USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 757 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 22 THR OG1 : rot 180:sc= -0.205 USER MOD Set 1.2: A 55 GLN : amide:sc= -4.04! C(o=-4.2!,f=-5.7!) USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.0528 USER MOD Set 2.2: A 35 SER OG : rot 131:sc= -1.23 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 88:sc= 0.703 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 20 CYS SG : rot -122:sc= 0.625 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 24 SER OG : rot 180:sc= -0.119 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.825 F(o=-2.2,f=-0.83) USER MOD Single : A 29 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 30 GLN : amide:sc= -2.31 K(o=-2.3,f=-5.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000273 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 36 ASN :FLIP amide:sc= -2.52 F(o=-3.4,f=-2.5) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.48 K(o=-1.5,f=-3!) USER MOD Single : A 72 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 77 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-4.7) USER MOD Single : A 81 SER OG : rot -29:sc= 0.915 USER MOD Single : A 83 SER OG : rot 149:sc= -1.33! USER MOD Single : A 89 SER OG : rot -63:sc= 1.25 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.003 -0.025 0.188 1.00 13.32 N ATOM 2 CA PRO A 1 1.704 0.007 -1.099 1.00 33.41 C ATOM 3 C PRO A 1 1.575 -1.308 -1.861 1.00 4.00 C ATOM 4 O PRO A 1 0.934 -2.249 -1.392 1.00 61.30 O ATOM 5 CB PRO A 1 3.161 0.255 -0.703 1.00 43.20 C ATOM 6 CG PRO A 1 3.271 -0.271 0.687 1.00 43.54 C ATOM 7 CD PRO A 1 1.934 -0.026 1.329 1.00 71.01 C ATOM 0 H2 PRO A 1 0.413 -0.856 0.232 1.00 13.32 H new ATOM 0 H3 PRO A 1 0.385 0.783 0.257 1.00 13.32 H new ATOM 0 HA PRO A 1 1.295 0.765 -1.768 1.00 33.41 H new ATOM 0 HB2 PRO A 1 3.847 -0.259 -1.376 1.00 43.20 H new ATOM 0 HB3 PRO A 1 3.408 1.316 -0.745 1.00 43.20 H new ATOM 0 HG2 PRO A 1 3.514 -1.334 0.684 1.00 43.54 H new ATOM 0 HG3 PRO A 1 4.066 0.236 1.234 1.00 43.54 H new ATOM 0 HD2 PRO A 1 1.686 -0.805 2.050 1.00 71.01 H new ATOM 0 HD3 PRO A 1 1.913 0.923 1.865 1.00 71.01 H new ATOM 15 N LEU A 2 2.189 -1.366 -3.038 1.00 21.54 N ATOM 16 CA LEU A 2 2.144 -2.567 -3.865 1.00 61.02 C ATOM 17 C LEU A 2 3.058 -2.427 -5.078 1.00 41.12 C ATOM 18 O LEU A 2 3.333 -1.318 -5.538 1.00 0.11 O ATOM 19 CB LEU A 2 0.710 -2.842 -4.322 1.00 23.13 C ATOM 20 CG LEU A 2 0.057 -1.754 -5.175 1.00 21.03 C ATOM 21 CD1 LEU A 2 -0.141 -2.241 -6.601 1.00 74.55 C ATOM 22 CD2 LEU A 2 -1.270 -1.324 -4.566 1.00 70.44 C ATOM 0 H LEU A 2 2.723 -0.596 -3.441 1.00 21.54 H new ATOM 0 HA LEU A 2 2.494 -3.406 -3.264 1.00 61.02 H new ATOM 0 HB2 LEU A 2 0.703 -3.773 -4.889 1.00 23.13 H new ATOM 0 HB3 LEU A 2 0.093 -3.002 -3.438 1.00 23.13 H new ATOM 0 HG LEU A 2 0.720 -0.889 -5.198 1.00 21.03 H new ATOM 0 HD11 LEU A 2 -0.607 -1.453 -7.193 1.00 74.55 H new ATOM 0 HD12 LEU A 2 0.825 -2.498 -7.035 1.00 74.55 H new ATOM 0 HD13 LEU A 2 -0.784 -3.121 -6.599 1.00 74.55 H new ATOM 0 HD21 LEU A 2 -1.721 -0.549 -5.186 1.00 70.44 H new ATOM 0 HD22 LEU A 2 -1.941 -2.182 -4.512 1.00 70.44 H new ATOM 0 HD23 LEU A 2 -1.100 -0.933 -3.563 1.00 70.44 H new ATOM 34 N THR A 3 3.525 -3.559 -5.595 1.00 24.32 N ATOM 35 CA THR A 3 4.407 -3.563 -6.755 1.00 63.41 C ATOM 36 C THR A 3 3.910 -4.534 -7.820 1.00 40.23 C ATOM 37 O THR A 3 3.033 -5.359 -7.561 1.00 45.43 O ATOM 38 CB THR A 3 5.848 -3.942 -6.364 1.00 62.31 C ATOM 39 OG1 THR A 3 6.745 -3.632 -7.437 1.00 75.51 O ATOM 40 CG2 THR A 3 5.946 -5.422 -6.026 1.00 71.33 C ATOM 0 H THR A 3 3.307 -4.485 -5.228 1.00 24.32 H new ATOM 0 HA THR A 3 4.402 -2.551 -7.159 1.00 63.41 H new ATOM 0 HB THR A 3 6.125 -3.365 -5.482 1.00 62.31 H new ATOM 0 HG1 THR A 3 7.659 -3.874 -7.180 1.00 75.51 H new ATOM 0 HG21 THR A 3 6.973 -5.666 -5.753 1.00 71.33 H new ATOM 0 HG22 THR A 3 5.285 -5.649 -5.190 1.00 71.33 H new ATOM 0 HG23 THR A 3 5.651 -6.013 -6.893 1.00 71.33 H new ATOM 48 N ARG A 4 4.475 -4.430 -9.019 1.00 24.44 N ATOM 49 CA ARG A 4 4.088 -5.299 -10.123 1.00 64.44 C ATOM 50 C ARG A 4 4.715 -6.683 -9.972 1.00 51.55 C ATOM 51 O ARG A 4 5.751 -6.855 -9.330 1.00 32.02 O ATOM 52 CB ARG A 4 4.508 -4.681 -11.458 1.00 41.41 C ATOM 53 CG ARG A 4 5.974 -4.283 -11.511 1.00 1.33 C ATOM 54 CD ARG A 4 6.139 -2.804 -11.824 1.00 10.34 C ATOM 55 NE ARG A 4 7.541 -2.395 -11.813 1.00 40.00 N ATOM 56 CZ ARG A 4 8.392 -2.662 -12.798 1.00 13.32 C ATOM 57 NH1 ARG A 4 7.985 -3.333 -13.866 1.00 54.03 N ATOM 58 NH2 ARG A 4 9.652 -2.256 -12.715 1.00 64.12 N ATOM 0 H ARG A 4 5.202 -3.753 -9.250 1.00 24.44 H new ATOM 0 HA ARG A 4 3.003 -5.406 -10.105 1.00 64.44 H new ATOM 0 HB2 ARG A 4 4.304 -5.393 -12.258 1.00 41.41 H new ATOM 0 HB3 ARG A 4 3.894 -3.801 -11.650 1.00 41.41 H new ATOM 0 HG2 ARG A 4 6.448 -4.509 -10.556 1.00 1.33 H new ATOM 0 HG3 ARG A 4 6.486 -4.876 -12.269 1.00 1.33 H new ATOM 0 HD2 ARG A 4 5.707 -2.590 -12.801 1.00 10.34 H new ATOM 0 HD3 ARG A 4 5.584 -2.215 -11.094 1.00 10.34 H new ATOM 0 HE ARG A 4 7.886 -1.876 -11.005 1.00 40.00 H new ATOM 0 HH11 ARG A 4 7.016 -3.646 -13.933 1.00 54.03 H new ATOM 0 HH12 ARG A 4 8.640 -3.537 -14.621 1.00 54.03 H new ATOM 0 HH21 ARG A 4 9.968 -1.739 -11.895 1.00 64.12 H new ATOM 0 HH22 ARG A 4 10.305 -2.461 -13.471 1.00 64.12 H new ATOM 72 N PRO A 5 4.073 -7.693 -10.578 1.00 13.41 N ATOM 73 CA PRO A 5 4.549 -9.078 -10.525 1.00 72.02 C ATOM 74 C PRO A 5 5.829 -9.282 -11.327 1.00 45.24 C ATOM 75 O PRO A 5 5.799 -9.805 -12.441 1.00 70.25 O ATOM 76 CB PRO A 5 3.397 -9.873 -11.146 1.00 0.34 C ATOM 77 CG PRO A 5 2.699 -8.899 -12.031 1.00 71.22 C ATOM 78 CD PRO A 5 2.833 -7.560 -11.361 1.00 13.21 C ATOM 0 HA PRO A 5 4.798 -9.385 -9.509 1.00 72.02 H new ATOM 0 HB2 PRO A 5 3.766 -10.728 -11.712 1.00 0.34 H new ATOM 0 HB3 PRO A 5 2.727 -10.263 -10.380 1.00 0.34 H new ATOM 0 HG2 PRO A 5 3.147 -8.885 -13.025 1.00 71.22 H new ATOM 0 HG3 PRO A 5 1.651 -9.169 -12.158 1.00 71.22 H new ATOM 0 HD2 PRO A 5 2.902 -6.752 -12.089 1.00 13.21 H new ATOM 0 HD3 PRO A 5 1.976 -7.342 -10.723 1.00 13.21 H new ATOM 86 N TYR A 6 6.953 -8.866 -10.754 1.00 43.14 N ATOM 87 CA TYR A 6 8.245 -9.001 -11.417 1.00 71.25 C ATOM 88 C TYR A 6 9.225 -9.783 -10.548 1.00 14.14 C ATOM 89 O TYR A 6 9.380 -9.501 -9.359 1.00 13.44 O ATOM 90 CB TYR A 6 8.822 -7.622 -11.742 1.00 71.43 C ATOM 91 CG TYR A 6 9.145 -7.431 -13.207 1.00 10.11 C ATOM 92 CD1 TYR A 6 10.451 -7.536 -13.670 1.00 31.22 C ATOM 93 CD2 TYR A 6 8.145 -7.144 -14.128 1.00 11.24 C ATOM 94 CE1 TYR A 6 10.751 -7.361 -15.007 1.00 21.50 C ATOM 95 CE2 TYR A 6 8.436 -6.969 -15.467 1.00 14.03 C ATOM 96 CZ TYR A 6 9.740 -7.079 -15.901 1.00 41.55 C ATOM 97 OH TYR A 6 10.034 -6.904 -17.234 1.00 51.44 O ATOM 0 H TYR A 6 6.996 -8.432 -9.832 1.00 43.14 H new ATOM 0 HA TYR A 6 8.092 -9.551 -12.345 1.00 71.25 H new ATOM 0 HB2 TYR A 6 8.110 -6.857 -11.433 1.00 71.43 H new ATOM 0 HB3 TYR A 6 9.728 -7.469 -11.156 1.00 71.43 H new ATOM 0 HD1 TYR A 6 11.245 -7.758 -12.973 1.00 31.22 H new ATOM 0 HD2 TYR A 6 7.123 -7.056 -13.791 1.00 11.24 H new ATOM 0 HE1 TYR A 6 11.772 -7.445 -15.350 1.00 21.50 H new ATOM 0 HE2 TYR A 6 7.647 -6.747 -16.170 1.00 14.03 H new ATOM 0 HH TYR A 6 9.210 -6.713 -17.728 1.00 51.44 H new ATOM 107 N LEU A 7 9.884 -10.767 -11.149 1.00 3.31 N ATOM 108 CA LEU A 7 10.851 -11.591 -10.431 1.00 13.51 C ATOM 109 C LEU A 7 12.259 -11.378 -10.977 1.00 2.04 C ATOM 110 O LEU A 7 12.510 -11.568 -12.166 1.00 25.12 O ATOM 111 CB LEU A 7 10.469 -13.068 -10.536 1.00 15.04 C ATOM 112 CG LEU A 7 10.399 -13.645 -11.950 1.00 41.30 C ATOM 113 CD1 LEU A 7 11.542 -14.620 -12.186 1.00 0.05 C ATOM 114 CD2 LEU A 7 9.058 -14.325 -12.183 1.00 62.42 C ATOM 0 H LEU A 7 9.767 -11.014 -12.132 1.00 3.31 H new ATOM 0 HA LEU A 7 10.839 -11.293 -9.383 1.00 13.51 H new ATOM 0 HB2 LEU A 7 11.190 -13.651 -9.963 1.00 15.04 H new ATOM 0 HB3 LEU A 7 9.498 -13.206 -10.061 1.00 15.04 H new ATOM 0 HG LEU A 7 10.496 -12.825 -12.662 1.00 41.30 H new ATOM 0 HD11 LEU A 7 11.476 -15.020 -13.198 1.00 0.05 H new ATOM 0 HD12 LEU A 7 12.493 -14.102 -12.062 1.00 0.05 H new ATOM 0 HD13 LEU A 7 11.477 -15.437 -11.467 1.00 0.05 H new ATOM 0 HD21 LEU A 7 9.026 -14.730 -13.195 1.00 62.42 H new ATOM 0 HD22 LEU A 7 8.931 -15.134 -11.464 1.00 62.42 H new ATOM 0 HD23 LEU A 7 8.255 -13.599 -12.057 1.00 62.42 H new ATOM 126 N GLY A 8 13.176 -10.984 -10.098 1.00 31.24 N ATOM 127 CA GLY A 8 14.548 -10.755 -10.510 1.00 3.54 C ATOM 128 C GLY A 8 15.540 -11.572 -9.706 1.00 35.43 C ATOM 129 O GLY A 8 16.663 -11.134 -9.461 1.00 5.42 O ATOM 0 H GLY A 8 12.993 -10.819 -9.108 1.00 31.24 H new ATOM 0 HA2 GLY A 8 14.652 -11.000 -11.567 1.00 3.54 H new ATOM 0 HA3 GLY A 8 14.784 -9.696 -10.404 1.00 3.54 H new ATOM 133 N PHE A 9 15.123 -12.765 -9.292 1.00 51.33 N ATOM 134 CA PHE A 9 15.982 -13.645 -8.509 1.00 34.14 C ATOM 135 C PHE A 9 15.689 -15.110 -8.821 1.00 14.31 C ATOM 136 O PHE A 9 14.713 -15.427 -9.501 1.00 35.24 O ATOM 137 CB PHE A 9 15.789 -13.382 -7.014 1.00 33.34 C ATOM 138 CG PHE A 9 14.353 -13.441 -6.575 1.00 24.51 C ATOM 139 CD1 PHE A 9 13.520 -12.346 -6.735 1.00 64.12 C ATOM 140 CD2 PHE A 9 13.837 -14.593 -6.002 1.00 5.45 C ATOM 141 CE1 PHE A 9 12.199 -12.397 -6.333 1.00 30.31 C ATOM 142 CE2 PHE A 9 12.517 -14.650 -5.598 1.00 11.12 C ATOM 143 CZ PHE A 9 11.697 -13.551 -5.762 1.00 40.45 C ATOM 0 H PHE A 9 14.196 -13.144 -9.486 1.00 51.33 H new ATOM 0 HA PHE A 9 17.017 -13.435 -8.778 1.00 34.14 H new ATOM 0 HB2 PHE A 9 16.364 -14.114 -6.447 1.00 33.34 H new ATOM 0 HB3 PHE A 9 16.195 -12.400 -6.771 1.00 33.34 H new ATOM 0 HD1 PHE A 9 13.908 -11.441 -7.179 1.00 64.12 H new ATOM 0 HD2 PHE A 9 14.474 -15.455 -5.870 1.00 5.45 H new ATOM 0 HE1 PHE A 9 11.560 -11.536 -6.465 1.00 30.31 H new ATOM 0 HE2 PHE A 9 12.127 -15.554 -5.154 1.00 11.12 H new ATOM 0 HZ PHE A 9 10.666 -13.593 -5.445 1.00 40.45 H new ATOM 153 N ARG A 10 16.542 -15.997 -8.320 1.00 75.30 N ATOM 154 CA ARG A 10 16.376 -17.428 -8.547 1.00 0.05 C ATOM 155 C ARG A 10 16.069 -18.153 -7.240 1.00 31.43 C ATOM 156 O ARG A 10 16.569 -17.781 -6.178 1.00 64.23 O ATOM 157 CB ARG A 10 17.637 -18.014 -9.183 1.00 63.35 C ATOM 158 CG ARG A 10 17.750 -17.741 -10.674 1.00 71.45 C ATOM 159 CD ARG A 10 17.313 -18.944 -11.496 1.00 35.24 C ATOM 160 NE ARG A 10 18.392 -19.454 -12.337 1.00 73.12 N ATOM 161 CZ ARG A 10 18.370 -20.649 -12.917 1.00 33.34 C ATOM 162 NH1 ARG A 10 17.329 -21.453 -12.747 1.00 20.04 N ATOM 163 NH2 ARG A 10 19.390 -21.042 -13.668 1.00 60.43 N ATOM 0 H ARG A 10 17.354 -15.751 -7.755 1.00 75.30 H new ATOM 0 HA ARG A 10 15.536 -17.568 -9.227 1.00 0.05 H new ATOM 0 HB2 ARG A 10 18.512 -17.603 -8.680 1.00 63.35 H new ATOM 0 HB3 ARG A 10 17.650 -19.091 -9.017 1.00 63.35 H new ATOM 0 HG2 ARG A 10 17.136 -16.879 -10.935 1.00 71.45 H new ATOM 0 HG3 ARG A 10 18.780 -17.485 -10.921 1.00 71.45 H new ATOM 0 HD2 ARG A 10 16.970 -19.734 -10.828 1.00 35.24 H new ATOM 0 HD3 ARG A 10 16.466 -18.666 -12.123 1.00 35.24 H new ATOM 0 HE ARG A 10 19.208 -18.860 -12.488 1.00 73.12 H new ATOM 0 HH11 ARG A 10 16.543 -21.154 -12.170 1.00 20.04 H new ATOM 0 HH12 ARG A 10 17.315 -22.370 -13.193 1.00 20.04 H new ATOM 0 HH21 ARG A 10 20.192 -20.427 -13.801 1.00 60.43 H new ATOM 0 HH22 ARG A 10 19.372 -21.960 -14.113 1.00 60.43 H new ATOM 177 N VAL A 11 15.242 -19.191 -7.325 1.00 1.22 N ATOM 178 CA VAL A 11 14.868 -19.969 -6.150 1.00 3.11 C ATOM 179 C VAL A 11 14.937 -21.465 -6.437 1.00 2.34 C ATOM 180 O VAL A 11 14.449 -21.933 -7.464 1.00 71.14 O ATOM 181 CB VAL A 11 13.448 -19.614 -5.670 1.00 63.22 C ATOM 182 CG1 VAL A 11 12.416 -20.019 -6.711 1.00 60.43 C ATOM 183 CG2 VAL A 11 13.157 -20.277 -4.332 1.00 61.34 C ATOM 0 H VAL A 11 14.819 -19.512 -8.196 1.00 1.22 H new ATOM 0 HA VAL A 11 15.581 -19.719 -5.365 1.00 3.11 H new ATOM 0 HB VAL A 11 13.388 -18.534 -5.535 1.00 63.22 H new ATOM 0 HG11 VAL A 11 11.419 -19.761 -6.355 1.00 60.43 H new ATOM 0 HG12 VAL A 11 12.615 -19.493 -7.645 1.00 60.43 H new ATOM 0 HG13 VAL A 11 12.473 -21.094 -6.881 1.00 60.43 H new ATOM 0 HG21 VAL A 11 12.150 -20.015 -4.008 1.00 61.34 H new ATOM 0 HG22 VAL A 11 13.235 -21.359 -4.438 1.00 61.34 H new ATOM 0 HG23 VAL A 11 13.878 -19.932 -3.591 1.00 61.34 H new ATOM 193 N ALA A 12 15.547 -22.210 -5.520 1.00 52.33 N ATOM 194 CA ALA A 12 15.678 -23.653 -5.673 1.00 75.43 C ATOM 195 C ALA A 12 15.095 -24.388 -4.470 1.00 43.24 C ATOM 196 O ALA A 12 15.518 -24.172 -3.334 1.00 72.24 O ATOM 197 CB ALA A 12 17.138 -24.033 -5.870 1.00 33.21 C ATOM 0 H ALA A 12 15.958 -21.837 -4.664 1.00 52.33 H new ATOM 0 HA ALA A 12 15.114 -23.952 -6.557 1.00 75.43 H new ATOM 0 HB1 ALA A 12 17.221 -25.114 -5.983 1.00 33.21 H new ATOM 0 HB2 ALA A 12 17.524 -23.544 -6.765 1.00 33.21 H new ATOM 0 HB3 ALA A 12 17.717 -23.713 -5.004 1.00 33.21 H new ATOM 203 N VAL A 13 14.122 -25.256 -4.727 1.00 61.22 N ATOM 204 CA VAL A 13 13.482 -26.023 -3.665 1.00 72.02 C ATOM 205 C VAL A 13 14.325 -27.232 -3.275 1.00 72.05 C ATOM 206 O VAL A 13 14.781 -27.987 -4.133 1.00 51.44 O ATOM 207 CB VAL A 13 12.080 -26.503 -4.086 1.00 50.41 C ATOM 208 CG1 VAL A 13 12.174 -27.451 -5.272 1.00 15.21 C ATOM 209 CG2 VAL A 13 11.371 -27.168 -2.916 1.00 2.41 C ATOM 0 H VAL A 13 13.760 -25.446 -5.661 1.00 61.22 H new ATOM 0 HA VAL A 13 13.388 -25.357 -2.807 1.00 72.02 H new ATOM 0 HB VAL A 13 11.494 -25.636 -4.390 1.00 50.41 H new ATOM 0 HG11 VAL A 13 11.174 -27.780 -5.555 1.00 15.21 H new ATOM 0 HG12 VAL A 13 12.639 -26.937 -6.113 1.00 15.21 H new ATOM 0 HG13 VAL A 13 12.777 -28.317 -4.999 1.00 15.21 H new ATOM 0 HG21 VAL A 13 10.382 -27.501 -3.231 1.00 2.41 H new ATOM 0 HG22 VAL A 13 11.952 -28.026 -2.578 1.00 2.41 H new ATOM 0 HG23 VAL A 13 11.270 -26.454 -2.099 1.00 2.41 H new ATOM 219 N GLY A 14 14.528 -27.410 -1.974 1.00 32.45 N ATOM 220 CA GLY A 14 15.316 -28.530 -1.492 1.00 74.11 C ATOM 221 C GLY A 14 14.958 -28.923 -0.073 1.00 35.24 C ATOM 222 O GLY A 14 13.855 -28.641 0.397 1.00 3.04 O ATOM 0 H GLY A 14 14.161 -26.799 -1.244 1.00 32.45 H new ATOM 0 HA2 GLY A 14 15.167 -29.385 -2.151 1.00 74.11 H new ATOM 0 HA3 GLY A 14 16.374 -28.272 -1.538 1.00 74.11 H new ATOM 226 N ARG A 15 15.890 -29.578 0.611 1.00 1.15 N ATOM 227 CA ARG A 15 15.666 -30.013 1.985 1.00 71.12 C ATOM 228 C ARG A 15 16.852 -29.647 2.872 1.00 43.13 C ATOM 229 O ARG A 15 18.006 -29.731 2.449 1.00 55.12 O ATOM 230 CB ARG A 15 15.428 -31.523 2.031 1.00 33.52 C ATOM 231 CG ARG A 15 14.276 -31.986 1.154 1.00 53.40 C ATOM 232 CD ARG A 15 13.085 -32.432 1.988 1.00 53.43 C ATOM 233 NE ARG A 15 13.310 -33.733 2.612 1.00 51.41 N ATOM 234 CZ ARG A 15 12.359 -34.427 3.227 1.00 61.23 C ATOM 235 NH1 ARG A 15 11.125 -33.948 3.299 1.00 70.01 N ATOM 236 NH2 ARG A 15 12.642 -35.604 3.770 1.00 31.15 N ATOM 0 H ARG A 15 16.808 -29.819 0.237 1.00 1.15 H new ATOM 0 HA ARG A 15 14.781 -29.500 2.362 1.00 71.12 H new ATOM 0 HB2 ARG A 15 16.339 -32.035 1.720 1.00 33.52 H new ATOM 0 HB3 ARG A 15 15.231 -31.820 3.061 1.00 33.52 H new ATOM 0 HG2 ARG A 15 13.974 -31.176 0.491 1.00 53.40 H new ATOM 0 HG3 ARG A 15 14.607 -32.809 0.521 1.00 53.40 H new ATOM 0 HD2 ARG A 15 12.885 -31.689 2.760 1.00 53.43 H new ATOM 0 HD3 ARG A 15 12.198 -32.482 1.356 1.00 53.43 H new ATOM 0 HE ARG A 15 14.249 -34.130 2.573 1.00 51.41 H new ATOM 0 HH11 ARG A 15 10.904 -33.044 2.881 1.00 70.01 H new ATOM 0 HH12 ARG A 15 10.397 -34.483 3.772 1.00 70.01 H new ATOM 0 HH21 ARG A 15 13.590 -35.976 3.715 1.00 31.15 H new ATOM 0 HH22 ARG A 15 11.911 -36.137 4.242 1.00 31.15 H new ATOM 250 N ASP A 16 16.561 -29.240 4.102 1.00 30.43 N ATOM 251 CA ASP A 16 17.603 -28.862 5.049 1.00 3.24 C ATOM 252 C ASP A 16 17.906 -30.007 6.011 1.00 51.11 C ATOM 253 O ASP A 16 17.349 -31.098 5.888 1.00 51.33 O ATOM 254 CB ASP A 16 17.182 -27.618 5.834 1.00 60.40 C ATOM 255 CG ASP A 16 15.739 -27.686 6.295 1.00 42.34 C ATOM 256 OD1 ASP A 16 15.131 -26.614 6.499 1.00 33.22 O ATOM 257 OD2 ASP A 16 15.218 -28.810 6.450 1.00 42.34 O ATOM 0 H ASP A 16 15.612 -29.163 4.467 1.00 30.43 H new ATOM 0 HA ASP A 16 18.508 -28.637 4.484 1.00 3.24 H new ATOM 0 HB2 ASP A 16 17.832 -27.501 6.701 1.00 60.40 H new ATOM 0 HB3 ASP A 16 17.320 -26.734 5.211 1.00 60.40 H new ATOM 262 N SER A 17 18.793 -29.751 6.967 1.00 14.05 N ATOM 263 CA SER A 17 19.173 -30.762 7.947 1.00 1.32 C ATOM 264 C SER A 17 18.062 -30.970 8.972 1.00 24.22 C ATOM 265 O SER A 17 17.938 -32.045 9.559 1.00 31.00 O ATOM 266 CB SER A 17 20.466 -30.354 8.656 1.00 64.23 C ATOM 267 OG SER A 17 21.230 -29.470 7.854 1.00 64.22 O ATOM 0 H SER A 17 19.262 -28.853 7.084 1.00 14.05 H new ATOM 0 HA SER A 17 19.337 -31.701 7.419 1.00 1.32 H new ATOM 0 HB2 SER A 17 20.228 -29.875 9.606 1.00 64.23 H new ATOM 0 HB3 SER A 17 21.054 -31.242 8.886 1.00 64.23 H new ATOM 0 HG SER A 17 20.950 -28.547 8.027 1.00 64.22 H new ATOM 273 N SER A 18 17.257 -29.934 9.182 1.00 4.51 N ATOM 274 CA SER A 18 16.159 -30.000 10.139 1.00 72.23 C ATOM 275 C SER A 18 15.024 -30.868 9.603 1.00 21.21 C ATOM 276 O SER A 18 14.714 -31.919 10.163 1.00 60.04 O ATOM 277 CB SER A 18 15.639 -28.595 10.449 1.00 73.31 C ATOM 278 OG SER A 18 14.238 -28.606 10.666 1.00 63.34 O ATOM 0 H SER A 18 17.344 -29.038 8.702 1.00 4.51 H new ATOM 0 HA SER A 18 16.536 -30.450 11.057 1.00 72.23 H new ATOM 0 HB2 SER A 18 16.144 -28.204 11.332 1.00 73.31 H new ATOM 0 HB3 SER A 18 15.877 -27.925 9.623 1.00 73.31 H new ATOM 0 HG SER A 18 13.930 -27.697 10.864 1.00 63.34 H new ATOM 284 N GLY A 19 14.407 -30.419 8.514 1.00 65.52 N ATOM 285 CA GLY A 19 13.314 -31.166 7.920 1.00 52.11 C ATOM 286 C GLY A 19 12.011 -30.391 7.929 1.00 31.41 C ATOM 287 O GLY A 19 10.966 -30.925 8.304 1.00 62.32 O ATOM 0 H GLY A 19 14.645 -29.552 8.033 1.00 65.52 H new ATOM 0 HA2 GLY A 19 13.571 -31.426 6.893 1.00 52.11 H new ATOM 0 HA3 GLY A 19 13.180 -32.102 8.462 1.00 52.11 H new ATOM 291 N CYS A 20 12.072 -29.130 7.518 1.00 53.23 N ATOM 292 CA CYS A 20 10.887 -28.279 7.482 1.00 22.23 C ATOM 293 C CYS A 20 10.515 -27.924 6.046 1.00 25.24 C ATOM 294 O CYS A 20 9.453 -27.357 5.790 1.00 34.31 O ATOM 295 CB CYS A 20 11.126 -27.003 8.291 1.00 61.05 C ATOM 296 SG CYS A 20 10.461 -27.058 9.971 1.00 72.01 S ATOM 0 H CYS A 20 12.929 -28.674 7.205 1.00 53.23 H new ATOM 0 HA CYS A 20 10.059 -28.832 7.925 1.00 22.23 H new ATOM 0 HB2 CYS A 20 12.198 -26.814 8.342 1.00 61.05 H new ATOM 0 HB3 CYS A 20 10.679 -26.161 7.762 1.00 61.05 H new ATOM 0 HG CYS A 20 9.623 -26.078 10.138 1.00 72.01 H new ATOM 302 N THR A 21 11.399 -28.260 5.111 1.00 20.04 N ATOM 303 CA THR A 21 11.166 -27.974 3.701 1.00 34.55 C ATOM 304 C THR A 21 11.122 -26.473 3.445 1.00 50.54 C ATOM 305 O THR A 21 10.096 -25.825 3.655 1.00 33.12 O ATOM 306 CB THR A 21 9.849 -28.606 3.211 1.00 62.23 C ATOM 307 OG1 THR A 21 9.433 -29.636 4.115 1.00 51.41 O ATOM 308 CG2 THR A 21 10.015 -29.187 1.815 1.00 63.23 C ATOM 0 H THR A 21 12.283 -28.731 5.305 1.00 20.04 H new ATOM 0 HA THR A 21 11.998 -28.410 3.148 1.00 34.55 H new ATOM 0 HB THR A 21 9.089 -27.826 3.175 1.00 62.23 H new ATOM 0 HG1 THR A 21 8.594 -30.031 3.797 1.00 51.41 H new ATOM 0 HG21 THR A 21 9.073 -29.628 1.490 1.00 63.23 H new ATOM 0 HG22 THR A 21 10.303 -28.395 1.123 1.00 63.23 H new ATOM 0 HG23 THR A 21 10.788 -29.955 1.830 1.00 63.23 H new ATOM 316 N THR A 22 12.242 -25.922 2.987 1.00 24.12 N ATOM 317 CA THR A 22 12.332 -24.496 2.702 1.00 41.22 C ATOM 318 C THR A 22 13.173 -24.236 1.457 1.00 54.11 C ATOM 319 O THR A 22 13.999 -25.063 1.069 1.00 32.22 O ATOM 320 CB THR A 22 12.939 -23.723 3.888 1.00 41.43 C ATOM 321 OG1 THR A 22 13.342 -22.415 3.465 1.00 24.22 O ATOM 322 CG2 THR A 22 14.135 -24.466 4.463 1.00 33.44 C ATOM 0 H THR A 22 13.100 -26.443 2.806 1.00 24.12 H new ATOM 0 HA THR A 22 11.315 -24.143 2.530 1.00 41.22 H new ATOM 0 HB THR A 22 12.178 -23.636 4.664 1.00 41.43 H new ATOM 0 HG1 THR A 22 13.726 -21.929 4.225 1.00 24.22 H new ATOM 0 HG21 THR A 22 14.547 -23.901 5.299 1.00 33.44 H new ATOM 0 HG22 THR A 22 13.820 -25.450 4.810 1.00 33.44 H new ATOM 0 HG23 THR A 22 14.897 -24.581 3.692 1.00 33.44 H new ATOM 330 N LEU A 23 12.958 -23.082 0.834 1.00 31.41 N ATOM 331 CA LEU A 23 13.697 -22.713 -0.368 1.00 41.21 C ATOM 332 C LEU A 23 14.829 -21.746 -0.036 1.00 13.53 C ATOM 333 O LEU A 23 14.737 -20.971 0.916 1.00 12.43 O ATOM 334 CB LEU A 23 12.756 -22.081 -1.395 1.00 50.12 C ATOM 335 CG LEU A 23 12.036 -23.051 -2.332 1.00 35.52 C ATOM 336 CD1 LEU A 23 11.388 -24.176 -1.539 1.00 71.43 C ATOM 337 CD2 LEU A 23 10.996 -22.316 -3.165 1.00 33.13 C ATOM 0 H LEU A 23 12.278 -22.386 1.141 1.00 31.41 H new ATOM 0 HA LEU A 23 14.130 -23.619 -0.791 1.00 41.21 H new ATOM 0 HB2 LEU A 23 12.005 -21.499 -0.860 1.00 50.12 H new ATOM 0 HB3 LEU A 23 13.330 -21.380 -2.001 1.00 50.12 H new ATOM 0 HG LEU A 23 12.772 -23.487 -3.008 1.00 35.52 H new ATOM 0 HD11 LEU A 23 10.880 -24.857 -2.222 1.00 71.43 H new ATOM 0 HD12 LEU A 23 12.154 -24.720 -0.987 1.00 71.43 H new ATOM 0 HD13 LEU A 23 10.665 -23.758 -0.839 1.00 71.43 H new ATOM 0 HD21 LEU A 23 10.494 -23.022 -3.826 1.00 33.13 H new ATOM 0 HD22 LEU A 23 10.263 -21.852 -2.505 1.00 33.13 H new ATOM 0 HD23 LEU A 23 11.485 -21.546 -3.762 1.00 33.13 H new ATOM 349 N SER A 24 15.895 -21.795 -0.828 1.00 73.21 N ATOM 350 CA SER A 24 17.045 -20.924 -0.617 1.00 62.41 C ATOM 351 C SER A 24 17.225 -19.968 -1.792 1.00 2.10 C ATOM 352 O SER A 24 16.846 -20.277 -2.922 1.00 33.12 O ATOM 353 CB SER A 24 18.314 -21.758 -0.424 1.00 54.23 C ATOM 354 OG SER A 24 19.154 -21.186 0.563 1.00 21.32 O ATOM 0 H SER A 24 15.986 -22.429 -1.622 1.00 73.21 H new ATOM 0 HA SER A 24 16.865 -20.336 0.283 1.00 62.41 H new ATOM 0 HB2 SER A 24 18.045 -22.773 -0.133 1.00 54.23 H new ATOM 0 HB3 SER A 24 18.853 -21.829 -1.368 1.00 54.23 H new ATOM 0 HG SER A 24 19.957 -21.738 0.669 1.00 21.32 H new ATOM 360 N ILE A 