USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 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 83 ASN : amide:sc= 0.84 K(o=1.8,f=-3.6!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -178:sc= 0.965 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -127:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 70 SER OG : rot -72:sc= 1.36 USER MOD Set 3.1: A 22 ASN : amide:sc= 0.26 K(o=0.88,f=-11!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 179:sc= 0.623 (180deg=-0.419) USER MOD Set 4.1: A 18 THR OG1 : rot -74:sc= 1.25 USER MOD Set 4.2: A 23 SER OG : rot 72:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.0021 (180deg=-0.0855) USER MOD Single : A 3 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.48) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 6 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0089) USER MOD Single : A 7 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc=0.000885 USER MOD Single : A 10 HIS : no HD1:sc= -0.015 K(o=-0.015,f=-0.53) USER MOD Single : A 11 MET CE :methyl -171:sc= -0.0927 (180deg=-0.236) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0112 F(o=-0.94,f=-0.011) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -115:sc= -1.72 (180deg=-2.38) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -153:sc= 0.978 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.442 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.273 F(o=-2.3,f=-0.27) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 92 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 94 MET CE :methyl -124:sc= -0.33 (180deg=-0.839) USER MOD Single : A 99 SER OG : rot 72:sc= 0.292 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00246 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.768 -32.599 20.094 1.00 51.13 N ATOM 2 CA MET A 1 -10.406 -31.334 19.412 1.00 50.21 C ATOM 3 C MET A 1 -8.952 -31.398 18.925 1.00 13.30 C ATOM 4 O MET A 1 -8.100 -31.979 19.601 1.00 42.13 O ATOM 5 CB MET A 1 -10.597 -30.120 20.367 1.00 1.24 C ATOM 6 CG MET A 1 -12.020 -29.966 20.915 1.00 75.43 C ATOM 7 SD MET A 1 -13.239 -29.721 19.609 1.00 70.00 S ATOM 8 CE MET A 1 -14.758 -29.705 20.557 1.00 75.33 C ATOM 0 H1 MET A 1 -11.672 -32.949 19.719 1.00 51.13 H new ATOM 0 H2 MET A 1 -10.026 -33.308 19.927 1.00 51.13 H new ATOM 0 H3 MET A 1 -10.860 -32.428 21.116 1.00 51.13 H new ATOM 0 HA MET A 1 -11.065 -31.203 18.553 1.00 50.21 H new ATOM 0 HB2 MET A 1 -9.907 -30.219 21.205 1.00 1.24 H new ATOM 0 HB3 MET A 1 -10.324 -29.208 19.836 1.00 1.24 H new ATOM 0 HG2 MET A 1 -12.282 -30.854 21.491 1.00 75.43 H new ATOM 0 HG3 MET A 1 -12.052 -29.120 21.601 1.00 75.43 H new ATOM 0 HE1 MET A 1 -15.604 -29.561 19.885 1.00 75.33 H new ATOM 0 HE2 MET A 1 -14.869 -30.653 21.083 1.00 75.33 H new ATOM 0 HE3 MET A 1 -14.727 -28.891 21.281 1.00 75.33 H new ATOM 20 N GLY A 2 -8.684 -30.802 17.747 1.00 70.21 N ATOM 21 CA GLY A 2 -7.319 -30.652 17.224 1.00 10.01 C ATOM 22 C GLY A 2 -6.778 -29.251 17.478 1.00 24.25 C ATOM 23 O GLY A 2 -7.476 -28.413 18.076 1.00 22.33 O ATOM 0 H GLY A 2 -9.404 -30.415 17.138 1.00 70.21 H new ATOM 0 HA2 GLY A 2 -6.665 -31.387 17.693 1.00 10.01 H new ATOM 0 HA3 GLY A 2 -7.313 -30.858 16.154 1.00 10.01 H new ATOM 27 N HIS A 3 -5.539 -28.989 17.014 1.00 22.42 N ATOM 28 CA HIS A 3 -4.863 -27.694 17.232 1.00 52.23 C ATOM 29 C HIS A 3 -5.491 -26.594 16.334 1.00 30.35 C ATOM 30 O HIS A 3 -5.322 -26.585 15.110 1.00 33.14 O ATOM 31 CB HIS A 3 -3.310 -27.806 17.025 1.00 13.43 C ATOM 32 CG HIS A 3 -2.825 -28.114 15.622 1.00 33.24 C ATOM 33 ND1 HIS A 3 -2.486 -27.135 14.716 1.00 55.25 N ATOM 34 CD2 HIS A 3 -2.599 -29.289 14.991 1.00 73.44 C ATOM 35 CE1 HIS A 3 -2.081 -27.690 13.594 1.00 5.54 C ATOM 36 NE2 HIS A 3 -2.137 -28.997 13.738 1.00 13.14 N ATOM 0 H HIS A 3 -4.984 -29.661 16.484 1.00 22.42 H new ATOM 0 HA HIS A 3 -5.016 -27.404 18.271 1.00 52.23 H new ATOM 0 HB2 HIS A 3 -2.857 -26.867 17.342 1.00 13.43 H new ATOM 0 HB3 HIS A 3 -2.934 -28.582 17.692 1.00 13.43 H new ATOM 0 HD2 HIS A 3 -2.755 -30.276 15.401 1.00 73.44 H new ATOM 0 HE1 HIS A 3 -1.758 -27.164 12.708 1.00 5.54 H new ATOM 0 HE2 HIS A 3 -1.877 -29.682 13.028 1.00 13.14 H new ATOM 45 N HIS A 4 -6.282 -25.707 16.962 1.00 12.31 N ATOM 46 CA HIS A 4 -6.895 -24.546 16.288 1.00 3.41 C ATOM 47 C HIS A 4 -5.900 -23.384 16.301 1.00 13.43 C ATOM 48 O HIS A 4 -5.374 -23.041 17.367 1.00 60.04 O ATOM 49 CB HIS A 4 -8.210 -24.115 17.001 1.00 65.02 C ATOM 50 CG HIS A 4 -9.255 -25.186 17.054 1.00 74.23 C ATOM 51 ND1 HIS A 4 -9.600 -25.836 18.215 1.00 54.24 N ATOM 52 CD2 HIS A 4 -10.039 -25.709 16.086 1.00 53.21 C ATOM 53 CE1 HIS A 4 -10.546 -26.709 17.961 1.00 55.40 C ATOM 54 NE2 HIS A 4 -10.828 -26.654 16.673 1.00 21.00 N ATOM 0 H HIS A 4 -6.516 -25.774 17.953 1.00 12.31 H new ATOM 0 HA HIS A 4 -7.140 -24.823 15.263 1.00 3.41 H new ATOM 0 HB2 HIS A 4 -7.974 -23.802 18.018 1.00 65.02 H new ATOM 0 HB3 HIS A 4 -8.621 -23.246 16.488 1.00 65.02 H new ATOM 0 HD2 HIS A 4 -10.041 -25.431 15.042 1.00 53.21 H new ATOM 0 HE1 HIS A 4 -11.014 -27.362 18.683 1.00 55.40 H new ATOM 0 HE2 HIS A 4 -11.524 -27.226 16.194 1.00 21.00 H new ATOM 63 N HIS A 5 -5.647 -22.786 15.122 1.00 42.52 N ATOM 64 CA HIS A 5 -4.777 -21.598 14.983 1.00 34.31 C ATOM 65 C HIS A 5 -5.611 -20.333 15.306 1.00 60.15 C ATOM 66 O HIS A 5 -5.847 -19.468 14.446 1.00 62.52 O ATOM 67 CB HIS A 5 -4.158 -21.545 13.555 1.00 14.51 C ATOM 68 CG HIS A 5 -3.035 -20.545 13.397 1.00 51.41 C ATOM 69 ND1 HIS A 5 -3.078 -19.481 12.521 1.00 42.54 N ATOM 70 CD2 HIS A 5 -1.827 -20.470 14.010 1.00 1.45 C ATOM 71 CE1 HIS A 5 -1.953 -18.800 12.607 1.00 12.41 C ATOM 72 NE2 HIS A 5 -1.181 -19.382 13.500 1.00 60.34 N ATOM 0 H HIS A 5 -6.039 -23.111 14.238 1.00 42.52 H new ATOM 0 HA HIS A 5 -3.945 -21.652 15.685 1.00 34.31 H new ATOM 0 HB2 HIS A 5 -3.784 -22.536 13.297 1.00 14.51 H new ATOM 0 HB3 HIS A 5 -4.945 -21.305 12.840 1.00 14.51 H new ATOM 0 HD2 HIS A 5 -1.447 -21.146 14.762 1.00 1.45 H new ATOM 0 HE1 HIS A 5 -1.706 -17.914 12.041 1.00 12.41 H new ATOM 0 HE2 HIS A 5 -0.248 -19.069 13.768 1.00 60.34 H new ATOM 81 N HIS A 6 -6.083 -20.291 16.572 1.00 20.10 N ATOM 82 CA HIS A 6 -6.953 -19.228 17.115 1.00 61.14 C ATOM 83 C HIS A 6 -6.213 -17.880 17.102 1.00 10.34 C ATOM 84 O HIS A 6 -4.981 -17.865 17.194 1.00 20.23 O ATOM 85 CB HIS A 6 -7.409 -19.610 18.551 1.00 0.32 C ATOM 86 CG HIS A 6 -6.286 -19.719 19.556 1.00 61.02 C ATOM 87 ND1 HIS A 6 -5.973 -18.716 20.445 1.00 61.31 N ATOM 88 CD2 HIS A 6 -5.402 -20.718 19.800 1.00 30.01 C ATOM 89 CE1 HIS A 6 -4.954 -19.094 21.188 1.00 15.12 C ATOM 90 NE2 HIS A 6 -4.590 -20.303 20.817 1.00 24.43 N ATOM 0 H HIS A 6 -5.864 -21.012 17.259 1.00 20.10 H new ATOM 0 HA HIS A 6 -7.840 -19.127 16.490 1.00 61.14 H new ATOM 0 HB2 HIS A 6 -8.123 -18.865 18.902 1.00 0.32 H new ATOM 0 HB3 HIS A 6 -7.937 -20.563 18.510 1.00 0.32 H new ATOM 0 HD2 HIS A 6 -5.350 -21.666 19.286 1.00 30.01 H new ATOM 0 HE1 HIS A 6 -4.494 -18.510 21.971 1.00 15.12 H new ATOM 0 HE2 HIS A 6 -3.826 -20.843 21.223 1.00 24.43 H new ATOM 99 N HIS A 7 -6.980 -16.772 17.034 1.00 5.24 N ATOM 100 CA HIS A 7 -6.462 -15.453 16.616 1.00 55.42 C ATOM 101 C HIS A 7 -5.986 -15.560 15.144 1.00 23.34 C ATOM 102 O HIS A 7 -4.838 -15.261 14.813 1.00 3.31 O ATOM 103 CB HIS A 7 -5.328 -14.903 17.553 1.00 50.33 C ATOM 104 CG HIS A 7 -5.753 -14.492 18.937 1.00 54.12 C ATOM 105 ND1 HIS A 7 -4.897 -14.519 20.011 1.00 74.32 N ATOM 106 CD2 HIS A 7 -6.910 -13.958 19.395 1.00 12.03 C ATOM 107 CE1 HIS A 7 -5.504 -14.023 21.067 1.00 22.12 C ATOM 108 NE2 HIS A 7 -6.728 -13.676 20.722 1.00 30.34 N ATOM 0 H HIS A 7 -7.973 -16.766 17.267 1.00 5.24 H new ATOM 0 HA HIS A 7 -7.269 -14.725 16.699 1.00 55.42 H new ATOM 0 HB2 HIS A 7 -4.557 -15.668 17.644 1.00 50.33 H new ATOM 0 HB3 HIS A 7 -4.868 -14.043 17.066 1.00 50.33 H new ATOM 0 HD2 HIS A 7 -7.808 -13.787 18.821 1.00 12.03 H new ATOM 0 HE1 HIS A 7 -5.072 -13.918 22.051 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -7.425 -13.265 21.342 1.00 30.34 H new ATOM 117 N HIS A 8 -6.902 -16.032 14.278 1.00 61.14 N ATOM 118 CA HIS A 8 -6.623 -16.303 12.849 1.00 51.45 C ATOM 119 C HIS A 8 -6.375 -14.995 12.070 1.00 40.24 C ATOM 120 O HIS A 8 -5.530 -14.946 11.172 1.00 73.32 O ATOM 121 CB HIS A 8 -7.807 -17.106 12.250 1.00 74.34 C ATOM 122 CG HIS A 8 -7.682 -17.471 10.796 1.00 12.32 C ATOM 123 ND1 HIS A 8 -8.660 -17.187 9.875 1.00 13.12 N ATOM 124 CD2 HIS A 8 -6.712 -18.130 10.122 1.00 11.43 C ATOM 125 CE1 HIS A 8 -8.305 -17.654 8.701 1.00 44.51 C ATOM 126 NE2 HIS A 8 -7.125 -18.231 8.822 1.00 23.52 N ATOM 0 H HIS A 8 -7.864 -16.238 14.549 1.00 61.14 H new ATOM 0 HA HIS A 8 -5.711 -16.894 12.764 1.00 51.45 H new ATOM 0 HB2 HIS A 8 -7.928 -18.023 12.826 1.00 74.34 H new ATOM 0 HB3 HIS A 8 -8.719 -16.524 12.382 1.00 74.34 H new ATOM 0 HD2 HIS A 8 -5.786 -18.505 10.533 1.00 11.43 H new ATOM 0 HE1 HIS A 8 -8.881 -17.579 7.791 1.00 44.51 H new ATOM 0 HE2 HIS A 8 -6.605 -18.680 8.068 1.00 23.52 H new ATOM 135 N SER A 9 -7.099 -13.932 12.450 1.00 51.15 N ATOM 136 CA SER A 9 -6.987 -12.599 11.825 1.00 51.44 C ATOM 137 C SER A 9 -6.102 -11.655 12.675 1.00 51.44 C ATOM 138 O SER A 9 -6.211 -10.431 12.550 1.00 51.31 O ATOM 139 CB SER A 9 -8.405 -12.006 11.629 1.00 21.34 C ATOM 140 OG SER A 9 -9.152 -12.057 12.833 1.00 11.31 O ATOM 0 H SER A 9 -7.784 -13.970 13.205 1.00 51.15 H new ATOM 0 HA SER A 9 -6.505 -12.702 10.853 1.00 51.44 H new ATOM 0 HB2 SER A 9 -8.327 -10.973 11.290 1.00 21.34 H new ATOM 0 HB3 SER A 9 -8.929 -12.559 10.849 1.00 21.34 H new ATOM 0 HG SER A 9 -10.042 -11.675 12.682 1.00 11.31 H new ATOM 146 N HIS A 10 -5.215 -12.234 13.520 1.00 12.14 N ATOM 147 CA HIS A 10 -4.259 -11.468 14.355 1.00 21.22 C ATOM 148 C HIS A 10 -3.162 -10.861 13.454 1.00 23.20 C ATOM 149 O HIS A 10 -2.116 -11.477 13.220 1.00 55.10 O ATOM 150 CB HIS A 10 -3.649 -12.402 15.435 1.00 14.04 C ATOM 151 CG HIS A 10 -2.724 -11.756 16.438 1.00 52.44 C ATOM 152 ND1 HIS A 10 -1.356 -11.787 16.312 1.00 1.33 N ATOM 153 CD2 HIS A 10 -2.976 -11.133 17.614 1.00 21.23 C ATOM 154 CE1 HIS A 10 -0.805 -11.218 17.362 1.00 61.14 C ATOM 155 NE2 HIS A 10 -1.766 -10.810 18.165 1.00 65.12 N ATOM 0 H HIS A 10 -5.142 -13.244 13.642 1.00 12.14 H new ATOM 0 HA HIS A 10 -4.775 -10.653 14.862 1.00 21.22 H new ATOM 0 HB2 HIS A 10 -4.467 -12.874 15.979 1.00 14.04 H new ATOM 0 HB3 HIS A 10 -3.102 -13.197 14.929 1.00 14.04 H new ATOM 0 HD2 HIS A 10 -3.949 -10.930 18.037 1.00 21.23 H new ATOM 0 HE1 HIS A 10 0.255 -11.105 17.536 1.00 61.14 H new ATOM 0 HE2 HIS A 10 -1.630 -10.330 19.055 1.00 65.12 H new ATOM 164 N MET A 11 -3.464 -9.683 12.886 1.00 33.40 N ATOM 165 CA MET A 11 -2.573 -8.957 11.966 1.00 10.11 C ATOM 166 C MET A 11 -2.078 -7.671 12.640 1.00 24.35 C ATOM 167 O MET A 11 -2.877 -6.780 12.959 1.00 61.21 O ATOM 168 CB MET A 11 -3.321 -8.601 10.650 1.00 64.41 C ATOM 169 CG MET A 11 -3.879 -9.801 9.867 1.00 61.32 C ATOM 170 SD MET A 11 -2.597 -10.953 9.322 1.00 1.42 S ATOM 171 CE MET A 11 -1.625 -9.952 8.199 1.00 0.23 C ATOM 0 H MET A 11 -4.347 -9.201 13.055 1.00 33.40 H new ATOM 0 HA MET A 11 -1.724 -9.596 11.723 1.00 10.11 H new ATOM 0 HB2 MET A 11 -4.145 -7.930 10.890 1.00 64.41 H new ATOM 0 HB3 MET A 11 -2.640 -8.050 10.002 1.00 64.41 H new ATOM 0 HG2 MET A 11 -4.595 -10.334 10.493 1.00 61.32 H new ATOM 0 HG3 MET A 11 -4.425 -9.437 8.997 1.00 61.32 H new ATOM 0 HE1 MET A 11 -0.907 -10.584 7.677 1.00 0.23 H new ATOM 0 HE2 MET A 11 -2.284 -9.476 7.473 1.00 0.23 H new ATOM 0 HE3 MET A 11 -1.092 -9.186 8.763 1.00 0.23 H new ATOM 181 N PHE A 12 -0.771 -7.603 12.892 1.00 60.01 N ATOM 182 CA PHE A 12 -0.094 -6.387 13.365 1.00 32.21 C ATOM 183 C PHE A 12 0.775 -5.818 12.235 1.00 70.21 C ATOM 184 O PHE A 12 1.771 -6.433 11.831 1.00 41.20 O ATOM 185 CB PHE A 12 0.741 -6.683 14.647 1.00 70.51 C ATOM 186 CG PHE A 12 -0.087 -6.628 15.931 1.00 74.32 C ATOM 187 CD1 PHE A 12 -0.936 -7.673 16.292 1.00 25.12 C ATOM 188 CD2 PHE A 12 -0.029 -5.508 16.765 1.00 13.24 C ATOM 189 CE1 PHE A 12 -1.700 -7.597 17.441 1.00 54.12 C ATOM 190 CE2 PHE A 12 -0.789 -5.440 17.913 1.00 4.24 C ATOM 191 CZ PHE A 12 -1.625 -6.483 18.252 1.00 63.21 C ATOM 0 H PHE A 12 -0.142 -8.397 12.773 1.00 60.01 H new ATOM 0 HA PHE A 12 -0.837 -5.638 13.638 1.00 32.21 H new ATOM 0 HB2 PHE A 12 1.195 -7.670 14.557 1.00 70.51 H new ATOM 0 HB3 PHE A 12 1.556 -5.962 14.717 1.00 70.51 H new ATOM 0 HD1 PHE A 12 -0.997 -8.552 15.667 1.00 25.12 H new ATOM 0 HD2 PHE A 12 0.620 -4.685 16.506 1.00 13.24 H new ATOM 0 HE1 PHE A 12 -2.358 -8.412 17.705 1.00 54.12 H new ATOM 0 HE2 PHE A 12 -0.730 -4.568 18.548 1.00 4.24 H new ATOM 0 HZ PHE A 12 -2.220 -6.428 19.151 1.00 63.21 H new ATOM 201 N ILE A 13 0.359 -4.647 11.721 1.00 42.21 N ATOM 202 CA ILE A 13 1.080 -3.914 10.681 1.00 24.24 C ATOM 203 C ILE A 13 2.055 -2.930 11.359 1.00 23.32 C ATOM 204 O ILE A 13 1.646 -2.072 12.154 1.00 70.12 O ATOM 205 CB ILE A 13 0.092 -3.156 9.702 1.00 61.15 C ATOM 206 CG1 ILE A 13 -0.866 -4.184 9.002 1.00 13.51 C ATOM 207 CG2 ILE A 13 0.873 -2.308 8.658 1.00 53.14 C ATOM 208 CD1 ILE A 13 -1.891 -3.576 8.051 1.00 0.21 C ATOM 0 H ILE A 13 -0.498 -4.183 12.024 1.00 42.21 H new ATOM 0 HA ILE A 13 1.638 -4.622 10.068 1.00 24.24 H new ATOM 0 HB ILE A 13 -0.514 -2.465 10.288 1.00 61.15 H new ATOM 0 HG12 ILE A 13 -0.260 -4.901 8.447 1.00 13.51 H new ATOM 0 HG13 ILE A 13 -1.397 -4.744 9.772 1.00 13.51 H new ATOM 0 HG21 ILE A 13 0.167 -1.800 8.001 1.00 53.14 H new ATOM 0 HG22 ILE A 13 1.485 -1.568 9.174 1.00 53.14 H new ATOM 0 HG23 ILE A 13 1.515 -2.961 8.066 1.00 53.14 H new ATOM 0 HD11 ILE A 13 -2.503 -4.369 7.620 1.00 0.21 H new ATOM 0 HD12 ILE A 13 -2.529 -2.882 8.599 1.00 0.21 H new ATOM 0 HD13 ILE A 13 -1.375 -3.042 7.253 1.00 0.21 H new ATOM 220 N GLN A 14 3.338 -3.083 11.034 1.00 70.02 N ATOM 221 CA GLN A 14 4.441 -2.290 11.576 1.00 54.05 C ATOM 222 C GLN A 14 4.763 -1.183 10.573 1.00 10.40 C ATOM 223 O GLN A 14 5.129 -1.482 9.448 1.00 70.45 O ATOM 224 CB GLN A 14 5.676 -3.215 11.774 1.00 51.34 C ATOM 225 CG GLN A 14 6.938 -2.507 12.303 1.00 45.54 C ATOM 226 CD GLN A 14 8.213 -3.356 12.241 1.00 30.34 C ATOM 227 OE1 GLN A 14 8.351 -4.192 11.215 1.00 23.31 O flip ATOM 228 NE2 GLN A 14 9.099 -3.223 13.088 1.00 51.31 N flip ATOM 0 H GLN A 14 3.649 -3.786 10.364 1.00 70.02 H new ATOM 0 HA GLN A 14 4.174 -1.850 12.537 1.00 54.05 H new ATOM 0 HB2 GLN A 14 5.407 -4.013 12.467 1.00 51.34 H new ATOM 0 HB3 GLN A 14 5.914 -3.687 10.821 1.00 51.34 H new ATOM 0 HG2 GLN A 14 7.096 -1.594 11.729 1.00 45.54 H new ATOM 0 HG3 GLN A 14 6.765 -2.207 13.337 1.00 45.54 H new ATOM 0 HE21 GLN A 14 8.969 -2.575 13.865 1.00 51.31 H new ATOM 0 HE22 GLN A 14 9.962 -3.761 13.012 1.00 51.31 H new ATOM 237 N THR A 15 4.622 0.084 10.958 1.00 75.40 N ATOM 238 CA THR A 15 4.887 1.212 10.054 1.00 12.24 C ATOM 239 C THR A 15 6.266 1.814 10.341 1.00 33.45 C ATOM 240 O THR A 15 6.634 2.026 11.501 1.00 12.42 O ATOM 241 CB THR A 15 3.777 2.298 10.161 1.00 65.12 C ATOM 242 OG1 THR A 15 3.596 2.682 11.534 1.00 4.41 O ATOM 243 CG2 THR A 15 2.441 1.794 9.582 1.00 73.12 C ATOM 0 H THR A 15 4.324 0.361 11.894 1.00 75.40 H new ATOM 0 HA THR A 15 4.879 0.833 9.032 1.00 12.24 H new ATOM 0 HB THR A 15 4.096 3.162 9.578 1.00 65.12 H new ATOM 0 HG1 THR A 15 2.897 3.367 11.593 1.00 4.41 H new ATOM 0 HG21 THR A 15 1.687 2.576 9.672 1.00 73.12 H new ATOM 0 HG22 THR A 15 2.574 1.537 8.531 1.00 73.12 H new ATOM 0 HG23 THR A 15 2.116 0.911 10.133 1.00 73.12 H new ATOM 251 N GLN A 16 6.998 2.089 9.262 1.00 33.23 N ATOM 252 CA GLN A 16 8.353 2.632 9.287 1.00 0.42 C ATOM 253 C GLN A 16 8.389 3.834 8.330 1.00 64.25 C ATOM 254 O GLN A 16 7.843 3.757 7.228 1.00 25.42 O ATOM 255 CB GLN A 16 9.364 1.538 8.835 1.00 61.54 C ATOM 256 CG GLN A 16 10.849 1.954 8.929 1.00 62.43 C ATOM 257 CD GLN A 16 11.807 0.926 8.319 1.00 54.35 C ATOM 258 OE1 GLN A 16 12.149 1.004 7.143 1.00 34.10 O ATOM 259 NE2 GLN A 16 12.239 -0.045 9.108 1.00 14.12 N ATOM 0 H GLN A 16 6.651 1.934 8.315 1.00 33.23 H new ATOM 0 HA GLN A 16 8.629 2.948 10.293 1.00 0.42 H new ATOM 0 HB2 GLN A 16 9.211 0.647 9.444 1.00 61.54 H new ATOM 0 HB3 GLN A 16 9.143 1.261 7.804 1.00 61.54 H new ATOM 0 HG2 GLN A 16 10.984 2.910 8.424 1.00 62.43 H new ATOM 0 HG3 GLN A 16 11.110 2.107 9.976 1.00 62.43 H new ATOM 0 HE21 GLN A 16 11.937 -0.083 10.082 1.00 14.12 H new ATOM 0 HE22 GLN A 16 12.874 -0.755 8.742 1.00 14.12 H new ATOM 268 N ASP A 17 9.006 4.940 8.757 1.00 41.44 N ATOM 269 CA ASP A 17 9.111 6.162 7.935 1.00 12.41 C ATOM 270 C ASP A 17 10.155 5.955 6.814 1.00 65.32 C ATOM 271 O ASP A 17 11.078 5.140 6.945 1.00 74.32 O ATOM 272 CB ASP A 17 9.466 7.383 8.834 1.00 62.01 C ATOM 273 CG ASP A 17 9.605 8.715 8.066 1.00 1.22 C ATOM 274 OD1 ASP A 17 8.637 9.124 7.386 1.00 32.12 O ATOM 275 OD2 ASP A 17 10.686 9.339 8.123 1.00 50.31 O ATOM 0 H ASP A 17 9.445 5.020 9.674 1.00 41.44 H new ATOM 0 HA ASP A 17 8.150 6.367 7.463 1.00 12.41 H new ATOM 0 HB2 ASP A 17 8.695 7.495 9.596 1.00 62.01 H new ATOM 0 HB3 ASP A 17 10.401 7.177 9.354 1.00 62.01 H new ATOM 280 N THR A 18 9.996 6.710 5.724 1.00 10.00 N ATOM 281 CA THR A 18 10.803 6.583 4.496 1.00 4.43 C ATOM 282 C THR A 18 11.508 7.932 4.210 1.00 42.02 C ATOM 283 O THR A 18 11.105 8.932 4.812 1.00 13.44 O ATOM 284 CB THR A 18 9.876 6.170 3.298 1.00 4.31 C ATOM 285 OG1 THR A 18 8.839 7.136 3.122 1.00 0.20 O ATOM 286 CG2 THR A 18 9.239 4.780 3.494 1.00 10.34 C ATOM 0 H THR A 18 9.290 7.443 5.664 1.00 10.00 H new ATOM 0 HA THR A 18 11.562 5.811 4.624 1.00 4.43 H new ATOM 0 HB THR A 18 10.510 6.126 2.412 1.00 4.31 H new ATOM 0 HG1 THR A 18 8.174 7.035 3.835 1.00 0.20 H new ATOM 0 HG21 THR A 18 8.608 4.545 2.637 1.00 10.34 H new ATOM 0 HG22 THR A 18 10.024 4.029 3.584 1.00 10.34 H new ATOM 0 HG23 THR A 18 8.634 4.782 4.400 1.00 10.34 H new ATOM 294 N PRO A 19 12.574 7.982 3.311 1.00 13.32 N ATOM 295 CA PRO A 19 13.298 9.241 2.919 1.00 40.33 C ATOM 296 C PRO A 19 12.410 10.502 2.753 1.00 61.31 C ATOM 297 O PRO A 19 12.830 11.614 3.091 1.00 34.15 O ATOM 298 CB PRO A 19 13.941 8.844 1.576 1.00 65.44 C ATOM 299 CG PRO A 19 14.312 7.401 1.768 1.00 34.13 C ATOM 300 CD PRO A 19 13.211 6.800 2.638 1.00 2.43 C ATOM 0 HA PRO A 19 13.992 9.548 3.702 1.00 40.33 H new ATOM 0 HB2 PRO A 19 13.245 8.971 0.747 1.00 65.44 H new ATOM 0 HB3 PRO A 19 14.816 9.456 1.355 1.00 65.44 H new ATOM 0 HG2 PRO A 19 14.380 6.884 0.811 1.00 34.13 H new ATOM 0 HG3 PRO A 19 15.285 7.308 2.250 1.00 34.13 H new ATOM 0 HD2 PRO A 19 12.488 6.248 2.038 1.00 2.43 H new ATOM 0 HD3 PRO A 19 13.619 6.101 3.368 1.00 2.43 H new ATOM 308 N ASN A 20 11.177 10.307 2.251 1.00 13.34 N ATOM 309 CA ASN A 20 10.149 11.364 2.130 1.00 44.13 C ATOM 310 C ASN A 20 9.007 11.056 3.125 1.00 61.34 C ATOM 311 O ASN A 20 8.477 9.943 3.102 1.00 14.03 O ATOM 312 CB ASN A 20 9.602 11.434 0.675 1.00 65.42 C ATOM 313 CG ASN A 20 10.653 11.906 -0.337 1.00 51.11 C ATOM 314 OD1 ASN A 20 11.455 11.119 -0.827 1.00 44.33 O ATOM 315 ND2 ASN A 20 10.660 13.193 -0.662 1.00 63.24 N ATOM 0 H ASN A 20 10.860 9.399 1.912 1.00 13.34 H new ATOM 0 HA ASN A 20 10.590 12.333 2.364 1.00 44.13 H new ATOM 0 HB2 ASN A 20 9.239 10.449 0.381 1.00 65.42 H new ATOM 0 HB3 ASN A 20 8.748 12.110 0.646 1.00 65.42 H new ATOM 0 HD21 ASN A 20 11.343 13.546 -1.333 1.00 63.24 H new ATOM 0 HD22 ASN A 20 9.983 13.829 -0.241 1.00 63.24 H new ATOM 322 N PRO A 21 8.598 12.027 4.013 1.00 71.24 N ATOM 323 CA PRO A 21 7.507 11.800 5.004 1.00 71.02 C ATOM 324 C PRO A 21 6.112 11.687 4.343 1.00 22.53 C ATOM 325 O PRO A 21 5.165 11.183 4.959 1.00 52.14 O ATOM 326 CB PRO A 21 7.605 13.044 5.922 1.00 45.10 C ATOM 327 CG PRO A 21 8.184 14.116 5.045 1.00 60.43 C ATOM 328 CD PRO A 21 9.166 13.402 4.134 1.00 31.22 C ATOM 0 HA PRO A 21 7.621 10.856 5.538 1.00 71.02 H new ATOM 0 HB2 PRO A 21 6.626 13.332 6.306 1.00 45.10 H new ATOM 0 HB3 PRO A 21 8.242 12.851 6.785 1.00 45.10 H new ATOM 0 HG2 PRO A 21 7.405 14.616 4.469 1.00 60.43 H new ATOM 0 HG3 PRO A 21 8.683 14.882 5.638 1.00 60.43 H new ATOM 0 HD2 PRO A 21 9.241 13.892 3.163 1.00 31.22 H new ATOM 0 HD3 PRO