4.735 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 61 13.107 4.371 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.677 4.603 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.416 3.373 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.977 4.986 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.831 6.568 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.135 6.981 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.672 6.767 -4.406 1.00 0.00 H new ATOM 841 N ALA A 62 10.193 6.977 -5.159 1.00 0.00 N ATOM 842 CA ALA A 62 9.350 8.084 -5.690 1.00 0.00 C ATOM 843 C ALA A 62 10.008 9.430 -5.365 1.00 0.00 C ATOM 844 O ALA A 62 10.642 9.573 -4.338 1.00 0.00 O ATOM 845 CB ALA A 62 7.964 8.027 -5.044 1.00 0.00 C ATOM 0 H ALA A 62 10.818 7.236 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 62 9.252 7.978 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.348 8.837 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.494 7.071 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.062 8.132 -3.963 1.00 0.00 H new ATOM 851 N PRO A 63 9.835 10.378 -6.252 1.00 0.00 N ATOM 852 CA PRO A 63 10.406 11.725 -6.080 1.00 0.00 C ATOM 853 C PRO A 63 9.814 12.394 -4.836 1.00 0.00 C ATOM 854 O PRO A 63 8.624 12.629 -4.753 1.00 0.00 O ATOM 855 CB PRO A 63 10.000 12.490 -7.347 1.00 0.00 C ATOM 856 CG PRO A 63 9.158 11.529 -8.227 1.00 0.00 C ATOM 857 CD PRO A 63 9.063 10.182 -7.493 1.00 0.00 C ATOM 0 HA PRO A 63 11.487 11.703 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.423 13.378 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.883 12.830 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.164 11.941 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.623 11.400 -9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.027 9.920 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.478 9.373 -8.094 1.00 0.00 H new ATOM 865 N SER A 64 10.633 12.703 -3.868 1.00 0.00 N ATOM 866 CA SER A 64 10.115 13.355 -2.633 1.00 0.00 C ATOM 867 C SER A 64 11.240 13.461 -1.601 1.00 0.00 C ATOM 868 O SER A 64 11.731 14.559 -1.400 1.00 0.00 O ATOM 869 CB SER A 64 8.970 12.519 -2.058 1.00 0.00 C ATOM 870 OG SER A 64 7.734 13.170 -2.312 1.00 0.00 O ATOM 871 OXT SER A 64 11.591 12.441 -1.031 1.00 0.00 O ATOM 0 H SER A 64 11.638 12.532 -3.879 1.00 0.00 H new ATOM 0 HA SER A 64 9.750 14.353 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.969 11.526 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.108 12.383 -0.985 1.00 0.00 H new ATOM 0 HG SER A 64 7.593 13.239 -3.279 1.00 0.00 H new