25 17.807 -18.805 -1.516 1.00 75.33 N ATOM 361 CA ILE A 25 18.038 -17.804 -2.550 1.00 1.34 C ATOM 362 C ILE A 25 19.457 -17.899 -3.099 1.00 63.14 C ATOM 363 O ILE A 25 20.420 -18.010 -2.341 1.00 43.13 O ATOM 364 CB ILE A 25 17.801 -16.379 -2.016 1.00 3.35 C ATOM 365 CG1 ILE A 25 18.887 -16.002 -1.005 1.00 35.42 C ATOM 366 CG2 ILE A 25 16.421 -16.273 -1.384 1.00 4.54 C ATOM 367 CD1 ILE A 25 18.663 -14.657 -0.350 1.00 73.15 C ATOM 0 H ILE A 25 18.127 -18.533 -0.586 1.00 75.33 H new ATOM 0 HA ILE A 25 17.327 -18.007 -3.351 1.00 1.34 H new ATOM 0 HB ILE A 25 17.851 -15.681 -2.851 1.00 3.35 H new ATOM 0 HG12 ILE A 25 18.935 -16.770 -0.233 1.00 35.42 H new ATOM 0 HG13 ILE A 25 19.854 -15.995 -1.508 1.00 35.42 H new ATOM 0 HG21 ILE A 25 16.268 -15.260 -1.011 1.00 4.54 H new ATOM 0 HG22 ILE A 25 15.660 -16.504 -2.130 1.00 4.54 H new ATOM 0 HG23 ILE A 25 16.344 -16.979 -0.557 1.00 4.54 H new ATOM 0 HD11 ILE A 25 19.471 -14.456 0.354 1.00 73.15 H new ATOM 0 HD12 ILE A 25 18.645 -13.879 -1.113 1.00 73.15 H new ATOM 0 HD13 ILE A 25 17.712 -14.665 0.182 1.00 73.15 H new ATOM 379 N GLN A 26 19.578 -17.853 -4.422 1.00 72.33 N ATOM 380 CA GLN A 26 20.880 -17.934 -5.073 1.00 40.54 C ATOM 381 C GLN A 26 21.445 -16.541 -5.333 1.00 63.14 C ATOM 382 O GLN A 26 22.659 -16.363 -5.432 1.00 53.34 O ATOM 383 CB GLN A 26 20.769 -18.706 -6.389 1.00 42.32 C ATOM 384 CG GLN A 26 20.478 -20.186 -6.203 1.00 74.01 C ATOM 385 CD GLN A 26 19.009 -20.464 -5.950 1.00 20.22 C ATOM 386 OE1 GLN A 26 18.218 -20.489 -7.016 1.00 3.41 O flip ATOM 387 NE2 GLN A 26 18.589 -20.655 -4.808 1.00 64.13 N flip ATOM 0 H GLN A 26 18.790 -17.760 -5.064 1.00 72.33 H new ATOM 0 HA GLN A 26 21.560 -18.464 -4.406 1.00 40.54 H new ATOM 0 HB2 GLN A 26 19.979 -18.262 -6.995 1.00 42.32 H new ATOM 0 HB3 GLN A 26 21.699 -18.594 -6.946 1.00 42.32 H new ATOM 0 HG2 GLN A 26 20.799 -20.730 -7.091 1.00 74.01 H new ATOM 0 HG3 GLN A 26 21.065 -20.566 -5.367 1.00 74.01 H new ATOM 0 HE21 GLN A 26 19.232 -20.627 -4.017 1.00 64.13 H new ATOM 0 HE22 GLN A 26 17.598 -20.841 -4.654 1.00 64.13 H new ATOM 396 N GLU A 27 20.557 -15.558 -5.443 1.00 60.13 N ATOM 397 CA GLU A 27 20.969 -14.182 -5.693 1.00 52.22 C ATOM 398 C GLU A 27 20.334 -13.232 -4.682 1.00 14.31 C ATOM 399 O GLU A 27 19.738 -13.665 -3.696 1.00 13.25 O ATOM 400 CB GLU A 27 20.587 -13.762 -7.114 1.00 13.40 C ATOM 401 CG GLU A 27 21.713 -13.078 -7.870 1.00 65.55 C ATOM 402 CD GLU A 27 22.454 -14.026 -8.794 1.00 41.44 C ATOM 403 OE1 GLU A 27 23.318 -14.781 -8.301 1.00 11.54 O ATOM 404 OE2 GLU A 27 22.171 -14.012 -10.010 1.00 73.03 O ATOM 0 H GLU A 27 19.549 -15.689 -5.363 1.00 60.13 H new ATOM 0 HA GLU A 27 22.052 -14.129 -5.585 1.00 52.22 H new ATOM 0 HB2 GLU A 27 20.269 -14.643 -7.671 1.00 13.40 H new ATOM 0 HB3 GLU A 27 19.731 -13.089 -7.067 1.00 13.40 H new ATOM 0 HG2 GLU A 27 21.305 -12.252 -8.453 1.00 65.55 H new ATOM 0 HG3 GLU A 27 22.416 -12.648 -7.157 1.00 65.55 H new ATOM 411 N VAL A 28 20.466 -11.933 -4.934 1.00 60.34 N ATOM 412 CA VAL A 28 19.905 -10.921 -4.047 1.00 63.05 C ATOM 413 C VAL A 28 18.770 -10.164 -4.726 1.00 54.35 C ATOM 414 O VAL A 28 18.903 -9.709 -5.863 1.00 62.33 O ATOM 415 CB VAL A 28 20.980 -9.915 -3.594 1.00 54.20 C ATOM 416 CG1 VAL A 28 21.860 -10.524 -2.513 1.00 53.12 C ATOM 417 CG2 VAL A 28 21.816 -9.459 -4.780 1.00 1.31 C ATOM 0 H VAL A 28 20.957 -11.557 -5.745 1.00 60.34 H new ATOM 0 HA VAL A 28 19.517 -11.445 -3.174 1.00 63.05 H new ATOM 0 HB VAL A 28 20.481 -9.042 -3.173 1.00 54.20 H new ATOM 0 HG11 VAL A 28 22.613 -9.799 -2.206 1.00 53.12 H new ATOM 0 HG12 VAL A 28 21.246 -10.796 -1.654 1.00 53.12 H new ATOM 0 HG13 VAL A 28 22.352 -11.415 -2.903 1.00 53.12 H new ATOM 0 HG21 VAL A 28 22.570 -8.749 -4.442 1.00 1.31 H new ATOM 0 HG22 VAL A 28 22.306 -10.321 -5.232 1.00 1.31 H new ATOM 0 HG23 VAL A 28 21.171 -8.980 -5.517 1.00 1.31 H new ATOM 427 N THR A 29 17.650 -10.030 -4.022 1.00 21.31 N ATOM 428 CA THR A 29 16.490 -9.329 -4.556 1.00 51.42 C ATOM 429 C THR A 29 16.106 -8.148 -3.672 1.00 1.23 C ATOM 430 O THR A 29 15.113 -7.467 -3.927 1.00 21.21 O ATOM 431 CB THR A 29 15.278 -10.269 -4.692 1.00 34.23 C ATOM 432 OG1 THR A 29 14.139 -9.537 -5.157 1.00 14.42 O ATOM 433 CG2 THR A 29 14.953 -10.929 -3.360 1.00 22.11 C ATOM 0 H THR A 29 17.522 -10.399 -3.080 1.00 21.31 H new ATOM 0 HA THR A 29 16.770 -8.964 -5.544 1.00 51.42 H new ATOM 0 HB THR A 29 15.529 -11.046 -5.414 1.00 34.23 H new ATOM 0 HG1 THR A 29 14.308 -8.576 -5.065 1.00 14.42 H new ATOM 0 HG21 THR A 29 14.093 -11.588 -3.481 1.00 22.11 H new ATOM 0 HG22 THR A 29 15.811 -11.510 -3.023 1.00 22.11 H new ATOM 0 HG23 THR A 29 14.721 -10.162 -2.621 1.00 22.11 H new ATOM 441 N GLN A 30 16.900 -7.911 -2.632 1.00 54.42 N ATOM 442 CA GLN A 30 16.642 -6.811 -1.710 1.00 54.11 C ATOM 443 C GLN A 30 17.330 -5.534 -2.180 1.00 2.32 C ATOM 444 O GLN A 30 17.396 -4.545 -1.448 1.00 23.51 O ATOM 445 CB GLN A 30 17.120 -7.174 -0.303 1.00 74.42 C ATOM 446 CG GLN A 30 16.727 -8.578 0.129 1.00 1.11 C ATOM 447 CD GLN A 30 17.796 -9.606 -0.186 1.00 0.24 C ATOM 448 OE1 GLN A 30 18.957 -9.262 -0.412 1.00 33.25 O ATOM 449 NE2 GLN A 30 17.410 -10.876 -0.202 1.00 33.12 N ATOM 0 H GLN A 30 17.726 -8.465 -2.407 1.00 54.42 H new ATOM 0 HA GLN A 30 15.567 -6.635 -1.686 1.00 54.11 H new ATOM 0 HB2 GLN A 30 18.205 -7.080 -0.261 1.00 74.42 H new ATOM 0 HB3 GLN A 30 16.710 -6.456 0.408 1.00 74.42 H new ATOM 0 HG2 GLN A 30 16.529 -8.582 1.201 1.00 1.11 H new ATOM 0 HG3 GLN A 30 15.799 -8.861 -0.368 1.00 1.11 H new ATOM 0 HE21 GLN A 30 16.438 -11.116 -0.009 1.00 33.12 H new ATOM 0 HE22 GLN A 30 18.086 -11.612 -0.407 1.00 33.12 H new ATOM 458 N THR A 31 17.843 -5.560 -3.406 1.00 70.21 N ATOM 459 CA THR A 31 18.528 -4.406 -3.973 1.00 40.42 C ATOM 460 C THR A 31 17.731 -3.804 -5.125 1.00 71.40 C ATOM 461 O THR A 31 18.266 -3.046 -5.934 1.00 62.21 O ATOM 462 CB THR A 31 19.935 -4.779 -4.477 1.00 51.22 C ATOM 463 OG1 THR A 31 19.931 -6.113 -4.997 1.00 40.03 O ATOM 464 CG2 THR A 31 20.958 -4.669 -3.357 1.00 10.22 C ATOM 0 H THR A 31 17.797 -6.369 -4.026 1.00 70.21 H new ATOM 0 HA THR A 31 18.620 -3.670 -3.174 1.00 40.42 H new ATOM 0 HB THR A 31 20.210 -4.082 -5.268 1.00 51.22 H new ATOM 0 HG1 THR A 31 20.829 -6.342 -5.317 1.00 40.03 H new ATOM 0 HG21 THR A 31 21.944 -4.937 -3.737 1.00 10.22 H new ATOM 0 HG22 THR A 31 20.979 -3.645 -2.983 1.00 10.22 H new ATOM 0 HG23 THR A 31 20.685 -5.345 -2.547 1.00 10.22 H new ATOM 472 N TYR A 32 16.449 -4.146 -5.193 1.00 62.41 N ATOM 473 CA TYR A 32 15.578 -3.641 -6.248 1.00 23.22 C ATOM 474 C TYR A 32 14.390 -2.887 -5.659 1.00 2.14 C ATOM 475 O TYR A 32 13.896 -3.224 -4.582 1.00 63.41 O ATOM 476 CB TYR A 32 15.082 -4.793 -7.124 1.00 0.24 C ATOM 477 CG TYR A 32 15.820 -4.916 -8.438 1.00 13.52 C ATOM 478 CD1 TYR A 32 17.197 -5.100 -8.469 1.00 54.03 C ATOM 479 CD2 TYR A 32 15.140 -4.846 -9.648 1.00 24.13 C ATOM 480 CE1 TYR A 32 17.875 -5.212 -9.667 1.00 40.15 C ATOM 481 CE2 TYR A 32 15.810 -4.959 -10.851 1.00 3.55 C ATOM 482 CZ TYR A 32 17.177 -5.141 -10.855 1.00 65.13 C ATOM 483 OH TYR A 32 17.849 -5.252 -12.051 1.00 73.14 O ATOM 0 H TYR A 32 15.990 -4.771 -4.530 1.00 62.41 H new ATOM 0 HA TYR A 32 16.156 -2.950 -6.862 1.00 23.22 H new ATOM 0 HB2 TYR A 32 15.182 -5.727 -6.572 1.00 0.24 H new ATOM 0 HB3 TYR A 32 14.020 -4.654 -7.325 1.00 0.24 H new ATOM 0 HD1 TYR A 32 17.746 -5.156 -7.541 1.00 54.03 H new ATOM 0 HD2 TYR A 32 14.070 -4.701 -9.648 1.00 24.13 H new ATOM 0 HE1 TYR A 32 18.946 -5.354 -9.674 1.00 40.15 H new ATOM 0 HE2 TYR A 32 15.266 -4.905 -11.783 1.00 3.55 H new ATOM 0 HH TYR A 32 17.212 -5.182 -12.792 1.00 73.14 H new ATOM 493 N THR A 33 13.935 -1.862 -6.373 1.00 74.51 N ATOM 494 CA THR A 33 12.805 -1.059 -5.923 1.00 2.11 C ATOM 495 C THR A 33 12.048 -0.464 -7.105 1.00 2.34 C ATOM 496 O THR A 33 12.613 -0.264 -8.179 1.00 72.22 O ATOM 497 CB THR A 33 13.262 0.082 -4.994 1.00 22.53 C ATOM 498 OG1 THR A 33 14.164 -0.425 -4.003 1.00 70.04 O ATOM 499 CG2 THR A 33 12.069 0.736 -4.313 1.00 64.02 C ATOM 0 H THR A 33 14.332 -1.568 -7.266 1.00 74.51 H new ATOM 0 HA THR A 33 12.143 -1.726 -5.370 1.00 2.11 H new ATOM 0 HB THR A 33 13.771 0.832 -5.599 1.00 22.53 H new ATOM 0 HG1 THR A 33 14.451 0.306 -3.417 1.00 70.04 H new ATOM 0 HG21 THR A 33 12.416 1.538 -3.662 1.00 64.02 H new ATOM 0 HG22 THR A 33 11.399 1.146 -5.068 1.00 64.02 H new ATOM 0 HG23 THR A 33 11.536 -0.007 -3.720 1.00 64.02 H new ATOM 507 N GLY A 34 10.765 -0.181 -6.898 1.00 63.11 N ATOM 508 CA GLY A 34 9.952 0.389 -7.956 1.00 11.41 C ATOM 509 C GLY A 34 8.718 1.090 -7.424 1.00 54.30 C ATOM 510 O GLY A 34 8.296 2.113 -7.963 1.00 13.40 O ATOM 0 H GLY A 34 10.275 -0.336 -6.017 1.00 63.11 H new ATOM 0 HA2 GLY A 34 10.551 1.098 -8.528 1.00 11.41 H new ATOM 0 HA3 GLY A 34 9.650 -0.401 -8.643 1.00 11.41 H new ATOM 514 N SER A 35 8.136 0.538 -6.364 1.00 53.02 N ATOM 515 CA SER A 35 6.939 1.114 -5.763 1.00 33.15 C ATOM 516 C SER A 35 7.274 1.814 -4.449 1.00 31.31 C ATOM 517 O SER A 35 8.204 1.423 -3.745 1.00 42.50 O ATOM 518 CB SER A 35 5.890 0.026 -5.521 1.00 50.51 C ATOM 519 OG SER A 35 6.487 -1.154 -5.012 1.00 11.40 O ATOM 0 H SER A 35 8.474 -0.307 -5.904 1.00 53.02 H new ATOM 0 HA SER A 35 6.534 1.852 -6.455 1.00 33.15 H new ATOM 0 HB2 SER A 35 5.140 0.390 -4.819 1.00 50.51 H new ATOM 0 HB3 SER A 35 5.372 -0.198 -6.454 1.00 50.51 H new ATOM 0 HG SER A 35 5.990 -1.459 -4.225 1.00 11.40 H new ATOM 525 N ASN A 36 6.508 2.851 -4.126 1.00 32.30 N ATOM 526 CA ASN A 36 6.723 3.607 -2.897 1.00 71.44 C ATOM 527 C ASN A 36 8.156 4.126 -2.822 1.00 35.31 C ATOM 528 O ASN A 36 8.713 4.285 -1.737 1.00 13.33 O ATOM 529 CB ASN A 36 6.420 2.734 -1.678 1.00 14.24 C ATOM 530 CG ASN A 36 5.716 3.504 -0.577 1.00 14.01 C ATOM 531 OD1 ASN A 36 5.026 2.784 0.301 1.00 12.33 O flip ATOM 532 ND2 ASN A 36 5.791 4.731 -0.517 1.00 45.13 N flip ATOM 0 H ASN A 36 5.733 3.187 -4.698 1.00 32.30 H new ATOM 0 HA ASN A 36 6.046 4.461 -2.901 1.00 71.44 H new ATOM 0 HB2 ASN A 36 5.799 1.892 -1.983 1.00 14.24 H new ATOM 0 HB3 ASN A 36 7.351 2.320 -1.290 1.00 14.24 H new ATOM 0 HD21 ASN A 36 6.332 5.243 -1.213 1.00 45.13 H new ATOM 0 HD22 ASN A 36 5.312 5.235 0.229 1.00 45.13 H new ATOM 539 N GLY A 37 8.746 4.388 -3.984 1.00 4.22 N ATOM 540 CA GLY A 37 10.108 4.887 -4.027 1.00 65.04 C ATOM 541 C GLY A 37 10.651 4.970 -5.441 1.00 35.04 C ATOM 542 O GLY A 37 10.860 6.061 -5.969 1.00 65.33 O ATOM 0 H GLY A 37 8.306 4.264 -4.896 1.00 4.22 H new ATOM 0 HA2 GLY A 37 10.144 5.875 -3.569 1.00 65.04 H new ATOM 0 HA3 GLY A 37 10.749 4.236 -3.432 1.00 65.04 H new ATOM 546 N GLY A 38 10.880 3.813 -6.054 1.00 74.30 N ATOM 547 CA GLY A 38 11.401 3.781 -7.408 1.00 54.31 C ATOM 548 C GLY A 38 12.888 4.066 -7.464 1.00 24.13 C ATOM 549 O GLY A 38 13.303 5.175 -7.800 1.00 32.13 O ATOM 0 H GLY A 38 10.714 2.897 -5.637 1.00 74.30 H new ATOM 0 HA2 GLY A 38 11.205 2.802 -7.846 1.00 54.31 