A 21 10.169 13.385 4.561 1.00 31.22 H new ATOM 336 N ASN A 22 6.011 12.125 3.068 1.00 22.55 N ATOM 337 CA ASN A 22 4.761 12.047 2.278 1.00 44.03 C ATOM 338 C ASN A 22 4.466 10.575 1.880 1.00 61.35 C ATOM 339 O ASN A 22 3.377 10.252 1.415 1.00 74.03 O ATOM 340 CB ASN A 22 4.861 12.950 1.012 1.00 45.21 C ATOM 341 CG ASN A 22 3.501 13.287 0.387 1.00 25.52 C ATOM 342 OD1 ASN A 22 2.521 13.480 1.090 1.00 3.11 O ATOM 343 ND2 ASN A 22 3.432 13.358 -0.924 1.00 5.42 N ATOM 0 H ASN A 22 6.791 12.541 2.559 1.00 22.55 H new ATOM 0 HA ASN A 22 3.937 12.409 2.892 1.00 44.03 H new ATOM 0 HB2 ASN A 22 5.369 13.877 1.277 1.00 45.21 H new ATOM 0 HB3 ASN A 22 5.479 12.449 0.267 1.00 45.21 H new ATOM 0 HD21 ASN A 22 2.545 13.579 -1.377 1.00 5.42 H new ATOM 0 HD22 ASN A 22 4.265 13.192 -1.488 1.00 5.42 H new ATOM 350 N SER A 23 5.469 9.700 2.082 1.00 14.44 N ATOM 351 CA SER A 23 5.358 8.250 1.884 1.00 3.51 C ATOM 352 C SER A 23 5.624 7.523 3.219 1.00 41.43 C ATOM 353 O SER A 23 6.366 8.028 4.076 1.00 41.22 O ATOM 354 CB SER A 23 6.330 7.794 0.761 1.00 11.21 C ATOM 355 OG SER A 23 7.609 8.370 0.918 1.00 2.40 O ATOM 0 H SER A 23 6.396 9.991 2.393 1.00 14.44 H new ATOM 0 HA SER A 23 4.349 7.992 1.564 1.00 3.51 H new ATOM 0 HB2 SER A 23 6.415 6.707 0.771 1.00 11.21 H new ATOM 0 HB3 SER A 23 5.921 8.072 -0.210 1.00 11.21 H new ATOM 0 HG SER A 23 8.062 7.958 1.683 1.00 2.40 H new ATOM 361 N LEU A 24 4.968 6.369 3.404 1.00 11.04 N ATOM 362 CA LEU A 24 5.098 5.531 4.615 1.00 5.53 C ATOM 363 C LEU A 24 5.188 4.049 4.210 1.00 20.34 C ATOM 364 O LEU A 24 4.546 3.622 3.243 1.00 52.12 O ATOM 365 CB LEU A 24 3.885 5.779 5.550 1.00 53.04 C ATOM 366 CG LEU A 24 3.918 5.093 6.955 1.00 21.11 C ATOM 367 CD1 LEU A 24 5.116 5.572 7.801 1.00 71.41 C ATOM 368 CD2 LEU A 24 2.586 5.309 7.701 1.00 44.35 C ATOM 0 H LEU A 24 4.325 5.983 2.713 1.00 11.04 H new ATOM 0 HA LEU A 24 6.008 5.796 5.153 1.00 5.53 H new ATOM 0 HB2 LEU A 24 3.788 6.854 5.700 1.00 53.04 H new ATOM 0 HB3 LEU A 24 2.985 5.447 5.032 1.00 53.04 H new ATOM 0 HG LEU A 24 4.049 4.023 6.794 1.00 21.11 H new ATOM 0 HD11 LEU A 24 5.101 5.071 8.769 1.00 71.41 H new ATOM 0 HD12 LEU A 24 6.045 5.334 7.283 1.00 71.41 H new ATOM 0 HD13 LEU A 24 5.049 6.650 7.949 1.00 71.41 H new ATOM 0 HD21 LEU A 24 2.632 4.823 8.676 1.00 44.35 H new ATOM 0 HD22 LEU A 24 2.413 6.377 7.836 1.00 44.35 H new ATOM 0 HD23 LEU A 24 1.770 4.880 7.120 1.00 44.35 H new ATOM 380 N LYS A 25 5.989 3.281 4.962 1.00 12.20 N ATOM 381 CA LYS A 25 6.252 1.854 4.712 1.00 12.41 C ATOM 382 C LYS A 25 5.389 0.993 5.666 1.00 73.12 C ATOM 383 O LYS A 25 5.508 1.116 6.883 1.00 62.41 O ATOM 384 CB LYS A 25 7.767 1.594 4.940 1.00 51.43 C ATOM 385 CG LYS A 25 8.253 0.155 4.692 1.00 25.15 C ATOM 386 CD LYS A 25 9.729 -0.015 5.120 1.00 21.41 C ATOM 387 CE LYS A 25 10.279 -1.433 4.937 1.00 74.31 C ATOM 388 NZ LYS A 25 10.418 -1.804 3.506 1.00 35.34 N ATOM 0 H LYS A 25 6.483 3.641 5.779 1.00 12.20 H new ATOM 0 HA LYS A 25 5.990 1.585 3.689 1.00 12.41 H new ATOM 0 HB2 LYS A 25 8.331 2.263 4.290 1.00 51.43 H new ATOM 0 HB3 LYS A 25 8.011 1.866 5.967 1.00 51.43 H new ATOM 0 HG2 LYS A 25 7.627 -0.544 5.247 1.00 25.15 H new ATOM 0 HG3 LYS A 25 8.147 -0.091 3.635 1.00 25.15 H new ATOM 0 HD2 LYS A 25 10.344 0.678 4.545 1.00 21.41 H new ATOM 0 HD3 LYS A 25 9.826 0.267 6.168 1.00 21.41 H new ATOM 0 HE2 LYS A 25 11.250 -1.509 5.426 1.00 74.31 H new ATOM 0 HE3 LYS A 25 9.617 -2.144 5.431 1.00 74.31 H new ATOM 0 HZ1 LYS A 25 9.927 -2.704 3.331 1.00 35.34 H new ATOM 0 HZ2 LYS A 25 9.999 -1.060 2.912 1.00 35.34 H new ATOM 0 HZ3 LYS A 25 11.426 -1.908 3.271 1.00 35.34 H new ATOM 402 N PHE A 26 4.517 0.137 5.104 1.00 43.45 N ATOM 403 CA PHE A 26 3.587 -0.718 5.866 1.00 13.14 C ATOM 404 C PHE A 26 4.066 -2.180 5.799 1.00 31.42 C ATOM 405 O PHE A 26 3.973 -2.806 4.751 1.00 32.43 O ATOM 406 CB PHE A 26 2.156 -0.605 5.264 1.00 51.43 C ATOM 407 CG PHE A 26 1.605 0.822 5.203 1.00 23.13 C ATOM 408 CD1 PHE A 26 1.855 1.647 4.102 1.00 3.32 C ATOM 409 CD2 PHE A 26 0.832 1.335 6.243 1.00 54.23 C ATOM 410 CE1 PHE A 26 1.349 2.933 4.050 1.00 41.44 C ATOM 411 CE2 PHE A 26 0.324 2.618 6.186 1.00 1.10 C ATOM 412 CZ PHE A 26 0.582 3.417 5.090 1.00 31.12 C ATOM 0 H PHE A 26 4.437 0.017 4.094 1.00 43.45 H new ATOM 0 HA PHE A 26 3.563 -0.392 6.906 1.00 13.14 H new ATOM 0 HB2 PHE A 26 2.165 -1.021 4.257 1.00 51.43 H new ATOM 0 HB3 PHE A 26 1.477 -1.218 5.856 1.00 51.43 H new ATOM 0 HD1 PHE A 26 2.451 1.275 3.282 1.00 3.32 H new ATOM 0 HD2 PHE A 26 0.627 0.720 7.107 1.00 54.23 H new ATOM 0 HE1 PHE A 26 1.554 3.559 3.194 1.00 41.44 H new ATOM 0 HE2 PHE A 26 -0.276 2.997 7.000 1.00 1.10 H new ATOM 0 HZ PHE A 26 0.184 4.420 5.047 1.00 31.12 H new ATOM 422 N ILE A 27 4.587 -2.714 6.909 1.00 62.15 N ATOM 423 CA ILE A 27 5.009 -4.125 7.017 1.00 2.21 C ATOM 424 C ILE A 27 3.798 -4.928 7.544 1.00 3.14 C ATOM 425 O ILE A 27 3.473 -4.811 8.723 1.00 63.03 O ATOM 426 CB ILE A 27 6.259 -4.330 7.986 1.00 53.30 C ATOM 427 CG1 ILE A 27 7.559 -3.620 7.458 1.00 53.53 C ATOM 428 CG2 ILE A 27 6.537 -5.837 8.249 1.00 64.21 C ATOM 429 CD1 ILE A 27 7.591 -2.105 7.607 1.00 31.22 C ATOM 0 H ILE A 27 4.731 -2.180 7.766 1.00 62.15 H new ATOM 0 HA ILE A 27 5.330 -4.470 6.034 1.00 2.21 H new ATOM 0 HB ILE A 27 5.989 -3.856 8.929 1.00 53.30 H new ATOM 0 HG12 ILE A 27 8.418 -4.037 7.985 1.00 53.53 H new ATOM 0 HG13 ILE A 27 7.682 -3.866 6.403 1.00 53.53 H new ATOM 0 HG21 ILE A 27 7.395 -5.938 8.913 1.00 64.21 H new ATOM 0 HG22 ILE A 27 5.663 -6.293 8.714 1.00 64.21 H new ATOM 0 HG23 ILE A 27 6.748 -6.338 7.304 1.00 64.21 H new ATOM 0 HD11 ILE A 27 8.531 -1.720 7.211 1.00 31.22 H new ATOM 0 HD12 ILE A 27 6.759 -1.667 7.055 1.00 31.22 H new ATOM 0 HD13 ILE A 27 7.506 -1.841 8.661 1.00 31.22 H new ATOM 441 N PRO A 28 3.091 -5.738 6.693 1.00 73.21 N ATOM 442 CA PRO A 28 1.869 -6.482 7.128 1.00 3.45 C ATOM 443 C PRO A 28 2.182 -7.711 8.014 1.00 30.42 C ATOM 444 O PRO A 28 1.263 -8.370 8.502 1.00 21.21 O ATOM 445 CB PRO A 28 1.232 -6.890 5.778 1.00 72.31 C ATOM 446 CG PRO A 28 2.402 -7.067 4.853 1.00 41.45 C ATOM 447 CD PRO A 28 3.410 -6.004 5.256 1.00 71.14 C ATOM 0 HA PRO A 28 1.217 -5.881 7.762 1.00 3.45 H new ATOM 0 HB2 PRO A 28 0.657 -7.811 5.872 1.00 72.31 H new ATOM 0 HB3 PRO A 28 0.549 -6.123 5.413 1.00 72.31 H new ATOM 0 HG2 PRO A 28 2.828 -8.066 4.947 1.00 41.45 H new ATOM 0 HG3 PRO A 28 2.100 -6.946 3.813 1.00 41.45 H new ATOM 0 HD2 PRO A 28 4.434 -6.356 5.132 1.00 71.14 H new ATOM 0 HD3 PRO A 28 3.307 -5.104 4.650 1.00 71.14 H new ATOM 455 N GLY A 29 3.486 -8.001 8.209 1.00 63.41 N ATOM 456 CA GLY A 29 3.938 -9.160 8.978 1.00 72.34 C ATOM 457 C GLY A 29 3.982 -10.439 8.144 1.00 10.12 C ATOM 458 O GLY A 29 4.121 -11.539 8.694 1.00 50.31 O ATOM 0 H GLY A 29 4.247 -7.434 7.835 1.00 63.41 H new ATOM 0 HA2 GLY A 29 4.931 -8.959 9.381 1.00 72.34 H new ATOM 0 HA3 GLY A 29 3.273 -9.308 9.829 1.00 72.34 H new ATOM 462 N LYS A 30 3.858 -10.291 6.804 1.00 12.52 N ATOM 463 CA LYS A 30 3.898 -11.407 5.841 1.00 54.32 C ATOM 464 C LYS A 30 4.809 -11.045 4.643 1.00 43.24 C ATOM 465 O LYS A 30 4.855 -9.872 4.235 1.00 32.22 O ATOM 466 CB LYS A 30 2.467 -11.758 5.332 1.00 42.32 C ATOM 467 CG LYS A 30 1.523 -12.346 6.408 1.00 41.32 C ATOM 468 CD LYS A 30 0.160 -12.806 5.838 1.00 13.22 C ATOM 469 CE LYS A 30 0.286 -13.947 4.807 1.00 50.44 C ATOM 470 NZ LYS A 30 -1.030 -14.330 4.234 1.00 55.31 N ATOM 0 H LYS A 30 3.726 -9.382 6.361 1.00 12.52 H new ATOM 0 HA LYS A 30 4.305 -12.280 6.351 1.00 54.32 H new ATOM 0 HB2 LYS A 30 2.011 -10.857 4.922 1.00 42.32 H new ATOM 0 HB3 LYS A 30 2.553 -12.473 4.514 1.00 42.32 H new ATOM 0 HG2 LYS A 30 2.013 -13.193 6.888 1.00 41.32 H new ATOM 0 HG3 LYS A 30 1.352 -11.597 7.181 1.00 41.32 H new ATOM 0 HD2 LYS A 30 -0.477 -13.135 6.659 1.00 13.22 H new ATOM 0 HD3 LYS A 30 -0.337 -11.956 5.370 1.00 13.22 H new ATOM 0 HE2 LYS A 30 0.954 -13.637 4.004 1.00 50.44 H new ATOM 0 HE3 LYS A 30 0.741 -14.816 5.282 1.00 50.44 H new ATOM 0 HZ1 LYS A 30 -0.899 -15.099 3.547 1.00 55.31 H new ATOM 0 HZ2 LYS A 30 -1.660 -14.651 4.996 1.00 55.31 H new ATOM 0 HZ3 LYS A 30 -1.453 -13.508 3.757 1.00 55.31 H new ATOM 484 N PRO A 31 5.548 -12.052 4.062 1.00 71.13 N ATOM 485 CA PRO A 31 6.349 -11.847 2.841 1.00 5.53 C ATOM 486 C PRO A 31 5.449 -11.702 1.593 1.00 51.24 C ATOM 487 O PRO A 31 5.133 -12.682 0.918 1.00 41.13 O ATOM 488 CB PRO A 31 7.253 -13.108 2.791 1.00 63.12 C ATOM 489 CG PRO A 31 6.490 -14.170 3.521 1.00 50.21 C ATOM 490 CD PRO A 31 5.671 -13.450 4.572 1.00 55.24 C ATOM 0 HA PRO A 31 6.932 -10.926 2.854 1.00 5.53 H new ATOM 0 HB2 PRO A 31 7.456 -13.406 1.762 1.00 63.12 H new ATOM 0 HB3 PRO A 31 8.217 -12.920 3.264 1.00 63.12 H new ATOM 0 HG2 PRO A 31 5.847 -14.726 2.839 1.00 50.21 H new ATOM 0 HG3 PRO A 31 7.167 -14.891 3.980 1.00 50.21 H new ATOM 0 HD2 PRO A 31 4.692 -13.913 4.698 1.00 55.24 H new ATOM 0 HD3 PRO A 31 6.163 -13.475 5.544 1.00 55.24 H new ATOM 498 N VAL A 32 4.991 -10.458 1.351 1.00 34.54 N ATOM 499 CA VAL A 32 4.076 -10.118 0.240 1.00 63.01 C ATOM 500 C VAL A 32 4.748 -10.317 -1.139 1.00 64.22 C ATOM 501 O VAL A 32 4.210 -11.013 -2.008 1.00 63.51 O ATOM 502 CB VAL A 32 3.508 -8.650 0.394 1.00 72.30 C ATOM 503 CG1 VAL A 32 2.559 -8.559 1.611 1.00 34.20 C ATOM 504 CG2 VAL A 32 4.634 -7.583 0.502 1.00 14.22 C ATOM 0 H VAL A 32 5.247 -9.654 1.924 1.00 34.54 H new ATOM 0 HA VAL A 32 3.234 -10.809 0.292 1.00 63.01 H new ATOM 0 HB VAL A 32 2.947 -8.431 -0.514 1.00 72.30 H new ATOM 0 HG11 VAL A 32 2.178 -7.541 1.700 1.00 34.20 H new ATOM 0 HG12 VAL A 32 1.725 -9.248 1.474 1.00 34.20 H new ATOM 0 HG13 VAL A 32 3.103 -8.824 2.517 1.00 34.20 H new ATOM 0 HG21 VAL A 32 4.189 -6.593 0.606 1.00 14.22 H new ATOM 0 HG22 VAL A 32 5.254 -7.795 1.373 1.00 14.22 H new ATOM 0 HG23 VAL A 32 5.250 -7.611 -0.397 1.00 14.22 H new ATOM 514 N LEU A 33 5.939 -9.713 -1.308 1.00 31.00 N ATOM 515 CA LEU A 33 6.754 -9.815 -2.525 1.00 41.20 C ATOM 516 C LEU A 33 8.232 -9.836 -2.128 1.00 53.33 C ATOM 517 O LEU A 33 8.957 -8.862 -2.307 1.00 