H new ATOM 0 HA3 GLY A 38 10.871 4.514 -8.015 1.00 54.31 H new ATOM 553 N ALA A 39 13.694 3.062 -7.132 1.00 0.52 N ATOM 554 CA ALA A 39 15.144 3.210 -7.146 1.00 1.32 C ATOM 555 C ALA A 39 15.833 1.906 -6.757 1.00 54.42 C ATOM 556 O ALA A 39 16.056 1.639 -5.576 1.00 54.13 O ATOM 557 CB ALA A 39 15.569 4.333 -6.211 1.00 22.11 C ATOM 0 H ALA A 39 13.367 2.138 -6.850 1.00 0.52 H new ATOM 0 HA ALA A 39 15.449 3.462 -8.162 1.00 1.32 H new ATOM 0 HB1 ALA A 39 16.654 4.432 -6.231 1.00 22.11 H new ATOM 0 HB2 ALA A 39 15.113 5.268 -6.535 1.00 22.11 H new ATOM 0 HB3 ALA A 39 15.245 4.104 -5.196 1.00 22.11 H new ATOM 563 N ASP A 40 16.166 1.098 -7.757 1.00 43.23 N ATOM 564 CA ASP A 40 16.830 -0.178 -7.520 1.00 21.32 C ATOM 565 C ASP A 40 18.334 0.014 -7.354 1.00 64.14 C ATOM 566 O ASP A 40 19.016 0.480 -8.269 1.00 13.15 O ATOM 567 CB ASP A 40 16.550 -1.145 -8.672 1.00 5.13 C ATOM 568 CG ASP A 40 17.107 -0.649 -9.992 1.00 13.41 C ATOM 569 OD1 ASP A 40 18.120 -1.210 -10.458 1.00 25.23 O ATOM 570 OD2 ASP A 40 16.528 0.301 -10.560 1.00 32.23 O ATOM 0 H ASP A 40 15.987 1.304 -8.740 1.00 43.23 H new ATOM 0 HA ASP A 40 16.432 -0.600 -6.597 1.00 21.32 H new ATOM 0 HB2 ASP A 40 16.984 -2.117 -8.440 1.00 5.13 H new ATOM 0 HB3 ASP A 40 15.474 -1.291 -8.767 1.00 5.13 H new ATOM 575 N LEU A 41 18.846 -0.347 -6.183 1.00 24.10 N ATOM 576 CA LEU A 41 20.271 -0.214 -5.897 1.00 14.43 C ATOM 577 C LEU A 41 20.657 -1.028 -4.667 1.00 24.25 C ATOM 578 O LEU A 41 19.887 -1.864 -4.196 1.00 75.32 O ATOM 579 CB LEU A 41 20.632 1.257 -5.683 1.00 2.21 C ATOM 580 CG LEU A 41 21.956 1.719 -6.294 1.00 31.42 C ATOM 581 CD1 LEU A 41 21.710 2.476 -7.589 1.00 45.43 C ATOM 582 CD2 LEU A 41 22.727 2.583 -5.306 1.00 74.52 C ATOM 0 H LEU A 41 18.296 -0.734 -5.416 1.00 24.10 H new ATOM 0 HA LEU A 41 20.826 -0.598 -6.753 1.00 14.43 H new ATOM 0 HB2 LEU A 41 19.831 1.871 -6.095 1.00 2.21 H new ATOM 0 HB3 LEU A 41 20.662 1.451 -4.611 1.00 2.21 H new ATOM 0 HG LEU A 41 22.557 0.838 -6.521 1.00 31.42 H new ATOM 0 HD11 LEU A 41 22.663 2.797 -8.009 1.00 45.43 H new ATOM 0 HD12 LEU A 41 21.201 1.825 -8.300 1.00 45.43 H new ATOM 0 HD13 LEU A 41 21.090 3.349 -7.388 1.00 45.43 H new ATOM 0 HD21 LEU A 41 23.666 2.903 -5.758 1.00 74.52 H new ATOM 0 HD22 LEU A 41 22.132 3.459 -5.047 1.00 74.52 H new ATOM 0 HD23 LEU A 41 22.936 2.007 -4.404 1.00 74.52 H new ATOM 594 N MET A 42 21.855 -0.777 -4.149 1.00 45.43 N ATOM 595 CA MET A 42 22.343 -1.485 -2.971 1.00 51.42 C ATOM 596 C MET A 42 22.475 -0.537 -1.783 1.00 41.24 C ATOM 597 O MET A 42 23.221 0.440 -1.836 1.00 64.23 O ATOM 598 CB MET A 42 23.692 -2.142 -3.267 1.00 4.12 C ATOM 599 CG MET A 42 24.309 -2.833 -2.062 1.00 35.45 C ATOM 600 SD MET A 42 25.522 -1.803 -1.215 1.00 64.11 S ATOM 601 CE MET A 42 26.978 -2.106 -2.214 1.00 3.45 C ATOM 0 H MET A 42 22.506 -0.088 -4.527 1.00 45.43 H new ATOM 0 HA MET A 42 21.619 -2.259 -2.717 1.00 51.42 H new ATOM 0 HB2 MET A 42 23.564 -2.871 -4.067 1.00 4.12 H new ATOM 0 HB3 MET A 42 24.383 -1.384 -3.634 1.00 4.12 H new ATOM 0 HG2 MET A 42 23.520 -3.108 -1.362 1.00 35.45 H new ATOM 0 HG3 MET A 42 24.786 -3.759 -2.384 1.00 35.45 H new ATOM 0 HE1 MET A 42 27.818 -1.536 -1.816 1.00 3.45 H new ATOM 0 HE2 MET A 42 27.218 -3.169 -2.194 1.00 3.45 H new ATOM 0 HE3 MET A 42 26.785 -1.797 -3.241 1.00 3.45 H new ATOM 611 N GLY A 43 21.745 -0.832 -0.712 1.00 51.20 N ATOM 612 CA GLY A 43 21.795 0.004 0.473 1.00 1.12 C ATOM 613 C GLY A 43 21.189 -0.673 1.686 1.00 14.23 C ATOM 614 O GLY A 43 21.886 -1.042 2.631 1.00 0.24 O ATOM 0 H GLY A 43 21.120 -1.635 -0.644 1.00 51.20 H new ATOM 0 HA2 GLY A 43 22.832 0.265 0.686 1.00 1.12 H new ATOM 0 HA3 GLY A 43 21.265 0.937 0.279 1.00 1.12 H new ATOM 618 N PRO A 44 19.858 -0.843 1.670 1.00 22.13 N ATOM 619 CA PRO A 44 19.128 -1.480 2.771 1.00 45.23 C ATOM 620 C PRO A 44 19.417 -2.974 2.870 1.00 51.22 C ATOM 621 O PRO A 44 19.215 -3.586 3.918 1.00 63.30 O ATOM 622 CB PRO A 44 17.661 -1.242 2.408 1.00 54.53 C ATOM 623 CG PRO A 44 17.657 -1.085 0.926 1.00 5.32 C ATOM 624 CD PRO A 44 18.964 -0.428 0.577 1.00 41.34 C ATOM 0 HA PRO A 44 19.413 -1.071 3.740 1.00 45.23 H new ATOM 0 HB2 PRO A 44 17.036 -2.079 2.719 1.00 54.53 H new ATOM 0 HB3 PRO A 44 17.271 -0.352 2.901 1.00 54.53 H new ATOM 0 HG2 PRO A 44 17.561 -2.052 0.431 1.00 5.32 H new ATOM 0 HG3 PRO A 44 16.814 -0.475 0.600 1.00 5.32 H new ATOM 0 HD2 PRO A 44 19.334 -0.760 -0.393 1.00 41.34 H new ATOM 0 HD3 PRO A 44 18.868 0.657 0.527 1.00 41.34 H new ATOM 632 N ALA A 45 19.890 -3.554 1.772 1.00 23.51 N ATOM 633 CA ALA A 45 20.209 -4.976 1.737 1.00 72.43 C ATOM 634 C ALA A 45 21.535 -5.259 2.433 1.00 25.34 C ATOM 635 O ALA A 45 21.635 -6.173 3.253 1.00 45.13 O ATOM 636 CB ALA A 45 20.249 -5.473 0.299 1.00 42.40 C ATOM 0 H ALA A 45 20.061 -3.061 0.895 1.00 23.51 H new ATOM 0 HA ALA A 45 19.426 -5.512 2.274 1.00 72.43 H new ATOM 0 HB1 ALA A 45 20.488 -6.536 0.288 1.00 42.40 H new ATOM 0 HB2 ALA A 45 19.277 -5.315 -0.168 1.00 42.40 H new ATOM 0 HB3 ALA A 45 21.011 -4.924 -0.255 1.00 42.40 H new ATOM 642 N PHE A 46 22.552 -4.470 2.102 1.00 24.53 N ATOM 643 CA PHE A 46 23.874 -4.638 2.695 1.00 1.53 C ATOM 644 C PHE A 46 23.873 -4.201 4.157 1.00 4.24 C ATOM 645 O PHE A 46 24.739 -4.599 4.936 1.00 62.53 O ATOM 646 CB PHE A 46 24.913 -3.833 1.912 1.00 64.24 C ATOM 647 CG PHE A 46 26.327 -4.273 2.164 1.00 20.24 C ATOM 648 CD1 PHE A 46 26.919 -5.239 1.367 1.00 42.13 C ATOM 649 CD2 PHE A 46 27.064 -3.721 3.200 1.00 34.31 C ATOM 650 CE1 PHE A 46 28.220 -5.646 1.596 1.00 1.23 C ATOM 651 CE2 PHE A 46 28.365 -4.124 3.434 1.00 12.23 C ATOM 652 CZ PHE A 46 28.943 -5.088 2.632 1.00 24.13 C ATOM 0 H PHE A 46 22.486 -3.708 1.427 1.00 24.53 H new ATOM 0 HA PHE A 46 24.134 -5.696 2.650 1.00 1.53 H new ATOM 0 HB2 PHE A 46 24.699 -3.918 0.847 1.00 64.24 H new ATOM 0 HB3 PHE A 46 24.817 -2.779 2.174 1.00 64.24 H new ATOM 0 HD1 PHE A 46 26.357 -5.680 0.557 1.00 42.13 H new ATOM 0 HD2 PHE A 46 26.617 -2.968 3.831 1.00 34.31 H new ATOM 0 HE1 PHE A 46 28.670 -6.399 0.966 1.00 1.23 H new ATOM 0 HE2 PHE A 46 28.929 -3.685 4.244 1.00 12.23 H new ATOM 0 HZ PHE A 46 29.959 -5.405 2.815 1.00 24.13 H new ATOM 662 N ALA A 47 22.895 -3.379 4.523 1.00 43.54 N ATOM 663 CA ALA A 47 22.780 -2.888 5.890 1.00 21.45 C ATOM 664 C ALA A 47 22.277 -3.983 6.825 1.00 21.04 C ATOM 665 O ALA A 47 22.644 -4.027 7.999 1.00 1.11 O ATOM 666 CB ALA A 47 21.856 -1.681 5.942 1.00 35.14 C ATOM 0 H ALA A 47 22.170 -3.039 3.891 1.00 43.54 H new ATOM 0 HA ALA A 47 23.772 -2.586 6.226 1.00 21.45 H new ATOM 0 HB1 ALA A 47 21.780 -1.325 6.969 1.00 35.14 H new ATOM 0 HB2 ALA A 47 22.258 -0.888 5.312 1.00 35.14 H new ATOM 0 HB3 ALA A 47 20.867 -1.964 5.582 1.00 35.14 H new ATOM 672 N ALA A 48 21.434 -4.865 6.297 1.00 4.43 N ATOM 673 CA ALA A 48 20.882 -5.960 7.085 1.00 41.04 C ATOM 674 C ALA A 48 21.734 -7.217 6.949 1.00 22.43 C ATOM 675 O ALA A 48 21.706 -8.094 7.812 1.00 3.33 O ATOM 676 CB ALA A 48 19.448 -6.244 6.662 1.00 44.54 C ATOM 0 H ALA A 48 21.119 -4.842 5.327 1.00 4.43 H new ATOM 0 HA ALA A 48 20.887 -5.660 8.133 1.00 41.04 H new ATOM 0 HB1 ALA A 48 19.048 -7.064 7.259 1.00 44.54 H new ATOM 0 HB2 ALA A 48 18.840 -5.353 6.816 1.00 44.54 H new ATOM 0 HB3 ALA A 48 19.427 -6.519 5.607 1.00 44.54 H new ATOM 682 N GLY A 49 22.491 -7.300 5.859 1.00 1.52 N ATOM 683 CA GLY A 49 23.340 -8.454 5.631 1.00 71.22 C ATOM 684 C GLY A 49 22.715 -9.454 4.678 1.00 12.02 C ATOM 685 O GLY A 49 23.145 -10.606 4.605 1.00 42.24 O ATOM 0 H GLY A 49 22.531 -6.588 5.130 1.00 1.52 H new ATOM 0 HA2 GLY A 49 24.298 -8.123 5.229 1.00 71.22 H new ATOM 0 HA3 GLY A 49 23.546 -8.944 6.583 1.00 71.22 H new ATOM 689 N LEU A 50 21.696 -9.015 3.948 1.00 72.14 N ATOM 690 CA LEU A 50 21.008 -9.880 2.995 1.00 24.44 C ATOM 691 C LEU A 50 21.921 -10.236 1.826 1.00 73.21 C ATOM 692 O LEU A 50 22.272 -9.378 1.017 1.00 44.43 O ATOM 693 CB LEU A 50 19.741 -9.198 2.479 1.00 53.22 C ATOM 694 CG LEU A 50 18.751 -8.725 3.544 1.00 3.24 C ATOM 695 CD1 LEU A 50 17.991 -7.500 3.061 1.00 42.42 C ATOM 696 CD2 LEU A 50 17.786 -9.843 3.910 1.00 24.23 C ATOM 0 H LEU A 50 21.327 -8.065 3.997 1.00 72.14 H new ATOM 0 HA LEU A 50 20.733 -10.800 3.510 1.00 24.44 H new ATOM 0 HB2 LEU A 50 20.035 -8.338 1.877 1.00 53.22 H new ATOM 0 HB3 LEU A 50 19.225 -9.891 1.814 1.00 53.22 H new ATOM 0 HG LEU A 50 19.313 -8.450 4.437 1.00 3.24 H new ATOM 0 HD11 LEU A 50 17.291 -7.178 3.832 1.00 42.42 H new ATOM 0 HD12 LEU A 50 18.695 -6.695 2.851 1.00 42.42 H new ATOM 0 HD13 LEU A 50 17.441 -7.748 2.153 1.00 42.42 H new ATOM 0 HD21 LEU A 50 17.089 -9.488 4.669 1.00 24.23 H new ATOM 0 HD22 LEU A 50 17.231 -10.150 3.023 1.00 24.23 H new ATOM 0 HD23 LEU A 50 18.345 -10.693 4.300 1.00 24.23 H new ATOM 708 N ARG A 51 22.298 -11.508 1.742 1.00 5.43 N ATOM 709 CA ARG A 51 23.169 -11.977 0.671 1.00 31.21 C ATOM 710 C ARG A 51 22.759 -13.373 0.209 1.00 14.55 C ATOM 711 O ARG A 51 21.917 -14.021 0.831 1.00 54.12 O ATOM 712 CB ARG A 51 24.626 -11.991 1.138 1.00 53.53 C ATOM 713 CG ARG A 51 25.334 -10.658 0.960 1.00 44.30 C ATOM 714 CD ARG A 51 26.521 -10.779 0.017 1.00 23.22 C ATOM 715 NE ARG A 51 27.785 -10.897 0.740 1.00 33.42 N ATOM 716 CZ ARG A 51 28.976 -10.797 0.160 1.00 34.12 C ATOM 717 NH1 ARG A 51 29.065 -10.578 -1.144 1.00 51.33 N ATOM 718 NH2 ARG A 51 30.080 -10.916 0.886 1.00 43.15 N ATOM 0 H ARG A 51 22.014 -12.232 2.402 1.00 5.43 H new ATOM 0 HA ARG A 51 23.071 -11.290 -0.170 1.00 31.21 H new ATOM 0 HB2 ARG A 51 24.659 -12.273 2.190 1.00 53.53 H new ATOM 0 HB3 ARG A 51 25.169 -12.758 0.585 1.00 53.53 H new ATOM 0 HG2 ARG A 51 24.632 -9.921 0.570 1.00 44.30 H new ATOM 0 HG3 ARG A 51 25.674 -10.293 1.929 1.00 44.30 H new ATOM 0 HD2 ARG A 51 26.387 -11.650 -0.624 1.00 23.22 H new ATOM 0 HD3 ARG A 51 26.556 -9.906 -0.635 1.00 23.22 H new ATOM 0 HE ARG A 51 27.751 -11.065 1.745 1.00 33.42 H new ATOM 0 HH11 ARG A 51 28.218 -10.486 -1.705 1.00 51.33 H new ATOM 0 HH12 ARG A 51 29.981 -10.502 -1.587 1.00 51.33 H new ATOM 0 HH21 ARG A 51 30.015 -11.084 1.890 1.00 43.15 H new ATOM 0 HH22 ARG A 51 30.994 -10.839 0.440 1.00 43.15 H new ATOM 732 N VAL A 52 23.359 -13.829 -0.885 1.00 43.52 N ATOM 733 CA VAL A 52 23.057 -15.147 -1.430 1.00 42.32 C ATOM 734 C VAL A 52 23.263 -16.235 -0.382 1.00 53.23 C ATOM 735 O VAL A 52 24.281 -16.263 0.308 1.00 52.53 O ATOM 736 CB VAL A 52 23.932 -15.460 -2.658 1.00 62.24 C ATOM 737 CG1 VAL A 52 23.806 -14.358 -3.699 1.00 71.44 C ATOM 738 CG2 VAL A 52 25.384 -15.650 -2.244 1.00 15.53 C ATOM 0 H VAL A 52 24.058 -13.305 -1.412 1.00 43.52 H new ATOM 0 HA VAL A 52 22.010 -15.132 -1.733 1.00 42.32 H new ATOM 0 HB VAL A 52 23.581 -16.390 -3.104 1.00 62.24 H new ATOM 0 HG11 VAL A 52 24.431 -14.597 -4.559 1.00 71.44 H new ATOM 0 HG12 VAL A 52 22.767 -14.276 -4.018 1.00 71.44 H new ATOM 0 HG13 VAL A 52 24.129 -13.411 -3.267 1.00 71.44 H new ATOM 0 HG21 VAL A 52 25.988 -15.870 -3.124 1.00 15.53 H new ATOM 0 HG22 VAL A 52 25.750 -14.738 -1.772 1.00 15.53 H new ATOM 0 HG23 VAL A 52 25.456 -16.478 -1.538 1.00 15.53 H new ATOM 748 N GLY A 53 22.288 -17.132 -0.269 1.00 15.40 N ATOM 749 CA GLY A 53 22.381 -18.211 0.697 1.00 54.31 C ATOM 750 C GLY A 53 21.483 -17.992 1.899 1.00 42.02 C ATOM 751 O GLY A 53 21.501 -18.778 2.846 1.00 14.13 O ATOM 0 H GLY A 53 21.436 -17.131 -0.829 1.00 15.40 H new ATOM 0 HA2 GLY A 53 22.114 -19.151 0.214 1.00 54.31 H new ATOM 0 HA3 GLY A 53 23.414 -18.307 1.032 1.00 54.31 H new ATOM 755 N ASP A 54 20.698 -16.921 1.862 1.00 60.14 N ATOM 756 CA ASP A 54 19.790 -16.601 2.957 1.00 53.44 C ATOM 757 C ASP A 54 18.362 -17.020 2.619 1.00 24.33 C ATOM 758 O ASP A 54 17.743 -16.470 1.709 1.00 20.51 O ATOM 759 CB ASP A 54 19.835 -15.103 3.263 1.00 1.23 C ATOM 760 CG ASP A 54 20.660 -14.789 4.496 1.00 61.01 C ATOM 761 OD1 ASP A 54 21.706 -14.120 4.356 1.00 33.31 O ATOM 762 OD2 ASP A 54 20.260 -15.211 5.601 1.00 73.34 O ATOM 0 H ASP A 54 20.672 -16.260 1.086 1.00 60.14 H new ATOM 0 HA ASP A 54 20.114 -17.155 3.838 1.00 53.44 H new ATOM 0 HB2 ASP A 54 20.251 -14.572 2.406 1.00 1.23 H new ATOM 0 HB3 ASP A 54 18.819 -14.733 3.405 1.00 1.23 H new ATOM 767 N GLN A 55 17.848 -17.998 3.358 1.00 23.04 N ATOM 768 CA GLN A 55 16.495 -18.492 3.136 1.00 73.33 C ATOM 769 C GLN A 55 15.462 -17.537 3.726 1.00 65.21 C ATOM 770 O GLN A 55 15.606 -17.073 4.858 1.00 45.43 O ATOM 771 CB GLN A 55 16.330 -19.883 3.750 1.00 74.41 C ATOM 772 CG GLN A 55 17.375 -20.883 3.282 1.00 71.01 C ATOM 773 CD GLN A 55 17.184 -22.257 3.894 1.00 50.21 C ATOM 774 OE1 GLN A 55 17.558 -22.495 5.043 1.00 43.15 O ATOM 775 NE2 GLN A 55 16.598 -23.170 3.128 1.00 25.12 N ATOM 0 H GLN A 55 18.348 -18.463 4.115 1.00 23.04 H new ATOM 0 HA GLN A 55 16.331 -18.555 2.060 1.00 73.33 H new ATOM 0 HB2 GLN A 55 16.379 -19.800 4.836 1.00 74.41 H new ATOM 0 HB3 GLN A 55 15.339 -20.264 3.504 1.00 74.41 H new ATOM 0 HG2 GLN A 55 17.334 -20.964 2.196 1.00 71.01 H new ATOM 0 HG3 GLN A 55 18.368 -20.511 3.536 1.00 71.01 H new ATOM 0 HE21 GLN A 55 16.304 -22.929 2.181 1.00 25.12 H new ATOM 0 HE22 GLN A 55 16.442 -24.112 3.486 1.00 25.12 H new ATOM 784 N LEU A 56 14.422 -17.247 2.953 1.00 72.42 N ATOM 785 CA LEU A 56 13.364 -16.347 3.399 1.00 45.32 C ATOM 786 C LEU A 56 11.994 -17.000 3.251 1.00 62.03 C ATOM 787 O LEU A 56 11.554 -17.300 2.141 1.00 43.24 O ATOM 788 CB LEU A 56 13.409 -15.042 2.602 1.00 51.04 C ATOM 789 CG LEU A 56 14.101 -15.111 1.240 1.00 42.41 C ATOM 790 CD1 LEU A 56 13.301 -15.975 0.278 1.00 65.14 C ATOM 791 CD2 LEU A 56 14.295 -13.713 0.669 1.00 23.43 C ATOM 0 H LEU A 56 14.288 -17.622 2.014 1.00 72.42 H new ATOM 0 HA LEU A 56 13.528 -16.128 4.454 1.00 45.32 H new ATOM 0 HB2 LEU A 56 12.386 -14.697 2.450 1.00 51.04 H new ATOM 0 HB3 LEU A 56 13.914 -14.288 3.206 1.00 51.04 H new ATOM 0 HG LEU A 56 15.082 -15.566 1.375 1.00 42.41 H new ATOM 0 HD11 LEU A 56 13.809 -16.012 -0.686 1.00 65.14 H new ATOM 0 HD12 LEU A 56 13.214 -16.984 0.682 1.00 65.14 H new ATOM 0 HD13 LEU A 56 12.306 -15.549 0.148 1.00 65.14 H new ATOM 0 HD21 LEU A 56 14.789 -13.781 -0.300 1.00 23.43 H new ATOM 0 HD22 LEU A 56 13.325 -13.231 0.549 1.00 23.43 H new ATOM 0 HD23 LEU A 56 14.911 -13.124 1.349 1.00 23.43 H new ATOM 803 N VAL A 57 11.322 -17.216 4.377 1.00 24.42 N ATOM 804 CA VAL A 57 10.000 -17.831 4.373 1.00 43.10 C ATOM 805 C VAL A 57 8.953 -16.885 4.949 1.00 53.21 C ATOM 806 O VAL A 57 7.809 -16.857 4.494 1.00 61.43 O ATOM 807 CB VAL A 57 9.989 -19.144 5.179 1.00 51.43 C ATOM 808 CG1 VAL A 57 10.884 -20.182 4.520 1.00 24.14 C ATOM 809 CG2 VAL A 57 10.420 -18.890 6.615 1.00 35.15 C ATOM 0 H VAL A 57 11.672 -16.974 5.304 1.00 24.42 H new ATOM 0 HA VAL A 57 9.756 -18.050 3.334 1.00 43.10 H new ATOM 0 HB VAL A 57 8.971 -19.534 5.193 1.00 51.43 H new ATOM 0 HG11 VAL A 57 10.864 -21.103 5.103 1.00 24.14 H new ATOM 0 HG12 VAL A 57 10.525 -20.384 3.511 1.00 24.14 H new ATOM 0 HG13 VAL A 57 11.905 -19.805 4.473 1.00 24.14 H new ATOM 0 HG21 VAL A 57 10.407 -19.828 7.170 1.00 35.15 H new ATOM 0 HG22 VAL A 57 11.429 -18.477 6.624 1.00 35.15 H new ATOM 0 HG23 VAL A 57 9.734 -18.183 7.081 1.00 35.15 H new ATOM 819 N ARG A 58 9.351 -16.110 5.952 1.00 1.14 N ATOM 820 CA ARG A 58 8.446 -15.162 6.592 1.00 62.24 C ATOM 821 C ARG A 58 7.152 -15.849 7.018 1.00 23.15 C ATOM 822 O ARG A 58 6.091 -15.226 7.061 1.00 22.21 O ATOM 823 CB ARG A 58 8.132 -14.004 5.642 1.00 23.42 C ATOM 824 CG ARG A 58 7.468 -12.820 6.325 1.00 43.11 C ATOM 825 CD ARG A 58 8.465 -11.704 6.598 1.00 33.24 C ATOM 826 NE ARG A 58 9.103 -11.228 5.374 1.00 22.32 N ATOM 827 CZ ARG A 58 9.717 -10.055 5.274 1.00 5.20 C ATOM 828 NH1 ARG A 58 9.776 -9.242 6.320 1.00 24.20 N ATOM 829 NH2 ARG A 58 10.275 -9.692 4.126 1.00 71.22 N ATOM 0 H ARG A 58 10.294 -16.120 6.340 1.00 1.14 H new ATOM 0 HA ARG A 58 8.939 -14.770 7.482 1.00 62.24 H new ATOM 0 HB2 ARG A 58 9.057 -13.670 5.172 1.00 23.42 H new ATOM 0 HB3 ARG A 58 7.482 -14.365 4.845 1.00 23.42 H new ATOM 0 HG2 ARG A 58 6.660 -12.443 5.698 1.00 43.11 H new ATOM 0 HG3 ARG A 58 7.018 -13.145 7.263 1.00 43.11 H new ATOM 0 HD2 ARG A 58 7.955 -10.874 7.087 1.00 33.24 H new ATOM 0 HD3 ARG A 58 9.228 -12.061 7.289 1.00 33.24 H new ATOM 0 HE ARG A 58 9.076 -11.829 4.551 1.00 22.32 H new ATOM 0 HH11 ARG A 58 9.349 -9.517 7.205 1.00 24.20 H new ATOM 0 HH12 ARG A 58 10.248 -8.342 6.240 1.00 24.20 H new ATOM 0 HH21 ARG A 58 10.233 -10.314 3.319 1.00 71.22 H new ATOM 0 HH22 ARG A 58 10.746 -8.791 4.051 1.00 71.22 H new ATOM 843 N PHE A 59 7.248 -17.137 7.333 1.00 0.33 N ATOM 844 CA PHE A 59 6.085 -17.909 7.755 1.00 3.04 C ATOM 845 C PHE A 59 6.421 -18.784 8.960 1.00 44.33 C ATOM 846 O PHE A 59 7.555 -19.239 9.113 1.00 54.51 O ATOM 847 CB PHE A 59 5.580 -18.780 6.604 1.00 54.05 C ATOM 848 CG PHE A 59 4.369 -19.597 6.956 1.00 5.22 C ATOM 849 CD1 PHE A 59 4.504 -20.898 7.412 1.00 65.21 C ATOM 850 CD2 PHE A 59 3.097 -19.063 6.832 1.00 72.25 C ATOM 851 CE1 PHE A 59 3.393 -21.653 7.738 1.00 50.43 C ATOM 852 CE2 PHE A 59 1.982 -19.813 7.156 1.00 12.52 C ATOM 853 CZ PHE A 59 2.130 -21.109 7.609 1.00 71.14 C ATOM 0 H PHE A 59 8.119 -17.668 7.304 1.00 0.33 H new ATOM 0 HA PHE A 59 5.301 -17.209 8.043 1.00 3.04 H new ATOM 0 HB2 PHE A 59 5.343 -18.142 5.753 1.00 54.05 H new ATOM 0 HB3 PHE A 59 6.380 -19.449 6.287 1.00 54.05 H new ATOM 0 HD1 PHE A 59 5.490 -21.328 7.514 1.00 65.21 H new ATOM 0 HD2 PHE A 59 2.975 -18.050 6.478 1.00 72.25 H new ATOM 0 HE1 PHE A 59 3.512 -22.666 8.093 1.00 50.43 H new ATOM 0 HE2 PHE A 59 0.995 -19.385 7.055 1.00 12.52 H new ATOM 0 HZ PHE A 59 1.260 -21.696 7.862 1.00 71.14 H new ATOM 863 N ALA A 60 5.428 -19.014 9.812 1.00 50.11 N ATOM 864 CA ALA A 60 5.617 -19.835 11.002 1.00 52.54 C ATOM 865 C ALA A 60 5.768 -21.307 10.635 1.00 54.14 C ATOM 866 O ALA A 60 4.802 -21.962 10.246 1.00 55.01 O ATOM 867 CB ALA A 60 4.453 -19.645 11.964 1.00 44.14 C ATOM 0 H ALA A 60 4.484 -18.644 9.701 1.00 50.11 H new ATOM 0 HA ALA A 60 6.536 -19.514 11.493 1.00 52.54 H new ATOM 0 HB1 ALA A 60 4.607 -20.264 12.848 1.00 44.14 H new ATOM 0 HB2 ALA A 60 4.393 -18.598 12.260 1.00 44.14 H new ATOM 0 HB3 ALA A 60 3.524 -19.937 11.474 1.00 44.14 H new ATOM 873 N GLY A 61 6.987 -21.822 10.760 1.00 2.32 N ATOM 874 CA GLY A 61 7.242 -23.213 10.437 1.00 71.32 C ATOM 875 C GLY A 61 8.482 -23.393 9.584 1.00 2.30 C ATOM 876 O GLY A 61 8.847 -24.516 9.235 1.00 3.35 O ATOM 0 H GLY A 61 7.803 -21.300 11.079 1.00 2.32 H new ATOM 0 HA2 GLY A 61 7.354 -23.782 11.360 1.00 71.32 H new ATOM 0 HA3 GLY A 61 6.380 -23.624 9.911 1.00 71.32 H new ATOM 880 N TYR A 62 9.131 -22.284 9.246 1.00 52.03 N ATOM 881 CA TYR A 62 10.335 -22.323 8.425 1.00 61.44 C ATOM 882 C TYR A 62 10.045 -22.945 7.062 1.00 63.21 C ATOM 883 O TYR A 62 10.856 -23.701 6.525 1.00 31.33 O ATOM 884 CB TYR A 62 11.436 -23.113 9.134 1.00 31.34 C ATOM 885 CG TYR A 62 11.517 -22.839 10.619 1.00 2.30 C ATOM 886 CD1 TYR A 62 11.689 -23.875 11.529 1.00 71.04 C ATOM 887 CD2 TYR A 62 11.421 -21.543 11.112 1.00 22.44 C ATOM 888 CE1 TYR A 62 11.763 -23.629 12.886 1.00 30.11 C ATOM 889 CE2 TYR A 62 11.496 -21.288 12.468 1.00 73.01 C ATOM 890 CZ TYR A 62 11.666 -22.334 13.351 1.00 44.03 C ATOM 891 OH TYR A 62 11.740 -22.084 14.702 1.00 54.22 O ATOM 0 H TYR A 62 8.843 -21.347 9.528 1.00 52.03 H new ATOM 0 HA TYR A 62 10.673 -21.298 8.272 1.00 61.44 H new ATOM 0 HB2 TYR A 62 11.265 -24.178 8.978 1.00 31.34 H new ATOM 0 HB3 TYR A 62 12.396 -22.874 8.676 1.00 31.34 H new ATOM 0 HD1 TYR A 62 11.766 -24.890 11.169 1.00 71.04 H new ATOM 0 HD2 TYR A 62 11.286 -20.722 10.424 1.00 22.44 H new ATOM 0 HE1 TYR A 62 11.896 -24.446 13.579 1.00 30.11 H new ATOM 0 HE2 TYR A 62 11.422 -20.275 12.835 1.00 73.01 H new ATOM 0 HH TYR A 62 11.655 -21.121 14.862 1.00 54.22 H new ATOM 901 N THR A 63 8.882 -22.621 6.506 1.00 41.31 N ATOM 902 CA THR A 63 8.483 -23.146 5.206 1.00 21.35 C ATOM 903 C THR A 63 7.917 -22.045 4.318 1.00 51.40 C ATOM 904 O THR A 63 7.330 -21.079 4.807 1.00 71.23 O ATOM 905 CB THR A 63 7.433 -24.264 5.351 1.00 20.00 C ATOM 906 OG1 THR A 63 6.930 -24.633 4.062 1.00 30.32 O ATOM 907 CG2 THR A 63 6.283 -23.815 6.240 1.00 3.31 C ATOM 0 H THR A 63 8.199 -21.997 6.936 1.00 41.31 H new ATOM 0 HA THR A 63 9.380 -23.557 4.742 1.00 21.35 H new ATOM 0 HB THR A 63 7.914 -25.126 5.814 1.00 20.00 H new ATOM 0 HG1 THR A 63 6.264 -25.345 4.162 1.00 30.32 H new ATOM 0 HG21 THR A 63 5.554 -24.621 6.327 1.00 3.31 H new ATOM 0 HG22 THR A 63 6.665 -23.562 7.229 1.00 3.31 H new ATOM 0 HG23 THR A 63 5.804 -22.939 5.801 1.00 3.31 H new ATOM 915 N VAL A 64 8.096 -22.195 3.009 1.00 21.34 N ATOM 916 CA VAL A 64 7.601 -21.213 2.052 1.00 62.50 C ATOM 917 C VAL A 64 7.216 -21.877 0.734 1.00 14.45 C ATOM 918 O VAL A 64 7.666 -22.981 0.426 1.00 11.34 O ATOM 919 CB VAL A 64 8.650 -20.120 1.776 1.00 24.20 C ATOM 920 CG1 VAL A 64 9.770 -20.663 0.901 1.00 22.14 C ATOM 921 CG2 VAL A 64 7.998 -18.907 1.130 1.00 62.44 C ATOM 0 H VAL A 64 8.580 -22.988 2.587 1.00 21.34 H new ATOM 0 HA VAL A 64 6.718 -20.754 2.497 1.00 62.50 H new ATOM 0 HB VAL A 64 9.083 -19.808 2.726 1.00 24.20 H new ATOM 0 HG11 VAL A 64 10.502 -19.876 0.717 1.00 22.14 H new ATOM 0 HG12 VAL A 64 10.255 -21.498 1.407 1.00 22.14 H new ATOM 0 HG13 VAL A 64 9.357 -21.004 -0.048 1.00 22.14 H new ATOM 0 HG21 VAL A 64 8.754 -18.145 0.942 1.00 62.44 H new ATOM 0 HG22 VAL A 64 7.537 -19.201 0.187 1.00 62.44 H new ATOM 0 HG23 VAL A 64 7.236 -18.505 1.797 1.00 62.44 H new ATOM 931 N THR A 65 6.379 -21.195 -0.042 1.00 75.40 N ATOM 932 CA THR A 65 5.931 -21.718 -1.327 1.00 22.02 C ATOM 933 C THR A 65 7.017 -21.574 -2.387 1.00 60.50 C ATOM 934 O THR A 65 7.651 -22.555 -2.775 1.00 3.02 O ATOM 935 CB THR A 65 4.657 -21.001 -1.812 1.00 45.44 C ATOM 936 OG1 THR A 65 3.598 -21.191 -0.868 1.00 73.35 O ATOM 937 CG2 THR A 65 4.229 -21.522 -3.176 1.00 1.03 C ATOM 0 H THR A 65 5.998 -20.280 0.197 1.00 75.40 H new ATOM 0 HA THR A 65 5.709 -22.775 -1.179 1.00 22.02 H new ATOM 0 HB THR A 65 4.876 -19.937 -1.900 1.00 45.44 H new ATOM 0 HG1 THR A 65 2.792 -20.731 -1.183 1.00 73.35 H new ATOM 0 HG21 THR A 65 3.327 -21.001 -3.498 1.00 1.03 H new ATOM 0 HG22 THR A 65 5.026 -21.348 -3.899 1.00 1.03 H new ATOM 0 HG23 THR A 65 4.026 -22.591 -3.110 1.00 1.03 H new ATOM 945 N GLU A 66 7.226 -20.346 -2.851 1.00 70.41 N ATOM 946 CA GLU A 66 8.236 -20.076 -3.867 1.00 63.23 C ATOM 947 C GLU A 66 8.414 -18.574 -4.072 1.00 73.43 C ATOM 948 O GLU A 66 7.896 -17.766 -3.301 1.00 4.53 O ATOM 949 CB GLU A 66 7.851 -20.741 -5.191 1.00 10.43 C ATOM 950 CG GLU A 66 6.580 -20.179 -5.806 1.00 64.23 C ATOM 951 CD GLU A 66 6.658 -20.082 -7.318 1.00 1.34 C ATOM 952 OE1 GLU A 66 6.710 -21.141 -7.978 1.00 12.42 O ATOM 953 OE2 GLU A 66 6.668 -18.948 -7.840 1.00 15.42 O ATOM 0 H GLU A 66 6.710 -19.523 -2.540 1.00 70.41 H new ATOM 0 HA GLU A 66 9.182 -20.493 -3.521 1.00 63.23 H new ATOM 0 HB2 GLU A 66 8.671 -20.623 -5.899 1.00 10.43 H new ATOM 0 HB3 GLU A 66 7.723 -21.811 -5.027 1.00 10.43 H new ATOM 0 HG2 GLU A 66 5.736 -20.811 -5.529 1.00 64.23 H new ATOM 0 HG3 GLU A 66 6.387 -19.190 -5.391 1.00 64.23 H new ATOM 960 N LEU A 67 9.149 -18.209 -5.117 1.00 13.23 N ATOM 961 CA LEU A 67 9.396 -16.804 -5.424 1.00 72.42 C ATOM 962 C LEU A 67 8.086 -16.027 -5.511 1.00 62.32 C ATOM 963 O LEU A 67 8.014 -14.866 -5.109 1.00 71.52 O ATOM 964 CB LEU A 67 10.165 -16.678 -6.740 1.00 45.21 C ATOM 965 CG LEU A 67 9.403 -17.075 -8.005 1.00 12.24 C ATOM 966 CD1 LEU A 67 8.649 -15.881 -8.570 1.00 62.13 C ATOM 967 CD2 LEU A 67 10.355 -17.648 -9.044 1.00 2.10 C ATOM 0 H LEU A 67 9.584 -18.865 -5.765 1.00 13.23 H new ATOM 0 HA LEU A 67 9.995 -16.381 -4.618 1.00 72.42 H new ATOM 0 HB2 LEU A 67 10.494 -15.644 -6.848 1.00 45.21 H new ATOM 0 HB3 LEU A 67 11.063 -17.293 -6.673 1.00 45.21 H new ATOM 0 HG LEU A 67 8.678 -17.846 -7.743 1.00 12.24 H new ATOM 0 HD11 LEU A 67 8.113 -16.182 -9.470 1.00 62.13 H new ATOM 0 HD12 LEU A 67 7.938 -15.516 -7.829 1.00 62.13 H new ATOM 0 HD13 LEU A 67 9.355 -15.088 -8.817 1.00 62.13 H new ATOM 0 HD21 LEU A 67 9.795 -17.925 -9.937 1.00 2.10 H new ATOM 0 HD22 LEU A 67 11.104 -16.900 -9.303 1.00 2.10 H new ATOM 0 HD23 LEU A 67 10.849 -18.530 -8.637 1.00 2.10 H new ATOM 979 N ALA A 68 7.053 -16.677 -6.037 1.00 14.31 N ATOM 980 CA ALA A 68 5.744 -16.048 -6.172 1.00 65.35 C ATOM 981 C ALA A 68 5.213 -15.589 -4.819 1.00 2.11 C ATOM 982 O ALA A 68 4.605 -14.525 -4.709 1.00 2.30 O ATOM 983 CB ALA A 68 4.763 -17.008 -6.829 1.00 22.34 C ATOM 0 H ALA A 68 7.097 -17.638 -6.376 1.00 14.31 H new ATOM 0 HA ALA A 68 5.854 -15.168 -6.806 1.00 65.35 H new ATOM 0 HB1 ALA A 68 3.790 -16.526 -6.924 1.00 22.34 H new ATOM 0 HB2 ALA A 68 5.130 -17.283 -7.818 1.00 22.34 H new ATOM 0 HB3 ALA A 68 4.666 -17.904 -6.217 1.00 22.34 H new ATOM 989 N ALA A 69 5.446 -16.399 -3.791 1.00 42.32 N ATOM 990 CA ALA A 69 4.992 -16.074 -2.445 1.00 20.23 C ATOM 991 C ALA A 69 5.754 -14.880 -1.881 1.00 44.11 C ATOM 992 O ALA A 69 5.199 -14.071 -1.138 1.00 11.51 O ATOM 993 CB ALA A 69 5.147 -17.281 -1.531 1.00 14.45 C ATOM 0 H ALA A 69 5.946 -17.285 -3.865 1.00 42.32 H new ATOM 0 HA ALA A 69 3.937 -15.805 -2.499 1.00 20.23 H new ATOM 0 HB1 ALA A 69 4.804 -17.025 -0.529 1.00 14.45 H new ATOM 0 HB2 ALA A 69 4.552 -18.109 -1.917 1.00 14.45 H new ATOM 0 HB3 ALA A 69 6.196 -17.575 -1.492 1.00 14.45 H new ATOM 999 N PHE A 70 7.030 -14.776 -2.239 1.00 1.14 N ATOM 1000 CA PHE A 70 7.870 -13.681 -1.767 1.00 15.23 C ATOM 1001 C PHE A 70 7.474 -12.366 -2.433 1.00 32.32 C ATOM 1002 O PHE A 70 7.577 -11.298 -1.831 1.00 75.05 O ATOM 1003 CB PHE A 70 9.343 -13.983 -2.045 1.00 63.32 C ATOM 1004 CG PHE A 70 10.265 -12.851 -1.691 1.00 31.30 C ATOM 1005 CD1 PHE A 70 10.633 -11.916 -2.644 1.00 63.15 C ATOM 1006 CD2 PHE A 70 10.763 -12.723 -0.404 1.00 42.14 C ATOM 1007 CE1 PHE A 70 11.481 -10.873 -2.322 1.00 12.02 C ATOM 1008 CE2 PHE A 70 11.611 -11.682 -0.076 1.00 13.22 C ATOM 1009 CZ PHE A 70 11.971 -10.756 -1.036 1.00 31.41 C ATOM 0 H PHE A 70 7.505 -15.437 -2.854 1.00 1.14 H new ATOM 0 HA PHE A 70 7.724 -13.582 -0.691 1.00 15.23 H new ATOM 0 HB2 PHE A 70 9.636 -14.869 -1.482 1.00 63.32 H new ATOM 0 HB3 PHE A 70 9.463 -14.222 -3.102 1.00 63.32 H new ATOM 0 HD1 PHE A 70 10.253 -12.003 -3.651 1.00 63.15 H new ATOM 0 HD2 PHE A 70 10.486 -13.444 0.351 1.00 42.14 H new ATOM 0 HE1 PHE A 70 11.760 -10.151 -3.075 1.00 12.02 H new ATOM 0 HE2 PHE A 70 11.992 -11.592 0.931 1.00 13.22 H new ATOM 0 HZ PHE A 70 12.634 -9.942 -0.781 1.00 31.41 H new ATOM 1019 N ASN A 71 7.021 -12.454 -3.679 1.00 64.25 N ATOM 1020 CA ASN A 71 6.611 -11.272 -4.429 1.00 21.22 C ATOM 1021 C ASN A 71 5.472 -10.547 -3.719 1.00 54.15 C ATOM 1022 O ASN A 71 5.407 -9.317 -3.721 1.00 32.14 O ATOM 1023 CB ASN A 71 6.179 -11.664 -5.843 1.00 71.12 C ATOM 1024 CG ASN A 71 5.800 -10.462 -6.686 1.00 45.42 C ATOM 1025 OD1 ASN A 71 4.887 -9.711 -6.342 1.00 71.44 O ATOM 1026 ND2 ASN A 71 6.503 -10.273 -7.797 1.00 62.31 N ATOM 0 H ASN A 71 6.928 -13.331 -4.191 1.00 64.25 H new ATOM 0 HA ASN A 71 7.465 -10.597 -4.492 1.00 21.22 H new ATOM 0 HB2 ASN A 71 6.990 -12.205 -6.331 1.00 71.12 H new ATOM 0 HB3 ASN A 71 5.330 -12.346 -5.785 1.00 71.12 H new ATOM 0 HD21 ASN A 71 6.295 -9.480 -8.404 1.00 62.31 H new ATOM 0 HD22 ASN A 71 7.251 -10.921 -8.043 1.00 62.31 H new ATOM 1033 N THR A 72 4.574 -11.317 -3.113 1.00 74.20 N ATOM 1034 CA THR A 72 3.436 -10.749 -2.400 1.00 63.32 C ATOM 1035 C THR A 72 3.876 -10.097 -1.095 1.00 11.44 C ATOM 1036 O THR A 72 3.363 -9.046 -0.711 1.00 15.35 O ATOM 1037 CB THR A 72 2.374 -11.821 -2.093 1.00 32.44 C ATOM 1038 OG1 THR A 72 2.880 -13.120 -2.420 1.00 33.54 O ATOM 1039 CG2 THR A 72 1.096 -11.557 -2.875 1.00 63.33 C ATOM 0 H THR A 72 4.613 -12.336 -3.102 1.00 74.20 H new ATOM 0 HA THR A 72 2.999 -9.992 -3.052 1.00 63.32 H new ATOM 0 HB THR A 72 2.145 -11.779 -1.028 1.00 32.44 H new ATOM 0 HG1 THR A 72 3.618 -13.345 -1.815 1.00 33.54 H new ATOM 0 HG21 THR A 72 0.361 -12.327 -2.642 1.00 63.33 H new ATOM 0 HG22 THR A 72 0.697 -10.580 -2.601 1.00 63.33 H new ATOM 0 HG23 THR A 72 1.313 -11.574 -3.943 1.00 63.33 H new ATOM 1047 N VAL A 73 4.830 -10.726 -0.416 1.00 2.42 N ATOM 1048 CA VAL A 73 5.341 -10.205 0.847 1.00 55.44 C ATOM 1049 C VAL A 73 6.171 -8.945 0.626 1.00 70.32 C ATOM 1050 O VAL A 73 5.964 -7.928 1.287 1.00 11.05 O ATOM 1051 CB VAL A 73 6.200 -11.252 1.579 1.00 5.53 C ATOM 1052 CG1 VAL A 73 6.819 -10.652 2.833 1.00 44.13 C ATOM 1053 CG2 VAL A 73 5.369 -12.479 1.920 1.00 22.11 C ATOM 0 H VAL A 73 5.265 -11.597 -0.719 1.00 2.42 H new ATOM 0 HA VAL A 73 4.475 -9.962 1.463 1.00 55.44 H new ATOM 0 HB VAL A 73 7.008 -11.562 0.916 1.00 5.53 H new ATOM 0 HG11 VAL A 73 7.423 -11.406 3.338 1.00 44.13 H new ATOM 0 HG12 VAL A 73 7.450 -9.806 2.559 1.00 44.13 H new ATOM 0 HG13 VAL A 73 6.028 -10.313 3.502 1.00 44.13 H new ATOM 0 HG21 VAL A 73 5.992 -13.208 2.437 1.00 22.11 H new ATOM 0 HG22 VAL A 73 4.539 -12.189 2.565 1.00 22.11 H new ATOM 0 HG23 VAL A 73 4.979 -12.920 1.003 1.00 22.11 H new ATOM 1063 N VAL A 74 7.112 -9.020 -0.310 1.00 24.33 N ATOM 1064 CA VAL A 74 7.974 -7.886 -0.620 1.00 1.22 C ATOM 1065 C VAL A 74 7.165 -6.713 -1.161 1.00 52.21 C ATOM 1066 O VAL A 74 7.430 -5.557 -0.831 1.00 31.45 O ATOM 1067 CB VAL A 74 9.056 -8.267 -1.648 1.00 33.10 C ATOM 1068 CG1 VAL A 74 8.417 -8.765 -2.935 1.00 72.24 C ATOM 1069 CG2 VAL A 74 9.972 -7.084 -1.921 1.00 14.42 C ATOM 0 H VAL A 74 7.297 -9.855 -0.867 1.00 24.33 H new ATOM 0 HA VAL A 74 8.457 -7.592 0.312 1.00 1.22 H new ATOM 0 HB VAL A 74 9.659 -9.075 -1.233 1.00 33.10 H new ATOM 0 HG11 VAL A 74 9.196 -9.030 -3.650 1.00 72.24 H new ATOM 0 HG12 VAL A 74 7.807 -9.643 -2.722 1.00 72.24 H new ATOM 0 HG13 VAL A 74 7.789 -7.980 -3.357 1.00 72.24 H new ATOM 0 HG21 VAL A 74 10.730 -7.371 -2.649 1.00 14.42 H new ATOM 0 HG22 VAL A 74 9.386 -6.254 -2.315 1.00 14.42 H new ATOM 0 HG23 VAL A 74 10.457 -6.778 -0.994 1.00 14.42 H new ATOM 1079 N ALA A 75 6.176 -7.018 -1.995 1.00 11.01 N ATOM 1080 CA ALA A 75 5.326 -5.989 -2.581 1.00 35.15 C ATOM 1081 C ALA A 75 4.594 -5.201 -1.500 1.00 11.25 C ATOM 1082 O ALA A 75 4.507 -3.974 -1.564 1.00 21.42 O ATOM 1083 CB ALA A 75 4.329 -6.614 -3.546 1.00 24.20 C ATOM 0 H ALA A 75 5.944 -7.969 -2.280 1.00 11.01 H new ATOM 0 HA ALA A 75 5.963 -5.297 -3.131 1.00 35.15 H new ATOM 0 HB1 ALA A 75 3.701 -5.834 -3.976 1.00 24.20 H new ATOM 0 HB2 ALA A 75 4.867 -7.127 -4.343 1.00 24.20 H new ATOM 0 HB3 ALA A 75 3.704 -7.329 -3.011 1.00 24.20 H new ATOM 1089 N ARG A 76 4.069 -5.913 -0.508 1.00 13.43 N ATOM 1090 CA ARG A 76 3.343 -5.279 0.586 1.00 14.13 C ATOM 1091 C ARG A 76 4.308 -4.676 1.603 1.00 62.43 C ATOM 1092 O ARG A 76 3.977 -3.713 2.294 1.00 50.40 O ATOM 1093 CB ARG A 76 2.428 -6.294 1.275 1.00 41.50 C ATOM 1094 CG ARG A 76 1.039 -6.374 0.664 1.00 34.11 C ATOM 1095 CD ARG A 76 1.102 -6.634 -0.833 1.00 5.51 C ATOM 1096 NE ARG A 76 -0.227 -6.754 -1.425 1.00 32.43 N ATOM 1097 CZ ARG A 76 -1.059 -5.730 -1.580 1.00 5.03 C ATOM 1098 NH1 ARG A 76 -0.699 -4.515 -1.189 1.00 62.11 N ATOM 1099 NH2 ARG A 76 -2.252 -5.920 -2.127 1.00 13.31 N ATOM 0 H ARG A 76 4.133 -6.929 -0.439 1.00 13.43 H new ATOM 0 HA ARG A 76 2.735 -4.477 0.168 1.00 14.13 H new ATOM 0 HB2 ARG A 76 2.893 -7.279 1.230 1.00 41.50 H new ATOM 0 HB3 ARG A 76 2.338 -6.032 2.329 1.00 41.50 H new ATOM 0 HG2 ARG A 76 0.473 -7.169 1.149 1.00 34.11 H new ATOM 0 HG3 ARG A 76 0.504 -5.443 0.850 1.00 34.11 H new ATOM 0 HD2 ARG A 76 1.643 -5.822 -1.319 1.00 5.51 H new ATOM 0 HD3 ARG A 76 1.665 -7.549 -1.018 1.00 5.51 H new ATOM 0 HE ARG A 76 -0.534 -7.675 -1.737 1.00 32.43 H new ATOM 0 HH11 ARG A 76 0.218 -4.365 -0.768 1.00 62.11 H new ATOM 0 HH12 ARG A 76 -1.339 -3.730 -1.309 1.00 62.11 H new ATOM 0 HH21 ARG A 76 -2.532 -6.853 -2.429 1.00 13.31 H new ATOM 0 HH22 ARG A 76 -2.890 -5.133 -2.245 1.00 13.31 H new ATOM 1113 N HIS A 77 5.504 -5.251 1.688 1.00 32.24 N ATOM 1114 CA HIS A 77 6.518 -4.771 2.620 1.00 31.03 C ATOM 1115 C HIS A 77 7.179 -3.500 2.096 1.00 10.22 C ATOM 1116 O HIS A 77 7.656 -2.671 2.871 1.00 12.24 O ATOM 1117 CB HIS A 77 7.575 -5.850 2.856 1.00 5.34 C ATOM 1118 CG HIS A 77 8.727 -5.386 3.695 1.00 73.41 C ATOM 1119 ND1 HIS A 77 8.583 -4.517 4.756 1.00 64.31 N ATOM 1120 CD2 HIS A 77 10.047 -5.678 3.625 1.00 53.31 C ATOM 1121 CE1 HIS A 77 9.766 -4.293 5.301 1.00 54.30 C ATOM 1122 NE2 HIS A 77 10.671 -4.986 4.634 1.00 54.55 N ATOM 0 H HIS A 77 5.794 -6.049 1.123 1.00 32.24 H new ATOM 0 HA HIS A 77 6.028 -4.541 3.566 1.00 31.03 H new ATOM 0 HB2 HIS A 77 7.106 -6.707 3.339 1.00 5.34 H new ATOM 0 HB3 HIS A 77 7.953 -6.194 1.893 1.00 5.34 H new ATOM 0 HD1 HIS A 77 7.702 -4.111 5.071 1.00 64.31 H new ATOM 0 HD2 HIS A 77 10.521 -6.333 2.909 1.00 53.31 H new ATOM 0 HE1 HIS A 77 9.960 -3.652 6.148 1.00 54.30 H