63.02 O ATOM 518 CB LEU A 33 6.457 -8.645 -3.530 1.00 11.51 C ATOM 519 CG LEU A 33 5.146 -8.743 -4.382 1.00 0.22 C ATOM 520 CD1 LEU A 33 5.010 -7.528 -5.317 1.00 1.31 C ATOM 521 CD2 LEU A 33 5.103 -10.060 -5.187 1.00 21.20 C ATOM 0 H LEU A 33 6.366 -9.131 -0.588 1.00 31.00 H new ATOM 0 HA LEU A 33 6.498 -10.739 -3.043 1.00 41.20 H new ATOM 0 HB2 LEU A 33 6.422 -7.715 -2.963 1.00 11.51 H new ATOM 0 HB3 LEU A 33 7.300 -8.568 -4.217 1.00 11.51 H new ATOM 0 HG LEU A 33 4.300 -8.742 -3.695 1.00 0.22 H new ATOM 0 HD11 LEU A 33 4.093 -7.617 -5.899 1.00 1.31 H new ATOM 0 HD12 LEU A 33 4.976 -6.614 -4.724 1.00 1.31 H new ATOM 0 HD13 LEU A 33 5.865 -7.491 -5.992 1.00 1.31 H new ATOM 0 HD21 LEU A 33 4.182 -10.101 -5.769 1.00 21.20 H new ATOM 0 HD22 LEU A 33 5.960 -10.103 -5.860 1.00 21.20 H new ATOM 0 HD23 LEU A 33 5.137 -10.907 -4.501 1.00 21.20 H new ATOM 533 N GLU A 34 8.655 -10.949 -1.543 1.00 71.44 N ATOM 534 CA GLU A 34 10.082 -11.224 -1.288 1.00 5.03 C ATOM 535 C GLU A 34 10.801 -11.579 -2.615 1.00 42.12 C ATOM 536 O GLU A 34 12.013 -11.396 -2.744 1.00 24.34 O ATOM 537 CB GLU A 34 10.262 -12.367 -0.217 1.00 54.23 C ATOM 538 CG GLU A 34 9.165 -13.472 -0.178 1.00 11.02 C ATOM 539 CD GLU A 34 8.863 -14.152 -1.526 1.00 62.41 C ATOM 540 OE1 GLU A 34 9.649 -15.010 -1.956 1.00 71.22 O ATOM 541 OE2 GLU A 34 7.853 -13.782 -2.179 1.00 51.01 O ATOM 0 H GLU A 34 8.029 -11.691 -1.229 1.00 71.44 H new ATOM 0 HA GLU A 34 10.539 -10.323 -0.878 1.00 5.03 H new ATOM 0 HB2 GLU A 34 11.224 -12.849 -0.393 1.00 54.23 H new ATOM 0 HB3 GLU A 34 10.313 -11.904 0.769 1.00 54.23 H new ATOM 0 HG2 GLU A 34 9.470 -14.238 0.535 1.00 11.02 H new ATOM 0 HG3 GLU A 34 8.243 -13.031 0.202 1.00 11.02 H new ATOM 548 N THR A 35 10.015 -12.094 -3.586 1.00 73.14 N ATOM 549 CA THR A 35 10.499 -12.525 -4.907 1.00 73.33 C ATOM 550 C THR A 35 10.999 -11.330 -5.750 1.00 41.41 C ATOM 551 O THR A 35 12.011 -11.451 -6.455 1.00 60.54 O ATOM 552 CB THR A 35 9.380 -13.320 -5.680 1.00 55.12 C ATOM 553 OG1 THR A 35 9.828 -13.694 -6.999 1.00 33.10 O ATOM 554 CG2 THR A 35 8.066 -12.519 -5.797 1.00 65.31 C ATOM 0 H THR A 35 9.010 -12.222 -3.467 1.00 73.14 H new ATOM 0 HA THR A 35 11.347 -13.190 -4.743 1.00 73.33 H new ATOM 0 HB THR A 35 9.181 -14.217 -5.094 1.00 55.12 H new ATOM 0 HG1 THR A 35 9.117 -14.188 -7.458 1.00 33.10 H new ATOM 0 HG21 THR A 35 7.327 -13.110 -6.338 1.00 65.31 H new ATOM 0 HG22 THR A 35 7.689 -12.290 -4.800 1.00 65.31 H new ATOM 0 HG23 THR A 35 8.253 -11.590 -6.336 1.00 65.31 H new ATOM 562 N ARG A 36 10.301 -10.179 -5.656 1.00 64.50 N ATOM 563 CA ARG A 36 10.608 -8.978 -6.460 1.00 15.42 C ATOM 564 C ARG A 36 9.959 -7.733 -5.832 1.00 33.01 C ATOM 565 O ARG A 36 9.325 -7.809 -4.785 1.00 64.34 O ATOM 566 CB ARG A 36 10.105 -9.152 -7.929 1.00 40.32 C ATOM 567 CG ARG A 36 8.563 -9.269 -8.078 1.00 73.43 C ATOM 568 CD ARG A 36 8.117 -9.336 -9.549 1.00 44.52 C ATOM 569 NE ARG A 36 8.765 -10.434 -10.288 1.00 60.54 N ATOM 570 CZ ARG A 36 8.366 -11.715 -10.289 1.00 14.20 C ATOM 571 NH1 ARG A 36 7.302 -12.106 -9.588 1.00 61.34 N ATOM 572 NH2 ARG A 36 9.041 -12.600 -10.997 1.00 12.43 N ATOM 0 H ARG A 36 9.511 -10.056 -5.022 1.00 64.50 H new ATOM 0 HA ARG A 36 11.690 -8.848 -6.474 1.00 15.42 H new ATOM 0 HB2 ARG A 36 10.450 -8.303 -8.520 1.00 40.32 H new ATOM 0 HB3 ARG A 36 10.566 -10.044 -8.353 1.00 40.32 H new ATOM 0 HG2 ARG A 36 8.217 -10.161 -7.556 1.00 73.43 H new ATOM 0 HG3 ARG A 36 8.089 -8.414 -7.596 1.00 73.43 H new ATOM 0 HD2 ARG A 36 7.035 -9.463 -9.591 1.00 44.52 H new ATOM 0 HD3 ARG A 36 8.346 -8.389 -10.038 1.00 44.52 H new ATOM 0 HE ARG A 36 9.586 -10.200 -10.846 1.00 60.54 H new ATOM 0 HH11 ARG A 36 6.776 -11.427 -9.038 1.00 61.34 H new ATOM 0 HH12 ARG A 36 7.014 -13.084 -9.601 1.00 61.34 H new ATOM 0 HH21 ARG A 36 9.856 -12.307 -11.536 1.00 12.43 H new ATOM 0 HH22 ARG A 36 8.748 -13.577 -11.006 1.00 12.43 H new ATOM 586 N THR A 37 10.137 -6.593 -6.496 1.00 2.21 N ATOM 587 CA THR A 37 9.426 -5.349 -6.188 1.00 41.44 C ATOM 588 C THR A 37 8.523 -4.995 -7.381 1.00 63.31 C ATOM 589 O THR A 37 8.873 -5.287 -8.531 1.00 73.03 O ATOM 590 CB THR A 37 10.428 -4.187 -5.896 1.00 50.43 C ATOM 591 OG1 THR A 37 11.294 -3.977 -7.027 1.00 11.22 O ATOM 592 CG2 THR A 37 11.290 -4.470 -4.652 1.00 23.43 C ATOM 0 H THR A 37 10.789 -6.504 -7.276 1.00 2.21 H new ATOM 0 HA THR A 37 8.821 -5.490 -5.292 1.00 41.44 H new ATOM 0 HB THR A 37 9.834 -3.293 -5.708 1.00 50.43 H new ATOM 0 HG1 THR A 37 11.916 -3.245 -6.832 1.00 11.22 H new ATOM 0 HG21 THR A 37 11.973 -3.637 -4.485 1.00 23.43 H new ATOM 0 HG22 THR A 37 10.645 -4.590 -3.782 1.00 23.43 H new ATOM 0 HG23 THR A 37 11.864 -5.384 -4.807 1.00 23.43 H new ATOM 600 N MET A 38 7.362 -4.378 -7.109 1.00 40.34 N ATOM 601 CA MET A 38 6.391 -3.981 -8.147 1.00 70.31 C ATOM 602 C MET A 38 5.881 -2.565 -7.856 1.00 53.21 C ATOM 603 O MET A 38 5.100 -2.355 -6.926 1.00 21.21 O ATOM 604 CB MET A 38 5.209 -4.991 -8.238 1.00 71.52 C ATOM 605 CG MET A 38 5.587 -6.361 -8.833 1.00 73.34 C ATOM 606 SD MET A 38 4.177 -7.472 -8.977 1.00 20.41 S ATOM 607 CE MET A 38 3.089 -6.494 -10.010 1.00 53.30 C ATOM 0 H MET A 38 7.068 -4.139 -6.162 1.00 40.34 H new ATOM 0 HA MET A 38 6.894 -3.988 -9.114 1.00 70.31 H new ATOM 0 HB2 MET A 38 4.799 -5.143 -7.239 1.00 71.52 H new ATOM 0 HB3 MET A 38 4.417 -4.551 -8.844 1.00 71.52 H new ATOM 0 HG2 MET A 38 6.030 -6.214 -9.818 1.00 73.34 H new ATOM 0 HG3 MET A 38 6.348 -6.826 -8.207 1.00 73.34 H new ATOM 0 HE1 MET A 38 2.193 -6.231 -9.448 1.00 53.30 H new ATOM 0 HE2 MET A 38 3.603 -5.584 -10.321 1.00 53.30 H new ATOM 0 HE3 MET A 38 2.808 -7.071 -10.891 1.00 53.30 H new ATOM 617 N ASP A 39 6.358 -1.606 -8.651 1.00 1.40 N ATOM 618 CA ASP A 39 5.970 -0.189 -8.549 1.00 53.02 C ATOM 619 C ASP A 39 4.655 0.053 -9.301 1.00 32.24 C ATOM 620 O ASP A 39 4.422 -0.527 -10.365 1.00 71.20 O ATOM 621 CB ASP A 39 7.098 0.719 -9.119 1.00 75.45 C ATOM 622 CG ASP A 39 7.407 0.444 -10.604 1.00 62.42 C ATOM 623 OD1 ASP A 39 8.043 -0.590 -10.905 1.00 71.30 O ATOM 624 OD2 ASP A 39 6.978 1.225 -11.479 1.00 31.12 O ATOM 0 H ASP A 39 7.033 -1.788 -9.394 1.00 1.40 H new ATOM 0 HA ASP A 39 5.821 0.062 -7.499 1.00 53.02 H new ATOM 0 HB2 ASP A 39 6.809 1.763 -9.002 1.00 75.45 H new ATOM 0 HB3 ASP A 39 8.005 0.572 -8.533 1.00 75.45 H new ATOM 629 N PHE A 40 3.793 0.885 -8.707 1.00 4.42 N ATOM 630 CA PHE A 40 2.545 1.376 -9.324 1.00 13.50 C ATOM 631 C PHE A 40 2.558 2.917 -9.246 1.00 51.54 C ATOM 632 O PHE A 40 2.026 3.503 -8.287 1.00 64.44 O ATOM 633 CB PHE A 40 1.300 0.768 -8.615 1.00 70.14 C ATOM 634 CG PHE A 40 1.350 -0.755 -8.521 1.00 62.35 C ATOM 635 CD1 PHE A 40 1.118 -1.544 -9.644 1.00 32.14 C ATOM 636 CD2 PHE A 40 1.661 -1.394 -7.323 1.00 61.32 C ATOM 637 CE1 PHE A 40 1.180 -2.920 -9.570 1.00 15.14 C ATOM 638 CE2 PHE A 40 1.725 -2.769 -7.256 1.00 60.51 C ATOM 639 CZ PHE A 40 1.485 -3.531 -8.376 1.00 63.42 C ATOM 0 H PHE A 40 3.942 1.246 -7.765 1.00 4.42 H new ATOM 0 HA PHE A 40 2.484 1.065 -10.367 1.00 13.50 H new ATOM 0 HB2 PHE A 40 1.220 1.186 -7.611 1.00 70.14 H new ATOM 0 HB3 PHE A 40 0.401 1.064 -9.155 1.00 70.14 H new ATOM 0 HD1 PHE A 40 0.886 -1.072 -10.587 1.00 32.14 H new ATOM 0 HD2 PHE A 40 1.854 -0.806 -6.438 1.00 61.32 H new ATOM 0 HE1 PHE A 40 0.989 -3.517 -10.449 1.00 15.14 H new ATOM 0 HE2 PHE A 40 1.965 -3.251 -6.320 1.00 60.51 H new ATOM 0 HZ PHE A 40 1.536 -4.608 -8.318 1.00 63.42 H new ATOM 649 N PRO A 41 3.241 3.603 -10.224 1.00 71.43 N ATOM 650 CA PRO A 41 3.377 5.084 -10.223 1.00 13.02 C ATOM 651 C PRO A 41 2.049 5.793 -10.558 1.00 32.22 C ATOM 652 O PRO A 41 1.829 6.955 -10.181 1.00 44.12 O ATOM 653 CB PRO A 41 4.457 5.330 -11.310 1.00 14.22 C ATOM 654 CG PRO A 41 4.306 4.181 -12.270 1.00 52.31 C ATOM 655 CD PRO A 41 3.937 2.989 -11.409 1.00 50.15 C ATOM 0 HA PRO A 41 3.650 5.485 -9.247 1.00 13.02 H new ATOM 0 HB2 PRO A 41 4.304 6.286 -11.810 1.00 14.22 H new ATOM 0 HB3 PRO A 41 5.457 5.354 -10.876 1.00 14.22 H new ATOM 0 HG2 PRO A 41 3.533 4.386 -13.011 1.00 52.31 H new ATOM 0 HG3 PRO A 41 5.232 4.000 -12.817 1.00 52.31 H new ATOM 0 HD2 PRO A 41 3.284 2.297 -11.942 1.00 50.15 H new ATOM 0 HD3 PRO A 41 4.820 2.426 -11.107 1.00 50.15 H new ATOM 663 N THR A 42 1.179 5.070 -11.278 1.00 31.02 N ATOM 664 CA THR A 42 -0.143 5.542 -11.698 1.00 52.14 C ATOM 665 C THR A 42 -1.217 4.518 -11.268 1.00 14.10 C ATOM 666 O THR A 42 -0.912 3.320 -11.137 1.00 70.21 O ATOM 667 CB THR A 42 -0.196 5.738 -13.253 1.00 74.12 C ATOM 668 OG1 THR A 42 0.160 4.508 -13.914 1.00 43.43 O ATOM 669 CG2 THR A 42 0.733 6.871 -13.735 1.00 4.42 C ATOM 0 H THR A 42 1.382 4.120 -11.590 1.00 31.02 H new ATOM 0 HA THR A 42 -0.337 6.503 -11.221 1.00 52.14 H new ATOM 0 HB THR A 42 -1.218 6.020 -13.508 1.00 74.12 H new ATOM 0 HG1 THR A 42 0.123 4.636 -14.885 1.00 43.43 H new ATOM 0 HG21 THR A 42 0.659 6.966 -14.818 1.00 4.42 H new ATOM 0 HG22 THR A 42 0.435 7.809 -13.267 1.00 4.42 H new ATOM 0 HG23 THR A 42 1.762 6.639 -13.460 1.00 4.42 H new ATOM 677 N PRO A 43 -2.488 4.973 -11.009 1.00 72.41 N ATOM 678 CA PRO A 43 -3.644 4.062 -10.797 1.00 1.31 C ATOM 679 C PRO A 43 -3.896 3.136 -12.006 1.00 40.23 C ATOM 680 O PRO A 43 -4.424 2.032 -11.841 1.00 73.42 O ATOM 681 CB PRO A 43 -4.842 5.026 -10.536 1.00 24.22 C ATOM 682 CG PRO A 43 -4.384 6.373 -11.028 1.00 32.20 C ATOM 683 CD PRO A 43 -2.884 6.397 -10.818 1.00 5.53 C ATOM 0 HA PRO A 43 -3.476 3.373 -9.969 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -5.735 4.696 -11.067 1.00 24.22 H new ATOM 0 HB3 PRO A 43 -5.096 5.060 -9.476 1.00 24.22 H new ATOM 0 HG2 PRO A 43 -4.634 6.512 -12.080 1.00 32.20 H new ATOM 0 HG3 PRO A 43 -4.870 7.178 -10.476 1.00 32.20 H new ATOM 0 HD2 PRO A 43 -2.388 7.052 -11.534 1.00 5.53 H new ATOM 0 HD3 PRO A 43 -2.623 6.757 -9.823 1.00 5.53 H new ATOM 691 N ALA A 44 -3.475 3.583 -13.206 1.00 72.13 N ATOM 692 CA ALA A 44 -3.562 2.790 -14.450 1.00 74.32 C ATOM 693 C ALA A 44 -2.633 1.560 -14.390 1.00 44.23 C ATOM 694 O ALA A 44 -2.983 0.484 -14.890 1.00 1.33 O ATOM 695 CB ALA A 44 -3.220 3.671 -15.667 1.00 73.21 C ATOM 0 H ALA A 44 -3.064 4.507 -13.341 1.00 72.13 H new ATOM 0 HA ALA A 44 -4.585 2.430 -14.555 1.00 74.32 H new ATOM 0 HB1 ALA A 44 -3.287 3.076 -16.578 1.00 73.21 H new ATOM 0 HB2 ALA A 44 -3.923 4.502 -15.724 1.00 73.21 H new ATOM 0 HB3 ALA A 44 -2.207 4.059 -15.562 1.00 73.21 H new ATOM 701 N ALA A 45 -1.458 1.728 -13.752 1.00 60.22 N ATOM 702 CA ALA A 45 -0.441 0.669 -13.612 1.00 14.40 C ATOM 703 C ALA A 45 -0.878 -0.445 -12.637 1.00 21.03 C ATOM 704 O ALA A 45 -0.362 -1.575 -12.697 1.00 15.44 O ATOM 705 CB ALA A 45 0.881 1.296 -13.139 1.00 34.22 C ATOM 0 H ALA A 45 -1.187 2.609 -13.316 1.00 60.22 H new ATOM 0 HA ALA A 45 -0.310 0.202 -14.588 1.00 14.40 H new ATOM 0 HB1 ALA A 45 1.636 0.517 -13.034 1.00 34.22 H new ATOM 0 HB2 ALA A 45 1.217 2.031 -13.870 1.00 34.22 H new ATOM 0 HB3 ALA A 45 0.728 1.785 -12.177 1.00 34.22 H new ATOM 711 N ALA A 46 -1.838 -0.114 -11.761 1.00 45.42 N ATOM 712 CA ALA A 46 -2.252 -0.966 -10.633 1.00 64.41 C ATOM 713 C ALA A 46 -3.031 -2.237 -11.034 1.00 0.22 C ATOM 714 O ALA A 46 -3.320 -3.053 -10.159 1.00 14.55 O ATOM 715 CB ALA A 46 -3.071 -0.128 -9.648 1.00 43.53 C ATOM 0 H ALA A 46 -2.356 0.763 -11.815 1.00 45.42 H new ATOM 0 HA ALA A 46 -1.335 -1.332 -10.171 1.00 64.41 H new ATOM 0 HB1 ALA A 46 -3.381 -0.752 -8.810 1.00 43.53 H new ATOM 0 HB2 ALA A 46 -2.463 0.698 -9.280 1.00 43.53 H new ATOM 0 HB3 ALA A 46 -3.953 0.267 -10.152 1.00 43.53 H new ATOM 721 N PHE A 47 -3.355 -2.410 -12.337 1.00 74.51 N ATOM 722 CA PHE A 47 -4.128 -3.585 -12.840 1.00 32.54 C ATOM 723 C PHE A 47 -3.443 -4.932 -12.479 1.00 21.51 C ATOM 724 O PHE A 47 -4.113 -5.958 -12.296 1.00 72.05 O ATOM 725 CB PHE A 47 -4.351 -3.483 -14.379 1.00 62.01 C ATOM 726 CG PHE A 47 -3.085 -3.658 -15.234 1.00 34.13 C ATOM 727 CD1 PHE A 47 -2.164 -2.621 -15.369 1.00 61.41 C ATOM 728 CD2 PHE A 47 -2.827 -4.856 -15.910 1.00 31.21 C ATOM 729 CE1 PHE A 47 -1.031 -2.771 -16.141 1.00 0.13 C ATOM 730 CE2 PHE A 47 -1.692 -5.004 -16.679 1.00 23.53 C ATOM 731 CZ PHE A 47 -0.795 -3.960 -16.798 1.00 71.24 C ATOM 0 H PHE A 47 -3.094 -1.749 -13.069 1.00 74.51 H new ATOM 0 HA PHE A 47 -5.098 -3.567 -12.342 1.00 32.54 H new ATOM 0 HB2 PHE A 47 -5.079 -4.238 -14.676 1.00 62.01 H new ATOM 0 HB3 PHE A 47 -4.791 -2.511 -14.603 1.00 62.01 H new ATOM 0 HD1 PHE A 47 -2.340 -1.685 -14.861 1.00 61.41 H new ATOM 0 HD2 PHE A 47 -3.526 -5.675 -15.828 1.00 31.21 H new ATOM 0 HE1 PHE A 47 -0.328 -1.956 -16.231 1.00 0.13 H new ATOM 0 HE2 PHE A 47 -1.504 -5.937 -17.189 1.00 23.53 H new ATOM 0 HZ PHE A 47 0.091 -4.075 -17.405 1.00 71.24 H new ATOM 741 N ARG A 48 -2.104 -4.884 -12.358 1.00 42.52 N ATOM 742 CA ARG A 48 -1.254 -6.044 -12.037 1.00 23.35 C ATOM 743 C ARG A 48 -1.543 -6.639 -10.638 1.00 44.14 C ATOM 744 O ARG A 48 -1.198 -7.788 -10.380 1.00 15.50 O ATOM 745 CB ARG A 48 0.236 -5.628 -12.151 1.00 25.24 C ATOM 746 CG ARG A 48 0.743 -5.442 -13.598 1.00 40.42 C ATOM 747 CD ARG A 48 2.152 -4.821 -13.646 1.00 74.23 C ATOM 748 NE ARG A 48 2.120 -3.385 -13.303 1.00 13.24 N ATOM 749 CZ ARG A 48 3.089 -2.700 -12.678 1.00 60.33 C ATOM 750 NH1 ARG A 48 4.218 -3.286 -12.275 1.00 54.03 N ATOM 751 NH2 ARG A 48 2.926 -1.408 -12.487 1.00 1.12 N ATOM 0 H ARG A 48 -1.573 -4.022 -12.483 1.00 42.52 H new ATOM 0 HA ARG A 48 -1.485 -6.831 -12.755 1.00 23.35 H new ATOM 0 HB2 ARG A 48 0.382 -4.695 -11.606 1.00 25.24 H new ATOM 0 HB3 ARG A 48 0.849 -6.383 -11.659 1.00 25.24 H new ATOM 0 HG2 ARG A 48 0.756 -6.408 -14.103 1.00 40.42 H new ATOM 0 HG3 ARG A 48 0.048 -4.805 -14.145 1.00 40.42 H new ATOM 0 HD2 ARG A 48 2.807 -5.348 -12.952 1.00 74.23 H new ATOM 0 HD3 ARG A 48 2.574 -4.949 -14.643 1.00 74.23 H new ATOM 0 HE ARG A 48 1.283 -2.865 -13.566 1.00 13.24 H new ATOM 0 HH11 ARG A 48 4.363 -4.282 -12.440 1.00 54.03 H new ATOM 0 HH12 ARG A 48 4.937 -2.738 -11.802 1.00 54.03 H new ATOM 0 HH21 ARG A 48 2.076 -0.948 -12.812 1.00 1.12 H new ATOM 0 HH22 ARG A 48 3.650 -0.867 -12.014 1.00 1.12 H new ATOM 765 N SER A 49 -2.175 -5.856 -9.746 1.00 25.24 N ATOM 766 CA SER A 49 -2.482 -6.296 -8.372 1.00 61.22 C ATOM 767 C SER A 49 -3.872 -5.794 -7.936 1.00 42.22 C ATOM 768 O SER A 49 -4.190 -4.619 -8.148 1.00 55.11 O ATOM 769 CB SER A 49 -1.404 -5.788 -7.394 1.00 45.34 C ATOM 770 OG SER A 49 -1.793 -5.988 -6.044 1.00 14.23 O ATOM 0 H SER A 49 -2.486 -4.907 -9.954 1.00 25.24 H new ATOM 0 HA SER A 49 -2.488 -7.386 -8.356 1.00 61.22 H new ATOM 0 HB2 SER A 49 -0.465 -6.307 -7.584 1.00 45.34 H new ATOM 0 HB3 SER A 49 -1.223 -4.727 -7.569 1.00 45.34 H new ATOM 0 HG SER A 49 -1.357 -5.320 -5.475 1.00 14.23 H new ATOM 776 N PRO A 50 -4.723 -6.673 -7.309 1.00 21.52 N ATOM 777 CA PRO A 50 -6.050 -6.269 -6.792 1.00 30.44 C ATOM 778 C PRO A 50 -5.929 -5.276 -5.626 1.00 61.01 C ATOM 779 O PRO A 50 -6.643 -4.269 -5.586 1.00 40.13 O ATOM 780 CB PRO A 50 -6.708 -7.609 -6.348 1.00 50.12 C ATOM 781 CG PRO A 50 -5.857 -8.694 -6.946 1.00 3.41 C ATOM 782 CD PRO A 50 -4.463 -8.116 -7.049 1.00 35.23 C ATOM 0 HA PRO A 50 -6.645 -5.745 -7.540 1.00 30.44 H new ATOM 0 HB2 PRO A 50 -6.739 -7.689 -5.261 1.00 50.12 H new ATOM 0 HB3 PRO A 50 -7.737 -7.677 -6.702 1.00 50.12 H new ATOM 0 HG2 PRO A 50 -5.865 -9.586 -6.320 1.00 3.41 H new ATOM 0 HG3 PRO A 50 -6.231 -8.989 -7.926 1.00 3.41 H new ATOM 0 HD2 PRO A 50 -3.894 -8.266 -6.131 1.00 35.23 H new ATOM 0 HD3 PRO A 50 -3.893 -8.576 -7.856 1.00 35.23 H new ATOM 790 N LEU A 51 -4.968 -5.551 -4.712 1.00 72.33 N ATOM 791 CA LEU A 51 -4.762 -4.742 -3.501 1.00 44.44 C ATOM 792 C LEU A 51 -4.257 -3.343 -3.869 1.00 41.50 C ATOM 793 O LEU A 51 -4.658 -2.368 -3.242 1.00 22.04 O ATOM 794 CB LEU A 51 -3.771 -5.426 -2.524 1.00 35.45 C ATOM 795 CG LEU A 51 -3.540 -4.692 -1.153 1.00 2.34 C ATOM 796 CD1 LEU A 51 -4.865 -4.500 -0.378 1.00 33.51 C ATOM 797 CD2 LEU A 51 -2.500 -5.432 -0.299 1.00 34.24 C ATOM 0 H LEU A 51 -4.322 -6.335 -4.798 1.00 72.33 H new ATOM 0 HA LEU A 51 -5.724 -4.651 -2.998 1.00 44.44 H new ATOM 0 HB2 LEU A 51 -4.132 -6.434 -2.318 1.00 35.45 H new ATOM 0 HB3 LEU A 51 -2.809 -5.528 -3.026 1.00 35.45 H new ATOM 0 HG LEU A 51 -3.147 -3.700 -1.376 1.00 2.34 H new ATOM 0 HD11 LEU A 51 -4.665 -3.989 0.564 1.00 33.51 H new ATOM 0 HD12 LEU A 51 -5.553 -3.902 -0.976 1.00 33.51 H new ATOM 0 HD13 LEU A 51 -5.312 -5.473 -0.175 1.00 33.51 H new ATOM 0 HD21 LEU A 51 -2.360 -4.903 0.643 1.00 34.24 H new ATOM 0 HD22 LEU A 51 -2.849 -6.445 -0.098 1.00 34.24 H new ATOM 0 HD23 LEU A 51 -1.552 -5.474 -0.836 1.00 34.24 H new ATOM 809 N ALA A 52 -3.387 -3.265 -4.903 1.00 31.34 N ATOM 810 CA ALA A 52 -2.859 -1.985 -5.413 1.00 64.11 C ATOM 811 C ALA A 52 -4.011 -1.056 -5.807 1.00 14.24 C ATOM 812 O ALA A 52 -4.088 0.082 -5.337 1.00 74.24 O ATOM 813 CB ALA A 52 -1.926 -2.225 -6.605 1.00 5.22 C ATOM 0 H ALA A 52 -3.036 -4.083 -5.401 1.00 31.34 H new ATOM 0 HA ALA A 52 -2.283 -1.506 -4.621 1.00 64.11 H new ATOM 0 HB1 ALA A 52 -1.546 -1.270 -6.968 1.00 5.22 H new ATOM 0 HB2 ALA A 52 -1.091 -2.853 -6.293 1.00 5.22 H new ATOM 0 HB3 ALA A 52 -2.476 -2.723 -7.403 1.00 5.22 H new ATOM 819 N ARG A 53 -4.929 -1.601 -6.630 1.00 42.20 N ATOM 820 CA ARG A 53 -6.138 -0.897 -7.091 1.00 51.42 C ATOM 821 C ARG A 53 -7.019 -0.432 -5.910 1.00 10.14 C ATOM 822 O ARG A 53 -7.529 0.695 -5.923 1.00 4.33 O ATOM 823 CB ARG A 53 -6.945 -1.814 -8.058 1.00 45.03 C ATOM 824 CG ARG A 53 -6.368 -1.900 -9.491 1.00 11.25 C ATOM 825 CD ARG A 53 -7.018 -2.996 -10.364 1.00 32.21 C ATOM 826 NE ARG A 53 -6.437 -4.330 -10.110 1.00 33.32 N ATOM 827 CZ ARG A 53 -7.045 -5.509 -10.351 1.00 51.41 C ATOM 828 NH1 ARG A 53 -8.281 -5.552 -10.846 1.00 14.33 N ATOM 829 NH2 ARG A 53 -6.392 -6.633 -10.133 1.00 41.40 N ATOM 0 H ARG A 53 -4.850 -2.550 -6.995 1.00 42.20 H new ATOM 0 HA ARG A 53 -5.825 -0.000 -7.626 1.00 51.42 H new ATOM 0 HB2 ARG A 53 -6.987 -2.818 -7.636 1.00 45.03 H new ATOM 0 HB3 ARG A 53 -7.970 -1.449 -8.114 1.00 45.03 H new ATOM 0 HG2 ARG A 53 -6.496 -0.935 -9.982 1.00 11.25 H new ATOM 0 HG3 ARG A 53 -5.296 -2.087 -9.430 1.00 11.25 H new ATOM 0 HD2 ARG A 53 -8.090 -3.025 -10.169 1.00 32.21 H new ATOM 0 HD3 ARG A 53 -6.893 -2.742 -11.416 1.00 32.21 H new ATOM 0 HE ARG A 53 -5.495 -4.362 -9.719 1.00 33.32 H new ATOM 0 HH11 ARG A 53 -8.780 -4.686 -11.048 1.00 14.33 H new ATOM 0 HH12 ARG A 53 -8.728 -6.451 -11.023 1.00 14.33 H new ATOM 0 HH21 ARG A 53 -5.434 -6.607 -9.784 1.00 41.40 H new ATOM 0 HH22 ARG A 53 -6.845 -7.529 -10.313 1.00 41.40 H new ATOM 843 N GLN A 54 -7.164 -1.305 -4.891 1.00 44.12 N ATOM 844 CA GLN A 54 -7.994 -1.030 -3.696 1.00 71.24 C ATOM 845 C GLN A 54 -7.378 0.100 -2.839 1.00 22.34 C ATOM 846 O GLN A 54 -8.108 0.884 -2.221 1.00 52.25 O ATOM 847 CB GLN A 54 -8.162 -2.323 -2.850 1.00 12.21 C ATOM 848 CG GLN A 54 -8.980 -3.432 -3.535 1.00 61.14 C ATOM 849 CD GLN A 54 -9.031 -4.725 -2.719 1.00 41.14 C ATOM 850 OE1 GLN A 54 -8.190 -5.605 -2.880 1.00 72.43 O ATOM 851 NE2 GLN A 54 -10.005 -4.841 -1.822 1.00 70.33 N ATOM 0 H GLN A 54 -6.711 -2.219 -4.872 1.00 44.12 H new ATOM 0 HA GLN A 54 -8.976 -0.699 -4.033 1.00 71.24 H new ATOM 0 HB2 GLN A 54 -7.174 -2.715 -2.608 1.00 12.21 H new ATOM 0 HB3 GLN A 54 -8.643 -2.065 -1.906 1.00 12.21 H new ATOM 0 HG2 GLN A 54 -9.996 -3.075 -3.705 1.00 61.14 H new ATOM 0 HG3 GLN A 54 -8.549 -3.643 -4.514 1.00 61.14 H new ATOM 0 HE21 GLN A 54 -10.689 -4.092 -1.712 1.00 70.33 H new ATOM 0 HE22 GLN A 54 -10.069 -5.679 -1.244 1.00 70.33 H new ATOM 860 N LEU A 55 -6.030 0.160 -2.812 1.00 33.24 N ATOM 861 CA LEU A 55 -5.283 1.212 -2.092 1.00 23.53 C ATOM 862 C LEU A 55 -5.449 2.569 -2.808 1.00 4.04 C ATOM 863 O LEU A 55 -5.607 3.591 -2.150 1.00 10.21 O ATOM 864 CB LEU A 55 -3.781 0.832 -1.928 1.00 34.52 C ATOM 865 CG LEU A 55 -3.488 -0.421 -1.034 1.00 32.32 C ATOM 866 CD1 LEU A 55 -1.984 -0.753 -0.997 1.00 12.13 C ATOM 867 CD2 LEU A 55 -4.059 -0.249 0.394 1.00 15.43 C ATOM 0 H LEU A 55 -5.432 -0.516 -3.286 1.00 33.24 H new ATOM 0 HA LEU A 55 -5.699 1.303 -1.089 1.00 23.53 H new ATOM 0 HB2 LEU A 55 -3.360 0.655 -2.918 1.00 34.52 H new ATOM 0 HB3 LEU A 55 -3.253 1.687 -1.506 1.00 34.52 H new ATOM 0 HG LEU A 55 -4.000 -1.268 -1.492 1.00 32.32 H new ATOM 0 HD11 LEU A 55 -1.820 -1.627 -0.367 1.00 12.13 H new ATOM 0 HD12 LEU A 55 -1.633 -0.962 -2.007 1.00 12.13 H new ATOM 0 HD13 LEU A 55 -1.434 0.095 -0.590 1.00 12.13 H new ATOM 0 HD21 LEU A 55 -3.836 -1.138 0.984 1.00 15.43 H new ATOM 0 HD22 LEU A 55 -3.605 0.623 0.865 1.00 15.43 H new ATOM 0 HD23 LEU A 55 -5.139 -0.111 0.340 1.00 15.43 H new ATOM 879 N PHE A 56 -5.455 2.558 -4.163 1.00 22.51 N ATOM 880 CA PHE A 56 -5.693 3.776 -4.984 1.00 1.11 C ATOM 881 C PHE A 56 -7.136 4.312 -4.827 1.00 41.44 C ATOM 882 O PHE A 56 -7.392 5.491 -5.103 1.00 21.01 O ATOM 883 CB PHE A 56 -5.393 3.517 -6.488 1.00 11.03 C ATOM 884 CG PHE A 56 -3.912 3.549 -6.863 1.00 63.03 C ATOM 885 CD1 PHE A 56 -3.250 4.765 -7.018 1.00 71.33 C ATOM 886 CD2 PHE A 56 -3.190 2.382 -7.084 1.00 43.42 C ATOM 887 CE1 PHE A 56 -1.923 4.802 -7.383 1.00 11.31 C ATOM 888 CE2 PHE A 56 -1.861 2.424 -7.442 1.00 3.03 C ATOM 889 CZ PHE A 56 -1.228 3.633 -7.592 1.00 34.33 C ATOM 0 H PHE A 56 -5.297 1.715 -4.715 1.00 22.51 H new ATOM 0 HA PHE A 56 -5.005 4.534 -4.611 1.00 1.11 H new ATOM 0 HB2 PHE A 56 -5.802 2.545 -6.763 1.00 11.03 H new ATOM 0 HB3 PHE A 56 -5.920 4.264 -7.082 1.00 11.03 H new ATOM 0 HD1 PHE A 56 -3.784 5.689 -6.850 1.00 71.33 H new ATOM 0 HD2 PHE A 56 -3.680 1.426 -6.973 1.00 43.42 H new ATOM 0 HE1 PHE A 56 -1.425 5.753 -7.506 1.00 11.31 H new ATOM 0 HE2 PHE A 56 -1.316 1.506 -7.605 1.00 3.03 H new ATOM 0 HZ PHE A 56 -0.186 3.666 -7.874 1.00 34.33 H new ATOM 899 N ARG A 57 -8.074 3.442 -4.400 1.00 62.34 N ATOM 900 CA ARG A 57 -9.476 3.835 -4.137 1.00 74.24 C ATOM 901 C ARG A 57 -9.601 4.661 -2.843 1.00 44.04 C ATOM 902 O ARG A 57 -10.615 5.344 -2.641 1.00 10.33 O ATOM 903 CB ARG A 57 -10.392 2.595 -4.053 1.00 34.41 C ATOM 904 CG ARG A 57 -10.545 1.841 -5.383 1.00 34.23 C ATOM 905 CD ARG A 57 -11.520 0.664 -5.278 1.00 31.14 C ATOM 906 NE ARG A 57 -12.885 1.090 -4.912 1.00 41.01 N ATOM 907 CZ ARG A 57 -13.984 0.325 -5.024 1.00 14.23 C ATOM 908 NH1 ARG A 57 -13.905 -0.916 -5.497 1.00 5.51 N ATOM 909 NH2 ARG A 57 -15.162 0.803 -4.650 1.00 35.14 N ATOM 0 H ARG A 57 -7.885 2.455 -4.228 1.00 62.34 H new ATOM 0 HA ARG A 57 -9.795 4.457 -4.974 1.00 74.24 H new ATOM 0 HB2 ARG A 57 -9.993 1.912 -3.303 1.00 34.41 H new ATOM 0 HB3 ARG A 57 -11.378 2.907 -3.708 1.00 34.41 H new ATOM 0 HG2 ARG A 57 -10.894 2.531 -6.151 1.00 34.23 H new ATOM 0 HG3 ARG A 57 -9.570 1.474 -5.704 1.00 34.23 H new ATOM 0 HD2 ARG A 57 -11.551 0.136 -6.231 1.00 31.14 H new ATOM 0 HD3 ARG A 57 -11.152 -0.043 -4.534 1.00 31.14 H new ATOM 0 HE ARG A 57 -13.003 2.035 -4.547 1.00 41.01 H new ATOM 0 HH11 ARG A 57 -13.002 -1.297 -5.780 1.00 5.51 H new ATOM 0 HH12 ARG A 57 -14.747 -1.486 -5.577 1.00 5.51 H new ATOM 0 HH21 ARG A 57 -15.233 1.750 -4.278 1.00 35.14 H new ATOM 0 HH22 ARG A 57 -15.997 0.224 -4.734 1.00 35.14 H new ATOM 923 N ILE A 58 -8.567 4.604 -1.988 1.00 11.42 N ATOM 924 CA ILE A 58 -8.542 5.333 -0.713 1.00 14.24 C ATOM 925 C ILE A 58 -8.250 6.816 -1.001 1.00 65.33 C ATOM 926 O ILE A 58 -7.248 7.136 -1.659 1.00 23.00 O ATOM 927 CB ILE A 58 -7.469 4.725 0.266 1.00 21.21 C ATOM 928 CG1 ILE A 58 -7.787 3.214 0.521 1.00 4.41 C ATOM 929 CG2 ILE A 58 -7.380 5.523 1.597 1.00 13.22 C ATOM 930 CD1 ILE A 58 -6.804 2.492 1.423 1.00 72.12 C ATOM 0 H ILE A 58 -7.727 4.052 -2.162 1.00 11.42 H new ATOM 0 HA ILE A 58 -9.511 5.241 -0.222 1.00 14.24 H new ATOM 0 HB ILE A 58 -6.489 4.803 -0.205 1.00 21.21 H new ATOM 0 HG12 ILE A 58 -8.782 3.137 0.959 1.00 4.41 H new ATOM 0 HG13 ILE A 58 -7.821 2.699 -0.439 1.00 4.41 H new ATOM 0 HG21 ILE A 58 -6.628 5.070 2.243 1.00 13.22 H new ATOM 0 HG22 ILE A 58 -7.101 6.555 1.384 1.00 13.22 H new ATOM 0 HG23 ILE A 58 -8.348 5.504 2.098 1.00 13.22 H new ATOM 0 HD11 ILE A 58 -7.111 1.452 1.538 1.00 72.12 H new ATOM 0 HD12 ILE A 58 -5.809 2.530 0.980 1.00 72.12 H new ATOM 0 HD13 ILE A 58 -6.785 2.975 2.400 1.00 72.12 H new ATOM 942 N GLU A 59 -9.163 7.699 -0.543 1.00 54.23 N ATOM 943 CA GLU A 59 -9.090 9.148 -0.791 1.00 42.31 C ATOM 944 C GLU A 59 -7.825 9.734 -0.139 1.00 33.12 C ATOM 945 O GLU A 59 -7.774 9.939 1.084 1.00 55.31 O ATOM 946 CB GLU A 59 -10.360 9.862 -0.255 1.00 51.43 C ATOM 947 CG GLU A 59 -11.687 9.333 -0.836 1.00 54.35 C ATOM 948 CD GLU A 59 -12.905 10.123 -0.331 1.00 60.31 C ATOM 949 OE1 GLU A 59 -13.257 9.988 0.861 1.00 42.21 O ATOM 950 OE2 GLU A 59 -13.490 10.913 -1.105 1.00 31.21 O ATOM 0 H GLU A 59 -9.973 7.422 0.011 1.00 54.23 H new ATOM 0 HA GLU A 59 -9.037 9.313 -1.867 1.00 42.31 H new ATOM 0 HB2 GLU A 59 -10.387 9.760 0.830 1.00 51.43 H new ATOM 0 HB3 GLU A 59 -10.282 10.927 -0.474 1.00 51.43 H new ATOM 0 HG2 GLU A 59 -11.650 9.384 -1.924 1.00 54.35 H new ATOM 0 HG3 GLU A 59 -11.803 8.282 -0.570 1.00 54.35 H new ATOM 957 N GLY A 60 -6.788 9.928 -0.963 1.00 5.14 N ATOM 958 CA GLY A 60 -5.521 10.475 -0.507 1.00 75.53 C ATOM 959 C GLY A 60 -4.321 9.806 -1.145 1.00 43.52 C ATOM 960 O GLY A 60 -3.272 10.423 -1.262 1.00 45.22 O ATOM 0 H GLY A 60 -6.811 9.709 -1.959 1.00 5.14 H new ATOM 0 HA2 GLY A 60 -5.493 11.542 -0.726 1.00 75.53 H new ATOM 0 HA3 GLY A 60 -5.455 10.370 0.576 1.00 75.53 H new ATOM 964 N VAL A 61 -4.471 8.538 -1.545 1.00 4.20 N ATOM 965 CA VAL A 61 -3.372 7.740 -2.110 1.00 22.40 C ATOM 966 C VAL A 61 -3.078 8.176 -3.564 1.00 64.34 C ATOM 967 O VAL A 61 -3.913 8.019 -4.461 1.00 34.25 O ATOM 968 CB VAL A 61 -3.696 6.205 -2.033 1.00 4.42 C ATOM 969 CG1 VAL A 61 -2.652 5.346 -2.787 1.00 25.11 C ATOM 970 CG2 VAL A 61 -3.830 5.748 -0.551 1.00 42.32 C ATOM 0 H VAL A 61 -5.356 8.035 -1.487 1.00 4.20 H new ATOM 0 HA VAL A 61 -2.477 7.919 -1.515 1.00 22.40 H new ATOM 0 HB VAL A 61 -4.652 6.050 -2.533 1.00 4.42 H new ATOM 0 HG11 VAL A 61 -2.920 4.293 -2.705 1.00 25.11 H new ATOM 0 HG12 VAL A 61 -2.634 5.635 -3.838 1.00 25.11 H new ATOM 0 HG13 VAL A 61 -1.666 5.505 -2.350 1.00 25.11 H new ATOM 0 HG21 VAL A 61 -4.055 4.682 -0.518 1.00 42.32 H new ATOM 0 HG22 VAL A 61 -2.894 5.938 -0.026 1.00 42.32 H new ATOM 0 HG23 VAL A 61 -4.635 6.303 -0.070 1.00 42.32 H new ATOM 980 N LYS A 62 -1.872 8.737 -3.760 1.00 12.05 N ATOM 981 CA LYS A 62 -1.400 9.220 -5.066 1.00 12.12 C ATOM 982 C LYS A 62 -0.751 8.077 -5.864 1.00 12.53 C ATOM 983 O LYS A 62 -1.027 7.906 -7.060 1.00 52.33 O ATOM 984 CB LYS A 62 -0.396 10.393 -4.873 1.00 3.52 C ATOM 985 CG LYS A 62 0.209 10.961 -6.182 1.00 62.03 C ATOM 986 CD LYS A 62 -0.864 11.489 -7.170 1.00 2.23 C ATOM 987 CE LYS A 62 -0.268 11.950 -8.503 1.00 31.04 C ATOM 988 NZ LYS A 62 -1.328 12.352 -9.463 1.00 70.44 N ATOM 0 H LYS A 62 -1.194 8.868 -3.010 1.00 12.05 H new ATOM 0 HA LYS A 62 -2.257 9.585 -5.632 1.00 12.12 H new ATOM 0 HB2 LYS A 62 -0.902 11.201 -4.344 1.00 3.52 H new ATOM 0 HB3 LYS A 62 0.418 10.053 -4.232 1.00 3.52 H new ATOM 0 HG2 LYS A 62 0.897 11.770 -5.936 1.00 62.03 H new ATOM 0 HG3 LYS A 62 0.794 10.183 -6.672 1.00 62.03 H new ATOM 0 HD2 LYS A 62 -1.597 10.704 -7.357 1.00 2.23 H new ATOM 0 HD3 LYS A 62 -1.398 12.320 -6.709 1.00 2.23 H new ATOM 0 HE2 LYS A 62 0.406 12.789 -8.331 1.00 31.04 H new ATOM 0 HE3 LYS A 62 0.328 11.146 -8.934 1.00 31.04 H new ATOM 0 HZ1 LYS A 62 -0.890 12.659 -10.355 1.00 70.44 H new ATOM 0 HZ2 LYS A 62 -1.956 11.543 -9.646 1.00 70.44 H new ATOM 0 HZ3 LYS A 62 -1.881 13.136 -9.061 1.00 70.44 H new ATOM 1002 N SER A 63 0.097 7.288 -5.184 1.00 41.35 N ATOM 1003 CA SER A 63 0.890 6.217 -5.807 1.00 20.32 C ATOM 1004 C SER A 63 1.185 5.126 -4.772 1.00 4.30 C ATOM 1005 O SER A 63 1.218 5.404 -3.567 1.00 73.23 O ATOM 1006 CB SER A 63 2.190 6.798 -6.402 1.00 63.32 C ATOM 1007 OG SER A 63 2.923 7.516 -5.425 1.00 71.34 O ATOM 0 H SER A 63 0.252 7.377 -4.180 1.00 41.35 H new ATOM 0 HA SER A 63 0.323 5.768 -6.623 1.00 20.32 H new ATOM 0 HB2 SER A 63 2.804 5.990 -6.800 1.00 63.32 H new ATOM 0 HB3 SER A 63 1.949 7.456 -7.237 1.00 63.32 H new ATOM 0 HG SER A 63 3.743 7.872 -5.827 1.00 71.34 H new ATOM 1013 N VAL A 64 1.361 3.877 -5.242 1.00 44.01 N ATOM 1014 CA VAL A 64 1.651 2.709 -4.377 1.00 51.23 C ATOM 1015 C VAL A 64 2.895 1.974 -4.906 1.00 51.30 C ATOM 1016 O VAL A 64 3.131 1.923 -6.105 1.00 71.12 O ATOM 1017 CB VAL A 64 0.434 1.699 -4.304 1.00 75.52 C ATOM 1018 CG1 VAL A 64 0.720 0.527 -3.333 1.00 4.34 C ATOM 1019 CG2 VAL A 64 -0.877 2.410 -3.908 1.00 3.04 C ATOM 0 H VAL A 64 1.307 3.645 -6.234 1.00 44.01 H new ATOM 0 HA VAL A 64 1.829 3.084 -3.369 1.00 51.23 H new ATOM 0 HB VAL A 64 0.310 1.290 -5.307 1.00 75.52 H new ATOM 0 HG11 VAL A 64 -0.138 -0.144 -3.310 1.00 4.34 H new ATOM 0 HG12 VAL A 64 1.600 -0.020 -3.672 1.00 4.34 H new ATOM 0 HG13 VAL A 64 0.900 0.919 -2.332 1.00 4.34 H new ATOM 0 HG21 VAL A 64 -1.688 1.683 -3.869 1.00 3.04 H new ATOM 0 HG22 VAL A 64 -0.758 2.874 -2.929 1.00 3.04 H new ATOM 0 HG23 VAL A 64 -1.112 3.177 -4.646 1.00 3.04 H new ATOM 1029 N PHE A 65 3.694 1.440 -3.985 1.00 22.04 N ATOM 1030 CA PHE A 65 4.870 0.603 -4.278 1.00 64.33 C ATOM 1031 C PHE A 65 4.781 -0.670 -3.427 1.00 33.10 C ATOM 1032 O PHE A 65 4.429 -0.611 -2.251 1.00 73.40 O ATOM 1033 CB PHE A 65 6.172 1.392 -3.963 1.00 5.15 C ATOM 1034 CG PHE A 65 7.483 0.642 -4.233 1.00 21.42 C ATOM 1035 CD1 PHE A 65 8.006 0.573 -5.523 1.00 22.04 C ATOM 1036 CD2 PHE A 65 8.197 0.023 -3.201 1.00 13.31 C ATOM 1037 CE1 PHE A 65 9.190 -0.091 -5.775 1.00 71.45 C ATOM 1038 CE2 PHE A 65 9.383 -0.640 -3.457 1.00 15.43 C ATOM 1039 CZ PHE A 65 9.879 -0.695 -4.744 1.00 5.51 C ATOM 0 H PHE A 65 3.543 1.577 -2.986 1.00 22.04 H new ATOM 0 HA PHE A 65 4.891 0.332 -5.333 1.00 64.33 H new ATOM 0 HB2 PHE A 65 6.171 2.309 -4.552 1.00 5.15 H new ATOM 0 HB3 PHE A 65 6.152 1.687 -2.914 1.00 5.15 H new ATOM 0 HD1 PHE A 65 7.477 1.046 -6.337 1.00 22.04 H new ATOM 0 HD2 PHE A 65 7.817 0.064 -2.191 1.00 13.31 H new ATOM 0 HE1 PHE A 65 9.578 -0.138 -6.782 1.00 71.45 H new ATOM 0 HE2 PHE A 65 9.921 -1.115 -2.650 1.00 15.43 H new ATOM 0 HZ PHE A 65 10.807 -1.211 -4.944 1.00 5.51 H new ATOM 1049 N PHE A 66 5.052 -1.819 -4.040 1.00 24.31 N ATOM 1050 CA PHE A 66 5.138 -3.114 -3.344 1.00 12.24 C ATOM 1051 C PHE A 66 6.619 -3.496 -3.216 1.00 35.33 C ATOM 1052 O PHE A 66 7.347 -3.521 -4.215 1.00 70.45 O ATOM 1053 CB PHE A 66 4.352 -4.201 -4.121 1.00 75.14 C ATOM 1054 CG PHE A 66 2.817 -4.126 -4.070 1.00 34.41 C ATOM 1055 CD1 PHE A 66 2.123 -2.994 -3.613 1.00 73.21 C ATOM 1056 CD2 PHE A 66 2.056 -5.219 -4.488 1.00 31.00 C ATOM 1057 CE1 PHE A 66 0.740 -2.970 -3.580 1.00 75.32 C ATOM 1058 CE2 PHE A 66 0.678 -5.186 -4.449 1.00 13.40 C ATOM 1059 CZ PHE A 66 0.020 -4.063 -3.997 1.00 2.34 C ATOM 0 H PHE A 66 5.221 -1.885 -5.044 1.00 24.31 H new ATOM 0 HA PHE A 66 4.693 -3.035 -2.352 1.00 12.24 H new ATOM 0 HB2 PHE A 66 4.658 -4.158 -5.166 1.00 75.14 H new ATOM 0 HB3 PHE A 66 4.656 -5.176 -3.740 1.00 75.14 H new ATOM 0 HD1 PHE A 66 2.678 -2.128 -3.282 1.00 73.21 H new ATOM 0 HD2 PHE A 66 2.555 -6.106 -4.848 1.00 31.00 H new ATOM 0 HE1 PHE A 66 0.225 -2.089 -3.225 1.00 75.32 H new ATOM 0 HE2 PHE A 66 0.111 -6.046 -4.775 1.00 13.40 H new ATOM 0 HZ PHE A 66 -1.059 -4.042 -3.971 1.00 2.34 H new ATOM 1069 N GLY A 67 7.045 -3.779 -1.981 1.00 32.23 N ATOM 1070 CA GLY A 67 8.442 -4.087 -1.663 1.00 22.22 C ATOM 1071 C GLY A 67 8.605 -5.432 -0.959 1.00 4.03 C ATOM 1072 O GLY A 67 7.598 -6.120 -0.701 1.00 5.43 O ATOM 0 H GLY A 67 6.427 -3.801 -1.170 1.00 32.23 H new ATOM 0 HA2 GLY A 67 9.027 -4.090 -2.583 1.00 22.22 H new ATOM 0 HA3 GLY A 67 8.848 -3.299 -1.029 1.00 22.22 H new ATOM 1076 N PRO A 68 9.879 -5.861 -0.667 1.00 24.41 N ATOM 1077 CA PRO A 68 10.158 -7.140 0.021 1.00 60.00 C ATOM 1078 C PRO A 68 9.557 -7.160 1.439 1.00 72.31 C ATOM 1079 O PRO A 68 9.990 -6.395 2.312 1.00 53.12 O ATOM 1080 CB PRO A 68 11.713 -7.228 0.036 1.00 75.45 C ATOM 1081 CG PRO A 68 12.185 -5.812 -0.145 1.00 43.52 C ATOM 1082 CD PRO A 68 11.137 -5.143 -1.013 1.00 60.25 C ATOM 0 HA PRO A 68 9.706 -7.996 -0.480 1.00 60.00 H new ATOM 0 HB2 PRO A 68 12.075 -7.648 0.974 1.00 75.45 H new ATOM 0 HB3 PRO A 68 12.080 -7.871 -0.764 1.00 75.45 H new ATOM 0 HG2 PRO A 68 12.281 -5.305 0.815 1.00 43.52 H new ATOM 0 HG3 PRO A 68 13.165 -5.783 -0.621 1.00 43.52 H new ATOM 0 HD2 PRO A 68 11.061 -4.077 -0.799 1.00 60.25 H new ATOM 0 HD3 PRO A 68 11.374 -5.239 -2.073 1.00 60.25 H new ATOM 1090 N ASP A 69 8.500 -7.993 1.616 1.00 31.00 N ATOM 1091 CA ASP A 69 7.821 -8.234 2.917 1.00 33.31 C ATOM 1092 C ASP A 69 7.068 -6.989 3.423 1.00 43.42 C ATOM 1093 O ASP A 69 6.586 -6.974 4.564 1.00 32.34 O ATOM 1094 CB ASP A 69 8.825 -8.719 4.014 1.00 24.14 C ATOM 1095 CG ASP A 69 9.525 -10.042 3.675 1.00 51.13 C ATOM 1096 OD1 ASP A 69 10.317 -10.080 2.710 1.00 5.14 O ATOM 1097 OD2 ASP A 69 9.306 -11.045 4.380 1.00 62.33 O ATOM 0 H ASP A 69 8.089 -8.524 0.848 1.00 31.00 H new ATOM 0 HA ASP A 69 7.092 -9.023 2.732 1.00 33.31 H new ATOM 0 HB2 ASP A 69 9.581 -7.948 4.167 1.00 24.14 H new ATOM 0 HB3 ASP A 69 8.290 -8.833 4.957 1.00 24.14 H new ATOM 1102 N SER A 70 6.936 -5.963 2.563 1.00 65.11 N ATOM 1103 CA SER A 70 6.437 -4.645 2.971 1.00 12.35 C ATOM 1104 C SER A 70 5.766 -3.913 1.800 1.00 30.43 C ATOM 1105 O SER A 70 5.810 -4.351 0.651 1.00 25.14 O ATOM 1106 CB SER A 70 7.603 -3.801 3.540 1.00 35.34 C ATOM 1107 OG SER A 70 8.647 -3.662 2.589 1.00 34.24 O ATOM 0 H SER A 70 7.172 -6.027 1.573 1.00 65.11 H new ATOM 0 HA SER A 70 5.683 -4.787 3.745 1.00 12.35 H new ATOM 0 HB2 SER A 70 7.236 -2.816 3.828 1.00 35.34 H new ATOM 0 HB3 SER A 70 7.990 -4.273 4.443 1.00 35.34 H new ATOM 0 HG SER A 70 9.113 -4.518 2.487 1.00 34.24 H new ATOM 1113 N ILE A 71 5.111 -2.808 2.148 1.00 13.44 N ATOM 1114 CA ILE A 71 4.435 -1.892 1.223 1.00 64.50 C ATOM 1115 C ILE A 71 5.045 -0.500 1.441 1.00 71.21 C ATOM 1116 O ILE A 71 5.608 -0.244 2.499 1.00 45.40 O ATOM 1117 CB ILE A 71 2.873 -1.851 1.504 1.00 72.04 C ATOM 1118 CG1 ILE A 71 2.339 -3.297 1.795 1.00 74.11 C ATOM 1119 CG2 ILE A 71 2.114 -1.197 0.317 1.00 23.22 C ATOM 1120 CD1 ILE A 71 0.864 -3.396 2.121 1.00 73.03 C ATOM 0 H ILE A 71 5.032 -2.511 3.121 1.00 13.44 H new ATOM 0 HA ILE A 71 4.571 -2.226 0.194 1.00 64.50 H new ATOM 0 HB ILE A 71 2.692 -1.236 2.386 1.00 72.04 H new ATOM 0 HG12 ILE A 71 2.543 -3.922 0.926 1.00 74.11 H new ATOM 0 HG13 ILE A 71 2.906 -3.714 2.628 1.00 74.11 H new ATOM 0 HG21 ILE A 71 1.046 -1.180 0.533 1.00 23.22 H new ATOM 0 HG22 ILE A 71 2.471 -0.177 0.174 1.00 23.22 H new ATOM 0 HG23 ILE A 71 2.292 -1.774 -0.591 1.00 23.22 H new ATOM 0 HD11 ILE A 71 0.601 -4.438 2.305 1.00 73.03 H new ATOM 0 HD12 ILE A 71 0.648 -2.805 3.011 1.00 73.03 H new ATOM 0 HD13 ILE A 71 0.280 -3.017 1.283 1.00 73.03 H new ATOM 1132 N THR A 72 4.996 0.360 0.437 1.00 64.21 N ATOM 1133 CA THR A 72 5.328 1.785 0.576 1.00 13.04 C ATOM 1134 C THR A 72 4.317 2.584 -0.245 1.00 11.41 C ATOM 1135 O THR A 72 4.316 2.508 -1.467 1.00 34.33 O ATOM 1136 CB THR A 72 6.795 2.102 0.114 1.00 52.52 C ATOM 1137 OG1 THR A 72 7.731 1.291 0.852 1.00 32.41 O ATOM 1138 CG2 THR A 72 7.154 3.595 0.312 1.00 2.25 C ATOM 0 H THR A 72 4.723 0.095 -0.509 1.00 64.21 H new ATOM 0 HA THR A 72 5.275 2.063 1.629 1.00 13.04 H new ATOM 0 HB THR A 72 6.855 1.874 -0.950 1.00 52.52 H new ATOM 0 HG1 THR A 72 8.643 1.494 0.557 1.00 32.41 H new ATOM 0 HG21 THR A 72 8.177 3.770 -0.020 1.00 2.25 H new ATOM 0 HG22 THR A 72 6.472 4.214 -0.271 1.00 2.25 H new ATOM 0 HG23 THR A 72 7.066 3.854 1.367 1.00 2.25 H new ATOM 1146 N VAL A 73 3.446 3.334 0.430 1.00 32.34 N ATOM 1147 CA VAL A 73 2.380 4.118 -0.210 1.00 13.40 C ATOM 1148 C VAL A 73 2.726 5.603 -0.060 1.00 21.33 C ATOM 1149 O VAL A 73 3.215 6.011 0.989 1.00 12.35 O ATOM 1150 CB VAL A 73 0.971 3.814 0.438 1.00 1.51 C ATOM 1151 CG1 VAL A 73 -0.152 4.686 -0.172 1.00 52.12 C ATOM 1152 CG2 VAL A 73 0.621 2.308 0.322 1.00 2.51 C ATOM 0 H VAL A 73 3.457 3.418 1.446 1.00 32.34 H new ATOM 0 HA VAL A 73 2.314 3.846 -1.263 1.00 13.40 H new ATOM 0 HB VAL A 73 1.043 4.073 1.494 1.00 1.51 H new ATOM 0 HG11 VAL A 73 -1.102 4.442 0.304 1.00 52.12 H new ATOM 0 HG12 VAL A 73 0.076 5.739 -0.008 1.00 52.12 H new ATOM 0 HG13 VAL A 73 -0.223 4.492 -1.242 1.00 52.12 H new ATOM 0 HG21 VAL A 73 -0.353 2.125 0.775 1.00 2.51 H new ATOM 0 HG22 VAL A 73 0.592 2.021 -0.729 1.00 2.51 H new ATOM 0 HG23 VAL A 73 1.378 1.718 0.838 1.00 2.51 H new ATOM 1162 N THR A 74 2.510 6.389 -1.121 1.00 43.14 N ATOM 1163 CA THR A 74 2.665 7.847 -1.089 1.00 73.34 C ATOM 1164 C THR A 74 1.283 8.503 -1.227 1.00 63.21 C ATOM 1165 O THR A 74 0.497 8.127 -2.107 1.00 4.33 O ATOM 1166 CB THR A 74 3.609 8.341 -2.231 1.00 33.13 C ATOM 1167 OG1 THR A 74 4.836 7.600 -2.187 1.00 61.43 O ATOM 1168 CG2 THR A 74 3.923 9.852 -2.106 1.00 35.13 C ATOM 0 H THR A 74 2.221 6.029 -2.031 1.00 43.14 H new ATOM 0 HA THR A 74 3.117 8.130 -0.138 1.00 73.34 H new ATOM 0 HB THR A 74 3.098 8.180 -3.180 1.00 33.13 H new ATOM 0 HG1 THR A 74 5.429 7.907 -2.904 1.00 61.43 H new ATOM 0 HG21 THR A 74 4.582 10.155 -2.919 1.00 35.13 H new ATOM 0 HG22 THR A 74 2.995 10.422 -2.159 1.00 35.13 H new ATOM 0 HG23 THR A 74 4.413 10.044 -1.151 1.00 35.13 H new ATOM 1176 N LYS A 75 0.996 9.473 -0.349 1.00 30.12 N ATOM 1177 CA LYS A 75 -0.249 10.264 -0.400 1.00 22.44 C ATOM 1178 C LYS A 75 -0.032 11.495 -1.306 1.00 71.24 C ATOM 1179 O LYS A 75 1.099 11.761 -1.736 1.00 24.35 O ATOM 1180 CB LYS A 75 -0.705 10.655 1.038 1.00 44.41 C ATOM 1181 CG LYS A 75 0.358 11.398 1.858 1.00 70.31 C ATOM 1182 CD LYS A 75 -0.013 11.569 3.344 1.00 44.01 C ATOM 1183 CE LYS A 75 1.149 12.141 4.184 1.00 2.52 C ATOM 1184 NZ LYS A 75 1.521 13.520 3.779 1.00 41.32 N ATOM 0 H LYS A 75 1.617 9.734 0.417 1.00 30.12 H new ATOM 0 HA LYS A 75 -1.053 9.668 -0.831 1.00 22.44 H new ATOM 0 HB2 LYS A 75 -1.595 11.281 0.967 1.00 44.41 H new ATOM 0 HB3 LYS A 75 -0.993 9.750 1.574 1.00 44.41 H new ATOM 0 HG2 LYS A 75 1.302 10.857 1.788 1.00 70.31 H new ATOM 0 HG3 LYS A 75 0.521 12.382 1.418 1.00 70.31 H new ATOM 0 HD2 LYS A 75 -0.875 12.231 3.426 1.00 44.01 H new ATOM 0 HD3 LYS A 75 -0.312 10.604 3.753 1.00 44.01 H new ATOM 0 HE2 LYS A 75 0.867 12.139 5.237 1.00 2.52 H new ATOM 0 HE3 LYS A 75 2.018 11.490 4.086 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 2.294 13.863 4.385 1.00 41.32 H new ATOM 0 HZ2 LYS A 75 1.833 13.518 2.787 1.00 41.32 H new ATOM 0 HZ3 LYS A 75 0.697 14.146 3.881 1.00 41.32 H new ATOM 1198 N GLU A 76 -1.138 12.208 -1.610 1.00 41.12 N ATOM 1199 CA GLU A 76 -1.161 13.355 -2.545 1.00 52.33 C ATOM 1200 C GLU A 76 -0.141 14.429 -2.158 1.00 45.13 C ATOM 1201 O GLU A 76 0.709 14.831 -2.962 1.00 14.53 O ATOM 1202 CB GLU A 76 -2.589 13.994 -2.587 1.00 72.12 C ATOM 1203 CG GLU A 76 -3.683 13.148 -3.274 1.00 31.44 C ATOM 1204 CD GLU A 76 -3.449 12.939 -4.783 1.00 22.13 C ATOM 1205 OE1 GLU A 76 -2.995 13.889 -5.472 1.00 13.31 O ATOM 1206 OE2 GLU A 76 -3.756 11.841 -5.295 1.00 60.32 O ATOM 0 H GLU A 76 -2.052 12.001 -1.208 1.00 41.12 H new ATOM 0 HA GLU A 76 -0.896 12.970 -3.530 1.00 52.33 H new ATOM 0 HB2 GLU A 76 -2.904 14.200 -1.564 1.00 72.12 H new ATOM 0 HB3 GLU A 76 -2.522 14.953 -3.100 1.00 72.12 H new ATOM 0 HG2 GLU A 76 -3.737 12.175 -2.786 1.00 31.44 H new ATOM 0 HG3 GLU A 76 -4.649 13.632 -3.129 1.00 31.44 H new ATOM 1213 N ASN A 77 -0.234 14.845 -0.900 1.00 12.32 N ATOM 1214 CA ASN A 77 0.469 16.009 -0.381 1.00 71.13 C ATOM 1215 C ASN A 77 0.534 15.934 1.147 1.00 5.22 C ATOM 1216 O ASN A 77 -0.119 15.073 1.770 1.00 2.04 O ATOM 1217 CB ASN A 77 -0.236 17.324 -0.869 1.00 40.52 C ATOM 1218 CG ASN A 77 -1.781 17.352 -0.738 1.00 14.32 C ATOM 1219 OD1 ASN A 77 -2.362 16.683 0.253 1.00 62.13 O flip ATOM 1220 ND2 ASN A 77 -2.458 17.997 -1.534 1.00 5.12 N flip ATOM 0 H ASN A 77 -0.810 14.374 -0.202 1.00 12.32 H new ATOM 0 HA ASN A 77 1.491 16.022 -0.761 1.00 71.13 H new ATOM 0 HB2 ASN A 77 0.172 18.163 -0.306 1.00 40.52 H new ATOM 0 HB3 ASN A 77 0.024 17.486 -1.915 1.00 40.52 H new ATOM 0 HD21 ASN A 77 -2.005 18.508 -2.292 1.00 5.12 H new ATOM 0 HD22 ASN A 77 -3.473 18.022 -1.437 1.00 5.12 H new ATOM 1227 N GLU A 78 1.285 16.864 1.745 1.00 52.31 N ATOM 1228 CA GLU A 78 1.504 16.907 3.203 1.00 72.43 C ATOM 1229 C GLU A 78 0.325 17.584 