new ATOM 1130 N VAL A 78 7.205 -3.353 0.775 1.00 34.13 N ATOM 1131 CA VAL A 78 7.807 -2.183 0.147 1.00 32.15 C ATOM 1132 C VAL A 78 7.257 -0.894 0.747 1.00 41.30 C ATOM 1133 O VAL A 78 6.142 -0.477 0.433 1.00 32.42 O ATOM 1134 CB VAL A 78 7.563 -2.174 -1.373 1.00 72.13 C ATOM 1135 CG1 VAL A 78 7.801 -0.785 -1.944 1.00 43.43 C ATOM 1136 CG2 VAL A 78 8.449 -3.201 -2.061 1.00 25.42 C ATOM 0 H VAL A 78 6.816 -4.030 0.119 1.00 34.13 H new ATOM 0 HA VAL A 78 8.879 -2.239 0.335 1.00 32.15 H new ATOM 0 HB VAL A 78 6.523 -2.443 -1.558 1.00 72.13 H new ATOM 0 HG11 VAL A 78 7.624 -0.798 -3.019 1.00 43.43 H new ATOM 0 HG12 VAL A 78 7.120 -0.076 -1.473 1.00 43.43 H new ATOM 0 HG13 VAL A 78 8.830 -0.483 -1.750 1.00 43.43 H new ATOM 0 HG21 VAL A 78 8.263 -3.181 -3.135 1.00 25.42 H new ATOM 0 HG22 VAL A 78 9.496 -2.965 -1.869 1.00 25.42 H new ATOM 0 HG23 VAL A 78 8.224 -4.194 -1.673 1.00 25.42 H new ATOM 1146 N ARG A 79 8.048 -0.265 1.611 1.00 35.30 N ATOM 1147 CA ARG A 79 7.640 0.977 2.256 1.00 52.25 C ATOM 1148 C ARG A 79 8.856 1.807 2.655 1.00 23.14 C ATOM 1149 O ARG A 79 9.954 1.287 2.858 1.00 71.04 O ATOM 1150 CB ARG A 79 6.784 0.680 3.488 1.00 1.23 C ATOM 1151 CG ARG A 79 5.325 1.076 3.327 1.00 64.21 C ATOM 1152 CD ARG A 79 4.773 1.699 4.599 1.00 21.03 C ATOM 1153 NE ARG A 79 4.992 0.847 5.765 1.00 13.34 N ATOM 1154 CZ ARG A 79 4.493 1.107 6.969 1.00 71.01 C ATOM 1155 NH1 ARG A 79 3.751 2.188 7.163 1.00 14.24 N ATOM 1156 NH2 ARG A 79 4.736 0.284 7.981 1.00 70.21 N ATOM 0 H ARG A 79 8.975 -0.595 1.880 1.00 35.30 H new ATOM 0 HA ARG A 79 7.049 1.551 1.542 1.00 52.25 H new ATOM 0 HB2 ARG A 79 6.840 -0.386 3.710 1.00 1.23 H new ATOM 0 HB3 ARG A 79 7.202 1.207 4.346 1.00 1.23 H new ATOM 0 HG2 ARG A 79 5.228 1.782 2.503 1.00 64.21 H new ATOM 0 HG3 ARG A 79 4.735 0.197 3.065 1.00 64.21 H new ATOM 0 HD2 ARG A 79 5.246 2.667 4.763 1.00 21.03 H new ATOM 0 HD3 ARG A 79 3.705 1.882 4.479 1.00 21.03 H new ATOM 0 HE ARG A 79 5.559 0.007 5.649 1.00 13.34 H new ATOM 0 HH11 ARG A 79 3.562 2.823 6.387 1.00 14.24 H new ATOM 0 HH12 ARG A 79 3.369 2.385 8.088 1.00 14.24 H new ATOM 0 HH21 ARG A 79 5.306 -0.549 7.835 1.00 70.21 H new ATOM 0 HH22 ARG A 79 4.353 0.484 8.905 1.00 70.21 H new ATOM 1170 N PRO A 80 8.659 3.129 2.772 1.00 22.50 N ATOM 1171 CA PRO A 80 9.728 4.058 3.148 1.00 3.24 C ATOM 1172 C PRO A 80 10.153 3.894 4.604 1.00 44.24 C ATOM 1173 O PRO A 80 9.342 4.042 5.518 1.00 44.14 O ATOM 1174 CB PRO A 80 9.095 5.434 2.928 1.00 4.51 C ATOM 1175 CG PRO A 80 7.630 5.204 3.068 1.00 41.42 C ATOM 1176 CD PRO A 80 7.377 3.817 2.546 1.00 62.00 C ATOM 0 HA PRO A 80 10.635 3.893 2.567 1.00 3.24 H new ATOM 0 HB2 PRO A 80 9.454 6.157 3.661 1.00 4.51 H new ATOM 0 HB3 PRO A 80 9.341 5.830 1.943 1.00 4.51 H new ATOM 0 HG2 PRO A 80 7.319 5.292 4.109 1.00 41.42 H new ATOM 0 HG3 PRO A 80 7.063 5.943 2.502 1.00 41.42 H new ATOM 0 HD2 PRO A 80 6.560 3.330 3.079 1.00 62.00 H new ATOM 0 HD3 PRO A 80 7.107 3.828 1.490 1.00 62.00 H new ATOM 1184 N SER A 81 11.430 3.588 4.811 1.00 1.24 N ATOM 1185 CA SER A 81 11.962 3.401 6.156 1.00 22.21 C ATOM 1186 C SER A 81 11.120 2.398 6.939 1.00 71.13 C ATOM 1187 O SER A 81 10.872 2.576 8.131 1.00 73.12 O ATOM 1188 CB SER A 81 12.007 4.737 6.900 1.00 23.33 C ATOM 1189 OG SER A 81 10.737 5.065 7.437 1.00 64.31 O ATOM 0 H SER A 81 12.115 3.464 4.065 1.00 1.24 H new ATOM 0 HA SER A 81 12.975 3.008 6.068 1.00 22.21 H new ATOM 0 HB2 SER A 81 12.742 4.685 7.703 1.00 23.33 H new ATOM 0 HB3 SER A 81 12.332 5.525 6.220 1.00 23.33 H new ATOM 0 HG SER A 81 10.034 4.667 6.881 1.00 64.31 H new ATOM 1195 N ALA A 82 10.683 1.343 6.258 1.00 2.23 N ATOM 1196 CA ALA A 82 9.871 0.310 6.889 1.00 54.42 C ATOM 1197 C ALA A 82 10.711 -0.914 7.235 1.00 31.03 C ATOM 1198 O ALA A 82 11.123 -1.666 6.352 1.00 3.22 O ATOM 1199 CB ALA A 82 8.715 -0.080 5.979 1.00 31.45 C ATOM 0 H ALA A 82 10.878 1.182 5.270 1.00 2.23 H new ATOM 0 HA ALA A 82 9.468 0.715 7.817 1.00 54.42 H new ATOM 0 HB1 ALA A 82 8.116 -0.852 6.462 1.00 31.45 H new ATOM 0 HB2 ALA A 82 8.093 0.794 5.786 1.00 31.45 H new ATOM 0 HB3 ALA A 82 9.107 -0.461 5.036 1.00 31.45 H new ATOM 1205 N SER A 83 10.962 -1.108 8.526 1.00 13.12 N ATOM 1206 CA SER A 83 11.757 -2.239 8.989 1.00 62.02 C ATOM 1207 C SER A 83 10.915 -3.183 9.842 1.00 0.41 C ATOM 1208 O SER A 83 10.140 -2.743 10.692 1.00 20.11 O ATOM 1209 CB SER A 83 12.963 -1.747 9.791 1.00 24.22 C ATOM 1210 OG SER A 83 13.270 -0.400 9.477 1.00 12.31 O ATOM 0 H SER A 83 10.626 -0.496 9.270 1.00 13.12 H new ATOM 0 HA SER A 83 12.110 -2.786 8.114 1.00 62.02 H new ATOM 0 HB2 SER A 83 12.755 -1.837 10.857 1.00 24.22 H new ATOM 0 HB3 SER A 83 13.826 -2.379 9.580 1.00 24.22 H new ATOM 0 HG SER A 83 13.652 0.041 10.265 1.00 12.31 H new ATOM 1216 N ILE A 84 11.073 -4.481 9.609 1.00 61.02 N ATOM 1217 CA ILE A 84 10.329 -5.487 10.356 1.00 72.10 C ATOM 1218 C ILE A 84 11.110 -6.793 10.448 1.00 24.23 C ATOM 1219 O ILE A 84 11.963 -7.096 9.613 1.00 12.11 O ATOM 1220 CB ILE A 84 8.958 -5.767 9.712 1.00 10.21 C ATOM 1221 CG1 ILE A 84 9.109 -5.956 8.201 1.00 31.43 C ATOM 1222 CG2 ILE A 84 7.989 -4.633 10.015 1.00 64.31 C ATOM 1223 CD1 ILE A 84 7.806 -6.269 7.498 1.00 3.54 C ATOM 0 H ILE A 84 11.710 -4.861 8.909 1.00 61.02 H new ATOM 0 HA ILE A 84 10.176 -5.086 11.358 1.00 72.10 H new ATOM 0 HB ILE A 84 8.555 -6.687 10.136 1.00 10.21 H new ATOM 0 HG12 ILE A 84 9.536 -5.050 7.771 1.00 31.43 H new ATOM 0 HG13 ILE A 84 9.817 -6.763 8.013 1.00 31.43 H new ATOM 0 HG21 ILE A 84 7.025 -4.845 9.553 1.00 64.31 H new ATOM 0 HG22 ILE A 84 7.862 -4.541 11.094 1.00 64.31 H new ATOM 0 HG23 ILE A 84 8.385 -3.699 9.615 1.00 64.31 H new ATOM 0 HD11 ILE A 84 7.989 -6.390 6.430 1.00 3.54 H new ATOM 0 HD12 ILE A 84 7.387 -7.191 7.901 1.00 3.54 H new ATOM 0 HD13 ILE A 84 7.102 -5.452 7.655 1.00 3.54 H new ATOM 1235 N PRO A 85 10.814 -7.588 11.487 1.00 34.21 N ATOM 1236 CA PRO A 85 11.476 -8.877 11.712 1.00 14.55 C ATOM 1237 C PRO A 85 11.080 -9.921 10.674 1.00 1.12 C ATOM 1238 O PRO A 85 9.963 -9.904 10.156 1.00 5.00 O ATOM 1239 CB PRO A 85 10.983 -9.290 13.102 1.00 62.25 C ATOM 1240 CG PRO A 85 9.677 -8.592 13.264 1.00 5.41 C ATOM 1241 CD PRO A 85 9.809 -7.291 12.521 1.00 15.34 C ATOM 0 HA PRO A 85 12.560 -8.798 11.635 1.00 14.55 H new ATOM 0 HB2 PRO A 85 10.866 -10.371 13.175 1.00 62.25 H new ATOM 0 HB3 PRO A 85 11.689 -8.993 13.877 1.00 62.25 H new ATOM 0 HG2 PRO A 85 8.861 -9.191 12.860 1.00 5.41 H new ATOM 0 HG3 PRO A 85 9.454 -8.419 14.317 1.00 5.41 H new ATOM 0 HD2 PRO A 85 8.861 -6.981 12.082 1.00 15.34 H new ATOM 0 HD3 PRO A 85 10.135 -6.485 13.178 1.00 15.34 H new ATOM 1249 N VAL A 86 12.003 -10.830 10.375 1.00 54.03 N ATOM 1250 CA VAL A 86 11.749 -11.884 9.399 1.00 3.52 C ATOM 1251 C VAL A 86 12.370 -13.204 9.842 1.00 13.34 C ATOM 1252 O VAL A 86 13.399 -13.223 10.518 1.00 52.31 O ATOM 1253 CB VAL A 86 12.303 -11.509 8.012 1.00 43.32 C ATOM 1254 CG1 VAL A 86 13.824 -11.520 8.023 1.00 3.43 C ATOM 1255 CG2 VAL A 86 11.763 -12.454 6.950 1.00 62.44 C ATOM 0 H VAL A 86 12.933 -10.858 10.794 1.00 54.03 H new ATOM 0 HA VAL A 86 10.667 -11.999 9.331 1.00 3.52 H new ATOM 0 HB VAL A 86 11.973 -10.499 7.769 1.00 43.32 H new ATOM 0 HG11 VAL A 86 14.197 -11.253 7.034 1.00 3.43 H new ATOM 0 HG12 VAL A 86 14.188 -10.799 8.755 1.00 3.43 H new ATOM 0 HG13 VAL A 86 14.179 -12.516 8.287 1.00 3.43 H new ATOM 0 HG21 VAL A 86 12.165 -12.174 5.976 1.00 62.44 H new ATOM 0 HG22 VAL A 86 12.062 -13.475 7.186 1.00 62.44 H new ATOM 0 HG23 VAL A 86 10.675 -12.390 6.926 1.00 62.44 H new ATOM 1265 N VAL A 87 11.737 -14.307 9.457 1.00 31.53 N ATOM 1266 CA VAL A 87 12.227 -15.634 9.813 1.00 4.54 C ATOM 1267 C VAL A 87 13.063 -16.231 8.687 1.00 31.20 C ATOM 1268 O VAL A 87 12.544 -16.552 7.618 1.00 60.24 O ATOM 1269 CB VAL A 87 11.067 -16.592 10.141 1.00 11.21 C ATOM 1270 CG1 VAL A 87 10.018 -16.557 9.040 1.00 63.01 C ATOM 1271 CG2 VAL A 87 11.587 -18.006 10.349 1.00 60.20 C ATOM 0 H VAL A 87 10.884 -14.309 8.898 1.00 31.53 H new ATOM 0 HA VAL A 87 12.850 -15.514 10.699 1.00 4.54 H new ATOM 0 HB VAL A 87 10.597 -16.262 11.068 1.00 11.21 H new ATOM 0 HG11 VAL A 87 9.206 -17.240 9.289 1.00 63.01 H new ATOM 0 HG12 VAL A 87 9.624 -15.545 8.945 1.00 63.01 H new ATOM 0 HG13 VAL A 87 10.471 -16.861 8.096 1.00 63.01 H new ATOM 0 HG21 VAL A 87 10.754 -18.670 10.580 1.00 60.20 H new ATOM 0 HG22 VAL A 87 12.083 -18.349 9.441 1.00 60.20 H new ATOM 0 HG23 VAL A 87 12.297 -18.014 11.176 1.00 60.20 H new ATOM 1281 N PHE A 88 14.360 -16.379 8.934 1.00 3.32 N ATOM 1282 CA PHE A 88 15.269 -16.938 7.940 1.00 2.14 C ATOM 1283 C PHE A 88 15.918 -18.219 8.457 1.00 50.15 C ATOM 1284 O PHE A 88 15.991 -18.448 9.664 1.00 53.22 O ATOM 1285 CB PHE A 88 16.349 -15.917 7.575 1.00 61.54 C ATOM 1286 CG PHE A 88 17.370 -15.711 8.657 1.00 51.12 C ATOM 1287 CD1 PHE A 88 17.172 -14.757 9.641 1.00 14.44 C ATOM 1288 CD2 PHE A 88 18.528 -16.471 8.689 1.00 1.20 C ATOM 1289 CE1 PHE A 88 18.109 -14.564 10.639 1.00 32.10 C ATOM 1290 CE2 PHE A 88 19.469 -16.283 9.684 1.00 35.23 C ATOM 1291 CZ PHE A 88 19.259 -15.328 10.660 1.00 43.13 C ATOM 0 H PHE A 88 14.806 -16.120 9.814 1.00 3.32 H new ATOM 0 HA PHE A 88 14.690 -17.179 7.048 1.00 2.14 H new ATOM 0 HB2 PHE A 88 16.855 -16.244 6.667 1.00 61.54 H new ATOM 0 HB3 PHE A 88 15.874 -14.963 7.349 1.00 61.54 H new ATOM 0 HD1 PHE A 88 16.275 -14.156 9.629 1.00 14.44 H new ATOM 0 HD2 PHE A 88 18.697 -17.219 7.928 1.00 1.20 H new ATOM 0 HE1 PHE A 88 17.942 -13.817 11.401 1.00 32.10 H new ATOM 0 HE2 PHE A 88 20.367 -16.882 9.698 1.00 35.23 H new ATOM 0 HZ PHE A 88 19.993 -15.179 11.438 1.00 43.13 H new ATOM 1301 N SER A 89 16.388 -19.051 7.533 1.00 75.15 N ATOM 1302 CA SER A 89 17.026 -20.311 7.893 1.00 64.52 C ATOM 1303 C SER A 89 18.314 -20.514 7.099 1.00 34.32 C ATOM 1304 O SER A 89 18.382 -20.191 5.913 1.00 30.22 O ATOM 1305 CB SER A 89 16.072 -21.481 7.645 1.00 55.20 C ATOM 1306 OG SER A 89 15.568 -21.996 8.865 1.00 0.55 O ATOM 0 H SER A 89 16.339 -18.875 6.530 1.00 75.15 H new ATOM 0 HA SER A 89 17.274 -20.273 8.954 1.00 64.52 H new ATOM 0 HB2 SER A 89 15.245 -21.153 7.016 1.00 55.20 H new ATOM 0 HB3 SER A 89 16.592 -22.269 7.101 1.00 55.20 H new ATOM 0 HG SER A 89 16.307 -22.356 9.398 1.00 0.55 H new ATOM 1312 N ARG A 90 19.332 -21.052 7.763 1.00 50.41 N ATOM 1313 CA ARG A 90 20.618 -21.297 7.121 1.00 11.12 C ATOM 1314 C ARG A 90 20.976 -22.779 7.171 1.00 24.20 C ATOM 1315 O ARG A 90 21.615 -23.242 8.117 1.00 74.35 O ATOM 1316 CB ARG A 90 21.715 -20.473 7.798 1.00 51.23 C ATOM 1317 CG ARG A 90 22.082 -19.208 7.039 1.00 11.10 C ATOM 1318 CD ARG A 90 23.527 -18.806 7.292 1.00 74.13 C ATOM 1319 NE ARG A 90 23.702 -18.190 8.604 1.00 53.50 N ATOM 1320 CZ ARG A 90 23.383 -16.928 8.872 1.00 72.13 C ATOM 1321 NH1 ARG A 90 22.875 -16.154 7.923 1.00 13.41 N ATOM 1322 NH2 ARG A 90 23.572 -16.439 10.091 1.00 74.23 N ATOM 0 H ARG A 90 19.291 -21.326 8.745 1.00 50.41 H new ATOM 0 HA ARG A 90 20.538 -20.995 6.077 1.00 11.12 H new ATOM 0 HB2 ARG A 90 21.387 -20.202 8.802 1.00 51.23 H new ATOM 0 HB3 ARG A 90 22.606 -21.091 7.909 1.00 51.23 H new ATOM 0 HG2 ARG A 90 21.929 -19.365 5.971 1.00 11.10 H new ATOM 0 HG3 ARG A 90 21.419 -18.397 7.340 1.00 11.10 H new ATOM 0 HD2 ARG A 90 24.166 -19.685 7.216 1.00 74.13 H new ATOM 0 HD3 ARG A 90 23.850 -18.109 6.518 1.00 74.13 H new ATOM 0 HE ARG A 90 24.090 -18.759 9.356 1.00 53.50 H new ATOM 0 HH11 ARG A 90 22.728 -16.527 6.985 1.00 13.41 H new ATOM 0 HH12 ARG A 90 22.631 -15.186 8.131 1.00 13.41 H new ATOM 0 HH21 ARG A 90 23.962 -17.032 10.823 1.00 74.23 H new ATOM 0 HH22 ARG A 90 23.327 -15.470 10.296 1.00 74.23 H new ATOM 1336 N ASP A 91 20.561 -23.518 6.148 1.00 43.43 N ATOM 1337 CA ASP A 91 20.839 -24.947 6.074 1.00 32.32 C ATOM 1338 C ASP A 91 20.183 -25.689 7.235 1.00 3.42 C ATOM 1339 O ASP A 91 20.759 -26.622 7.793 1.00 12.44 O ATOM 1340 CB ASP A 91 22.348 -25.197 6.081 1.00 52.42 C ATOM 1341 CG ASP A 91 23.117 -24.112 5.352 1.00 71.43 C ATOM 1342 OD1 ASP A 91 22.682 -23.714 4.251 1.00 52.12 O ATOM 1343 OD2 ASP A 91 24.153 -23.662 5.882 1.00 3.35 O ATOM 0 H ASP A 91 20.031 -23.150 5.358 1.00 43.43 H new ATOM 0 HA ASP A 91 20.421 -25.325 5.141 1.00 32.32 H new ATOM 0 HB2 ASP A 91 22.699 -25.257 7.111 1.00 52.42 H new ATOM 0 HB3 ASP A 91 22.556 -26.161 5.616 1.00 52.42 H new ATOM 1348 N GLY A 92 18.975 -25.265 7.594 1.00 20.34 N ATOM 1349 CA GLY A 92 18.262 -25.899 8.688 1.00 73.02 C ATOM 1350 C GLY A 92 18.339 -25.098 9.972 1.00 13.41 C ATOM 1351 O GLY A 92 17.572 -25.333 10.906 1.00 24.15 O ATOM 0 H GLY A 92 18.478 -24.495 7.147 1.00 20.34 H new ATOM 0 HA2 GLY A 92 17.217 -26.031 8.408 1.00 73.02 H new ATOM 0 HA3 GLY A 92 18.675 -26.893 8.859 1.00 73.02 H new ATOM 1355 N VAL A 93 19.268 -24.148 10.021 1.00 54.04 N ATOM 1356 CA VAL A 93 19.443 -23.309 11.200 1.00 34.22 C ATOM 1357 C VAL A 93 18.233 -22.407 11.417 1.00 2.22 C ATOM 1358 O VAL A 93 17.607 -21.949 10.461 1.00 34.43 O ATOM 1359 CB VAL A 93 20.707 -22.436 11.086 1.00 74.42 C ATOM 1360 CG1 VAL A 93 20.814 -21.493 12.274 1.00 14.11 C ATOM 1361 CG2 VAL A 93 21.948 -23.309 10.974 1.00 53.01 C ATOM 0 H VAL A 93 19.911 -23.941 9.257 1.00 54.04 H new ATOM 0 HA VAL A 93 19.550 -23.980 12.052 1.00 34.22 H new ATOM 0 HB VAL A 93 20.631 -21.833 10.181 1.00 74.42 H new ATOM 0 HG11 VAL A 93 21.713 -20.885 12.176 1.00 14.11 H new ATOM 0 HG12 VAL A 93 19.938 -20.845 12.304 1.00 14.11 H new ATOM 0 HG13 VAL A 93 20.867 -22.073 13.195 1.00 14.11 H new ATOM 0 HG21 VAL A 93 22.832 -22.676 10.894 1.00 53.01 H new ATOM 0 HG22 VAL A 93 22.031 -23.939 11.860 1.00 53.01 H new ATOM 0 HG23 VAL A 93 21.871 -23.938 10.087 1.00 53.01 H new ATOM 1371 N VAL A 94 17.910 -22.154 12.682 1.00 51.45 N ATOM 1372 CA VAL A 94 16.776 -21.304 13.025 1.00 11.02 C ATOM 1373 C VAL A 94 17.238 -20.019 13.703 1.00 14.12 C ATOM 1374 O VAL A 94 17.754 -20.045 14.820 1.00 71.41 O ATOM 1375 CB VAL A 94 15.788 -22.035 13.954 1.00 40.03 C ATOM 1376 CG1 VAL A 94 14.627 -21.124 14.321 1.00 12.05 C ATOM 1377 CG2 VAL A 94 15.287 -23.313 13.298 1.00 51.33 C ATOM 0 H VAL A 94 18.417 -22.525 13.485 1.00 51.45 H new ATOM 0 HA VAL A 94 16.271 -21.057 12.091 1.00 11.02 H new ATOM 0 HB VAL A 94 16.311 -22.305 14.872 1.00 40.03 H new ATOM 0 HG11 VAL A 94 13.939 -21.657 14.978 1.00 12.05 H new ATOM 0 HG12 VAL A 94 15.006 -20.240 14.834 1.00 12.05 H new ATOM 0 HG13 VAL A 94 14.102 -20.821 13.415 1.00 12.05 H new ATOM 0 HG21 VAL A 94 14.590 -23.817 13.968 1.00 51.33 H new ATOM 0 HG22 VAL A 94 14.780 -23.068 12.364 1.00 51.33 H new ATOM 0 HG23 VAL A 94 16.131 -23.971 13.091 1.00 51.33 H new ATOM 1387 N MET A 95 17.047 -18.895 13.020 1.00 5.21 N ATOM 1388 CA MET A 95 17.443 -17.598 13.558 1.00 61.23 C ATOM 1389 C MET A 95 16.619 -16.477 12.934 1.00 14.41 C ATOM 1390 O MET A 95 16.246 -16.545 11.763 1.00 43.32 O ATOM 1391 CB MET A 95 18.932 -17.352 13.308 1.00 3.43 C ATOM 1392 CG MET A 95 19.423 -16.012 13.834 1.00 72.24 C ATOM 1393 SD MET A 95 19.419 -15.929 15.635 1.00 52.12 S ATOM 1394 CE MET A 95 21.160 -16.153 15.988 1.00 64.11 C ATOM 0 H MET A 95 16.621 -18.856 12.094 1.00 5.21 H new ATOM 0 HA MET A 95 17.259 -17.606 14.632 1.00 61.23 H new ATOM 0 HB2 MET A 95 19.508 -18.150 13.777 1.00 3.43 H new ATOM 0 HB3 MET A 95 19.126 -17.406 12.237 1.00 3.43 H new ATOM 0 HG2 MET A 95 20.434 -15.831 13.468 1.00 72.24 H new ATOM 0 HG3 MET A 95 18.793 -15.217 13.436 1.00 72.24 H new ATOM 0 HE1 MET A 95 21.319 -16.126 17.066 1.00 64.11 H new ATOM 0 HE2 MET A 95 21.490 -17.116 15.597 1.00 64.11 H new ATOM 0 HE3 MET A 95 21.733 -15.354 15.516 1.00 64.11 H new ATOM 1404 N SER A 96 16.337 -15.446 13.724 1.00 14.33 N ATOM 1405 CA SER A 96 15.552 -14.311 13.250 1.00 24.33 C ATOM 1406 C SER A 96 16.376 -13.027 13.290 1.00 73.44 C ATOM 1407 O SER A 96 17.100 -12.771 14.251 1.00 51.21 O ATOM 1408 CB SER A 96 14.290 -14.147 14.098 1.00 33.14 C ATOM 1409 OG SER A 96 14.614 -13.795 15.432 1.00 34.23 O ATOM 0 H SER A 96 16.640 -15.373 14.695 1.00 14.33 H new ATOM 0 HA SER A 96 15.264 -14.506 12.217 1.00 24.33 H new ATOM 0 HB2 SER A 96 13.652 -13.379 13.661 1.00 33.14 H new ATOM 0 HB3 SER A 96 13.721 -15.076 14.092 1.00 33.14 H new ATOM 0 HG SER A 96 13.790 -13.694 15.953 1.00 34.23 H new ATOM 1415 N ALA A 97 16.258 -12.224 12.237 1.00 25.42 N ATOM 1416 CA ALA A 97 16.989 -10.966 12.151 1.00 24.31 C ATOM 1417 C ALA A 97 16.131 -9.874 11.522 1.00 73.40 C ATOM 1418 O ALA A 97 15.389 -10.123 10.571 1.00 61.42 O ATOM 1419 CB ALA A 97 18.273 -11.155 11.356 1.00 11.11 C ATOM 0 H ALA A 97 15.663 -12.423 11.432 1.00 25.42 H new ATOM 0 HA ALA A 97 17.244 -10.653 13.163 1.00 24.31 H new ATOM 0 HB1 ALA A 97 18.809 -10.208 11.300 1.00 11.11 H new ATOM 0 HB2 ALA A 97 18.900 -11.898 11.849 1.00 11.11 H new ATOM 0 HB3 ALA A 97 18.031 -11.495 10.349 1.00 11.11 H new ATOM 1425 N THR A 98 16.235 -8.663 12.059 1.00 12.32 N ATOM 1426 CA THR A 98 15.467 -7.533 11.552 1.00 75.13 C ATOM 1427 C THR A 98 16.162 -6.886 10.360 1.00 45.12 C ATOM 1428 O THR A 98 17.350 -6.567 10.421 1.00 64.42 O ATOM 1429 CB THR A 98 15.245 -6.468 12.643 1.00 64.52 C ATOM 1430 OG1 THR A 98 14.998 -7.102 13.903 1.00 64.42 O ATOM 1431 CG2 THR A 98 14.076 -5.564 12.287 1.00 55.43 C ATOM 0 H THR A 98 16.844 -8.439 12.846 1.00 12.32 H new ATOM 0 HA THR A 98 14.500 -7.925 11.236 1.00 75.13 H new ATOM 0 HB THR A 98 16.146 -5.859 12.714 1.00 64.52 H new ATOM 0 HG1 THR A 98 14.860 -6.419 14.592 1.00 64.42 H new ATOM 0 HG21 THR A 98 13.939 -4.820 13.072 1.00 55.43 H new ATOM 0 HG22 THR A 98 14.280 -5.061 11.342 1.00 55.43 H new ATOM 0 HG23 THR A 98 13.170 -6.162 12.191 1.00 55.43 H new ATOM 1439 N ILE A 99 15.416 -6.694 9.278 1.00 50.44 N ATOM 1440 CA ILE A 99 15.962 -6.082 8.072 1.00 30.23 C ATOM 1441 C ILE A 99 15.296 -4.741 7.786 1.00 10.43 C ATOM 1442 O ILE A 99 14.071 -4.648 7.708 1.00 51.52 O ATOM 1443 CB ILE A 99 15.789 -7.000 6.848 1.00 40.14 C ATOM 1444 CG1 ILE A 99 16.677 -8.239 6.982 1.00 35.02 C ATOM 1445 CG2 ILE A 99 16.116 -6.244 5.569 1.00 42.33 C ATOM 1446 CD1 ILE A 99 16.095 -9.304 7.886 1.00 51.42 C ATOM 0 H ILE A 99 14.432 -6.953 9.211 1.00 50.44 H new ATOM 0 HA ILE A 99 17.026 -5.925 8.251 1.00 30.23 H new ATOM 0 HB ILE A 99 14.750 -7.325 6.800 1.00 40.14 H new ATOM 0 HG12 ILE A 99 16.844 -8.665 5.993 1.00 35.02 H new ATOM 0 HG13 ILE A 99 17.651 -7.938 7.368 1.00 35.02 H new ATOM 0 HG21 ILE A 99 15.989 -6.906 4.712 1.00 42.33 H new ATOM 0 HG22 ILE A 99 15.446 -5.390 5.470 1.00 42.33 H new ATOM 0 HG23 ILE A 99 17.147 -5.894 5.607 1.00 42.33 H new ATOM 0 HD11 ILE A 99 16.777 -10.153 7.934 1.00 51.42 H new ATOM 0 HD12 ILE A 99 15.954 -8.895 8.886 1.00 51.42 H new ATOM 0 HD13 ILE A 99 15.134 -9.633 7.489 1.00 51.42 H new ATOM 1458 N VAL A 100 16.112 -3.703 7.629 1.00 15.34 N ATOM 1459 CA VAL A 100 15.602 -2.366 7.349 1.00 41.33 C ATOM 1460 C VAL A 100 15.602 -2.081 5.851 1.00 2.21 C ATOM 1461 O VAL A 100 16.656 -2.040 5.216 1.00 71.42 O ATOM 1462 CB VAL A 100 16.434 -1.286 8.066 1.00 65.04 C ATOM 1463 CG1 VAL A 100 16.211 -1.350 9.569 1.00 62.02 C ATOM 1464 CG2 VAL A 100 17.910 -1.442 7.730 1.00 1.53 C ATOM 0 H VAL A 100 17.128 -3.762 7.691 1.00 15.34 H new ATOM 0 HA VAL A 100 14.579 -2.333 7.723 1.00 41.33 H new ATOM 0 HB VAL A 100 16.106 -0.307 7.716 1.00 65.04 H new ATOM 0 HG11 VAL A 100 16.807 -0.580 10.058 1.00 62.02 H new ATOM 0 HG12 VAL A 100 15.156 -1.186 9.788 1.00 62.02 H new ATOM 0 HG13 VAL A 100 16.510 -2.330 9.940 1.00 62.02 H new ATOM 0 HG21 VAL A 100 18.484 -0.671 8.245 1.00 1.53 H new ATOM 0 HG22 VAL A 100 18.254 -2.425 8.051 1.00 1.53 H new ATOM 0 HG23 VAL A 100 18.051 -1.341 6.654 1.00 1.53 H new ATOM 1474 N VAL A 101 14.413 -1.883 5.292 1.00 74.12 N ATOM 1475 CA VAL A 101 14.275 -1.600 3.868 1.00 13.12 C ATOM 1476 C VAL A 101 14.057 -0.111 3.623 1.00 74.25 C ATOM 1477 O VAL A 101 13.259 0.531 4.304 1.00 30.15 O ATOM 1478 CB VAL A 101 13.105 -2.388 3.250 1.00 15.10 C ATOM 1479 CG1 VAL A 101 12.953 -2.050 1.775 1.00 43.03 C ATOM 1480 CG2 VAL A 101 13.307 -3.883 3.445 1.00 45.11 C ATOM 0 H VAL A 101 13.531 -1.913 5.803 1.00 74.12 H new ATOM 0 HA VAL A 101 15.204 -1.912 3.391 1.00 13.12 H new ATOM 0 HB VAL A 101 12.186 -2.099 3.761 1.00 15.10 H new ATOM 0 HG11 VAL A 101 12.121 -2.616 1.356 1.00 43.03 H new ATOM 0 HG12 VAL A 101 12.758 -0.983 1.664 1.00 43.03 H new ATOM 0 HG13 VAL A 101 13.871 -2.308 1.246 1.00 43.03 H new ATOM 0 HG21 VAL A 101 12.471 -4.424 3.002 1.00 45.11 H new ATOM 0 HG22 VAL A 101 14.235 -4.191 2.962 1.00 45.11 H new ATOM 0 HG23 VAL A 101 13.361 -4.107 4.510 1.00 45.11 H new ATOM 1490 N GLY A 102 14.772 0.432 2.642 1.00 14.41 N ATOM 1491 CA GLY A 102 14.642 1.842 2.323 1.00 52.10 C ATOM 1492 C GLY A 102 14.317 2.078 0.861 1.00 13.24 C ATOM 1493 O GLY A 102 15.153 1.849 -0.011 1.00 44.43 O ATOM 0 H GLY A 102 15.438 -0.079 2.063 1.00 14.41 H new ATOM 0 HA2 GLY A 102 13.859 2.281 2.942 1.00 52.10 H new ATOM 0 HA3 GLY A 102 15.571 2.355 2.573 1.00 52.10 H new ATOM 1497 N GLU A 103 13.097 2.536 0.594 1.00 24.52 N ATOM 1498 CA GLU A 103 12.664 2.800 -0.773 1.00 30.32 C ATOM 1499 C GLU A 103 13.172 4.157 -1.252 1.00 31.40 C ATOM 1500 O GLU A 103 13.355 4.376 -2.450 1.00 50.02 O ATOM 1501 CB GLU A 103 11.137 2.753 -0.866 1.00 24.54 C ATOM 1502 CG GLU A 103 10.584 1.354 -1.081 1.00 13.03 C ATOM 1503 CD GLU A 103 11.271 0.315 -0.216 1.00 41.02 C ATOM 1504 OE1 GLU A 103 12.410 -0.074 -0.550 1.00 0.00 O ATOM 1505 OE2 GLU A 103 10.671 -0.109 0.793 1.00 32.21 O ATOM 0 H GLU A 103 12.393 2.731 1.305 1.00 24.52 H new ATOM 0 HA GLU A 103 13.084 2.026 -1.416 1.00 30.32 H new ATOM 0 HB2 GLU A 103 10.713 3.166 0.049 1.00 24.54 H new ATOM 0 HB3 GLU A 103 10.811 3.393 -1.686 1.00 24.54 H new ATOM 0 HG2 GLU A 103 9.516 1.353 -0.864 1.00 13.03 H new ATOM 0 HG3 GLU A 103 10.697 1.080 -2.130 1.00 13.03 H new