3.944 1.00 24.34 C ATOM 1230 O GLU A 78 0.323 17.657 5.176 1.00 41.44 O ATOM 1231 CB GLU A 78 2.845 17.610 3.505 1.00 30.02 C ATOM 1232 CG GLU A 78 4.062 16.907 2.862 1.00 33.22 C ATOM 1233 CD GLU A 78 5.360 17.714 2.985 1.00 71.34 C ATOM 1234 OE1 GLU A 78 5.430 18.809 2.378 1.00 32.13 O ATOM 1235 OE2 GLU A 78 6.320 17.243 3.640 1.00 2.13 O ATOM 0 H GLU A 78 1.760 17.610 1.237 1.00 52.31 H new ATOM 0 HA GLU A 78 1.553 15.884 3.575 1.00 72.43 H new ATOM 0 HB2 GLU A 78 2.797 18.638 3.147 1.00 30.02 H new ATOM 0 HB3 GLU A 78 2.989 17.655 4.585 1.00 30.02 H new ATOM 0 HG2 GLU A 78 4.201 15.933 3.332 1.00 33.22 H new ATOM 0 HG3 GLU A 78 3.853 16.725 1.808 1.00 33.22 H new ATOM 1242 N GLU A 79 -0.674 18.072 3.168 1.00 13.31 N ATOM 1243 CA GLU A 79 -1.968 18.552 3.704 1.00 74.53 C ATOM 1244 C GLU A 79 -2.706 17.383 4.374 1.00 53.41 C ATOM 1245 O GLU A 79 -3.282 17.517 5.457 1.00 51.20 O ATOM 1246 CB GLU A 79 -2.836 19.164 2.565 1.00 71.23 C ATOM 1247 CG GLU A 79 -4.216 19.702 3.011 1.00 42.34 C ATOM 1248 CD GLU A 79 -4.117 20.877 4.006 1.00 31.13 C ATOM 1249 OE1 GLU A 79 -3.853 22.020 3.568 1.00 13.32 O ATOM 1250 OE2 GLU A 79 -4.283 20.663 5.229 1.00 4.25 O ATOM 0 H GLU A 79 -0.603 18.143 2.153 1.00 13.31 H new ATOM 0 HA GLU A 79 -1.784 19.331 4.444 1.00 74.53 H new ATOM 0 HB2 GLU A 79 -2.278 19.978 2.101 1.00 71.23 H new ATOM 0 HB3 GLU A 79 -2.989 18.405 1.798 1.00 71.23 H new ATOM 0 HG2 GLU A 79 -4.774 20.024 2.132 1.00 42.34 H new ATOM 0 HG3 GLU A 79 -4.783 18.892 3.470 1.00 42.34 H new ATOM 1257 N LEU A 80 -2.663 16.230 3.695 1.00 65.12 N ATOM 1258 CA LEU A 80 -3.164 14.964 4.220 1.00 43.04 C ATOM 1259 C LEU A 80 -2.139 14.403 5.194 1.00 55.24 C ATOM 1260 O LEU A 80 -0.968 14.299 4.854 1.00 12.14 O ATOM 1261 CB LEU A 80 -3.382 13.968 3.065 1.00 13.44 C ATOM 1262 CG LEU A 80 -4.397 14.430 1.981 1.00 2.11 C ATOM 1263 CD1 LEU A 80 -4.298 13.539 0.746 1.00 21.42 C ATOM 1264 CD2 LEU A 80 -5.840 14.455 2.535 1.00 3.45 C ATOM 0 H LEU A 80 -2.274 16.154 2.755 1.00 65.12 H new ATOM 0 HA LEU A 80 -4.114 15.124 4.729 1.00 43.04 H new ATOM 0 HB2 LEU A 80 -2.423 13.776 2.585 1.00 13.44 H new ATOM 0 HB3 LEU A 80 -3.725 13.021 3.482 1.00 13.44 H new ATOM 0 HG LEU A 80 -4.142 15.449 1.691 1.00 2.11 H new ATOM 0 HD11 LEU A 80 -5.015 13.875 -0.003 1.00 21.42 H new ATOM 0 HD12 LEU A 80 -3.290 13.597 0.336 1.00 21.42 H new ATOM 0 HD13 LEU A 80 -4.519 12.508 1.022 1.00 21.42 H new ATOM 0 HD21 LEU A 80 -6.525 14.782 1.752 1.00 3.45 H new ATOM 0 HD22 LEU A 80 -6.120 13.455 2.867 1.00 3.45 H new ATOM 0 HD23 LEU A 80 -5.895 15.145 3.377 1.00 3.45 H new ATOM 1276 N ASP A 81 -2.583 14.120 6.402 1.00 35.21 N ATOM 1277 CA ASP A 81 -1.768 13.435 7.424 1.00 15.04 C ATOM 1278 C ASP A 81 -1.999 11.918 7.314 1.00 1.40 C ATOM 1279 O ASP A 81 -3.105 11.488 6.978 1.00 35.44 O ATOM 1280 CB ASP A 81 -2.120 13.958 8.843 1.00 3.20 C ATOM 1281 CG ASP A 81 -1.229 13.350 9.938 1.00 72.24 C ATOM 1282 OD1 ASP A 81 -0.068 13.780 10.081 1.00 51.22 O ATOM 1283 OD2 ASP A 81 -1.663 12.410 10.626 1.00 63.44 O ATOM 0 H ASP A 81 -3.524 14.354 6.719 1.00 35.21 H new ATOM 0 HA ASP A 81 -0.712 13.645 7.254 1.00 15.04 H new ATOM 0 HB2 ASP A 81 -2.021 15.043 8.861 1.00 3.20 H new ATOM 0 HB3 ASP A 81 -3.163 13.730 9.061 1.00 3.20 H new ATOM 1288 N TRP A 82 -0.954 11.117 7.613 1.00 51.02 N ATOM 1289 CA TRP A 82 -0.997 9.653 7.465 1.00 12.20 C ATOM 1290 C TRP A 82 -2.032 9.002 8.392 1.00 41.12 C ATOM 1291 O TRP A 82 -2.647 8.029 7.984 1.00 22.32 O ATOM 1292 CB TRP A 82 0.409 8.998 7.665 1.00 1.13 C ATOM 1293 CG TRP A 82 1.230 8.933 6.400 1.00 53.14 C ATOM 1294 CD1 TRP A 82 2.461 9.485 6.161 1.00 54.03 C ATOM 1295 CD2 TRP A 82 0.845 8.267 5.179 1.00 44.01 C ATOM 1296 NE1 TRP A 82 2.854 9.209 4.875 1.00 51.42 N ATOM 1297 CE2 TRP A 82 1.878 8.460 4.260 1.00 34.31 C ATOM 1298 CE3 TRP A 82 -0.282 7.521 4.785 1.00 32.33 C ATOM 1299 CZ2 TRP A 82 1.823 7.949 2.969 1.00 73.11 C ATOM 1300 CZ3 TRP A 82 -0.330 7.014 3.503 1.00 34.34 C ATOM 1301 CH2 TRP A 82 0.718 7.229 2.611 1.00 53.04 C ATOM 0 H TRP A 82 -0.062 11.468 7.962 1.00 51.02 H new ATOM 0 HA TRP A 82 -1.310 9.466 6.438 1.00 12.20 H new ATOM 0 HB2 TRP A 82 0.960 9.562 8.417 1.00 1.13 H new ATOM 0 HB3 TRP A 82 0.278 7.989 8.056 1.00 1.13 H new ATOM 0 HD1 TRP A 82 3.036 10.053 6.877 1.00 54.03 H new ATOM 0 HE1 TRP A 82 3.728 9.511 4.445 1.00 51.42 H new ATOM 0 HE3 TRP A 82 -1.095 7.349 5.475 1.00 32.33 H new ATOM 0 HZ2 TRP A 82 2.629 8.116 2.270 1.00 73.11 H new ATOM 0 HZ3 TRP A 82 -1.191 6.443 3.187 1.00 34.34 H new ATOM 0 HH2 TRP A 82 0.656 6.818 1.614 1.00 53.04 H new ATOM 1312 N ASN A 83 -2.261 9.575 9.597 1.00 54.33 N ATOM 1313 CA ASN A 83 -3.224 9.022 10.599 1.00 13.33 C ATOM 1314 C ASN A 83 -4.662 8.983 10.043 1.00 64.11 C ATOM 1315 O ASN A 83 -5.492 8.219 10.534 1.00 54.34 O ATOM 1316 CB ASN A 83 -3.185 9.820 11.938 1.00 45.44 C ATOM 1317 CG ASN A 83 -1.869 9.671 12.709 1.00 12.04 C ATOM 1318 OD1 ASN A 83 -1.207 8.633 12.657 1.00 42.12 O ATOM 1319 ND2 ASN A 83 -1.481 10.708 13.429 1.00 20.10 N ATOM 0 H ASN A 83 -1.792 10.426 9.907 1.00 54.33 H new ATOM 0 HA ASN A 83 -2.909 7.999 10.804 1.00 13.33 H new ATOM 0 HB2 ASN A 83 -3.353 10.876 11.726 1.00 45.44 H new ATOM 0 HB3 ASN A 83 -4.007 9.487 12.572 1.00 45.44 H new ATOM 0 HD21 ASN A 83 -0.612 10.663 13.961 1.00 20.10 H new ATOM 0 HD22 ASN A 83 -2.050 11.554 13.453 1.00 20.10 H new ATOM 1326 N LEU A 84 -4.934 9.813 9.018 1.00 75.43 N ATOM 1327 CA LEU A 84 -6.243 9.880 8.351 1.00 63.41 C ATOM 1328 C LEU A 84 -6.424 8.654 7.429 1.00 44.24 C ATOM 1329 O LEU A 84 -7.498 8.042 7.391 1.00 22.51 O ATOM 1330 CB LEU A 84 -6.343 11.203 7.538 1.00 75.12 C ATOM 1331 CG LEU A 84 -6.001 12.516 8.321 1.00 52.31 C ATOM 1332 CD1 LEU A 84 -6.005 13.740 7.385 1.00 11.53 C ATOM 1333 CD2 LEU A 84 -6.948 12.731 9.525 1.00 12.50 C ATOM 0 H LEU A 84 -4.246 10.458 8.629 1.00 75.43 H new ATOM 0 HA LEU A 84 -7.037 9.868 9.097 1.00 63.41 H new ATOM 0 HB2 LEU A 84 -5.675 11.131 6.680 1.00 75.12 H new ATOM 0 HB3 LEU A 84 -7.357 11.290 7.146 1.00 75.12 H new ATOM 0 HG LEU A 84 -4.993 12.401 8.719 1.00 52.31 H new ATOM 0 HD11 LEU A 84 -5.764 14.636 7.957 1.00 11.53 H new ATOM 0 HD12 LEU A 84 -5.262 13.600 6.600 1.00 11.53 H new ATOM 0 HD13 LEU A 84 -6.992 13.851 6.935 1.00 11.53 H new ATOM 0 HD21 LEU A 84 -6.677 13.652 10.041 1.00 12.50 H new ATOM 0 HD22 LEU A 84 -7.976 12.802 9.171 1.00 12.50 H new ATOM 0 HD23 LEU A 84 -6.859 11.890 10.213 1.00 12.50 H new ATOM 1345 N LEU A 85 -5.346 8.305 6.699 1.00 11.33 N ATOM 1346 CA LEU A 85 -5.343 7.180 5.746 1.00 41.10 C ATOM 1347 C LEU A 85 -5.167 5.821 6.453 1.00 4.21 C ATOM 1348 O LEU A 85 -5.773 4.849 6.025 1.00 64.22 O ATOM 1349 CB LEU A 85 -4.231 7.366 4.671 1.00 5.15 C ATOM 1350 CG LEU A 85 -4.379 8.585 3.689 1.00 31.12 C ATOM 1351 CD1 LEU A 85 -3.939 9.920 4.329 1.00 11.20 C ATOM 1352 CD2 LEU A 85 -3.645 8.335 2.349 1.00 44.33 C ATOM 0 H LEU A 85 -4.454 8.796 6.754 1.00 11.33 H new ATOM 0 HA LEU A 85 -6.317 7.179 5.257 1.00 41.10 H new ATOM 0 HB2 LEU A 85 -3.275 7.461 5.186 1.00 5.15 H new ATOM 0 HB3 LEU A 85 -4.182 6.455 4.074 1.00 5.15 H new ATOM 0 HG LEU A 85 -5.443 8.675 3.473 1.00 31.12 H new ATOM 0 HD11 LEU A 85 -4.062 10.727 3.607 1.00 11.20 H new ATOM 0 HD12 LEU A 85 -4.552 10.122 5.207 1.00 11.20 H new ATOM 0 HD13 LEU A 85 -2.892 9.854 4.625 1.00 11.20 H new ATOM 0 HD21 LEU A 85 -3.771 9.200 1.698 1.00 44.33 H new ATOM 0 HD22 LEU A 85 -2.584 8.176 2.540 1.00 44.33 H new ATOM 0 HD23 LEU A 85 -4.063 7.453 1.864 1.00 44.33 H new ATOM 1364 N LYS A 86 -4.350 5.782 7.534 1.00 54.42 N ATOM 1365 CA LYS A 86 -3.933 4.525 8.225 1.00 75.40 C ATOM 1366 C LYS A 86 -5.108 3.547 8.528 1.00 45.21 C ATOM 1367 O LYS A 86 -4.998 2.395 8.124 1.00 1.32 O ATOM 1368 CB LYS A 86 -3.132 4.826 9.529 1.00 12.55 C ATOM 1369 CG LYS A 86 -1.709 5.375 9.313 1.00 32.11 C ATOM 1370 CD LYS A 86 -1.036 5.785 10.645 1.00 55.14 C ATOM 1371 CE LYS A 86 0.316 6.484 10.452 1.00 73.34 C ATOM 1372 NZ LYS A 86 0.907 6.916 11.746 1.00 51.42 N ATOM 0 H LYS A 86 -3.957 6.623 7.957 1.00 54.42 H new ATOM 0 HA LYS A 86 -3.283 4.016 7.514 1.00 75.40 H new ATOM 0 HB2 LYS A 86 -3.695 5.545 10.124 1.00 12.55 H new ATOM 0 HB3 LYS A 86 -3.065 3.909 10.115 1.00 12.55 H new ATOM 0 HG2 LYS A 86 -1.100 4.619 8.817 1.00 32.11 H new ATOM 0 HG3 LYS A 86 -1.750 6.237 8.648 1.00 32.11 H new ATOM 0 HD2 LYS A 86 -1.705 6.448 11.193 1.00 55.14 H new ATOM 0 HD3 LYS A 86 -0.893 4.897 11.260 1.00 55.14 H new ATOM 0 HE2 LYS A 86 1.005 5.808 9.946 1.00 73.34 H new ATOM 0 HE3 LYS A 86 0.187 7.351 9.804 1.00 73.34 H new ATOM 0 HZ1 LYS A 86 1.803 7.414 11.569 1.00 51.42 H new ATOM 0 HZ2 LYS A 86 0.246 7.554 12.233 1.00 51.42 H new ATOM 0 HZ3 LYS A 86 1.086 6.082 12.342 1.00 51.42 H new ATOM 1386 N PRO A 87 -6.241 3.961 9.230 1.00 33.50 N ATOM 1387 CA PRO A 87 -7.360 3.029 9.559 1.00 61.03 C ATOM 1388 C PRO A 87 -7.970 2.389 8.297 1.00 40.22 C ATOM 1389 O PRO A 87 -8.344 1.210 8.304 1.00 32.14 O ATOM 1390 CB PRO A 87 -8.391 3.935 10.296 1.00 51.11 C ATOM 1391 CG PRO A 87 -8.030 5.337 9.903 1.00 21.12 C ATOM 1392 CD PRO A 87 -6.528 5.329 9.763 1.00 51.41 C ATOM 0 HA PRO A 87 -7.031 2.184 10.164 1.00 61.03 H new ATOM 0 HB2 PRO A 87 -9.412 3.693 9.999 1.00 51.11 H new ATOM 0 HB3 PRO A 87 -8.333 3.801 11.376 1.00 51.11 H new ATOM 0 HG2 PRO A 87 -8.512 5.621 8.968 1.00 21.12 H new ATOM 0 HG3 PRO A 87 -8.352 6.054 10.658 1.00 21.12 H new ATOM 0 HD2 PRO A 87 -6.183 6.107 9.082 1.00 51.41 H new ATOM 0 HD3 PRO A 87 -6.034 5.500 10.719 1.00 51.41 H new ATOM 1400 N ASP A 88 -8.032 3.191 7.216 1.00 51.14 N ATOM 1401 CA ASP A 88 -8.621 2.779 5.935 1.00 72.11 C ATOM 1402 C ASP A 88 -7.690 1.755 5.251 1.00 34.54 C ATOM 1403 O ASP A 88 -8.139 0.700 4.820 1.00 14.51 O ATOM 1404 CB ASP A 88 -8.845 4.029 5.027 1.00 13.21 C ATOM 1405 CG ASP A 88 -9.924 3.823 3.942 1.00 30.51 C ATOM 1406 OD1 ASP A 88 -9.867 2.826 3.191 1.00 64.41 O ATOM 1407 OD2 ASP A 88 -10.848 4.661 3.836 1.00 60.13 O ATOM 0 H ASP A 88 -7.673 4.146 7.211 1.00 51.14 H new ATOM 0 HA ASP A 88 -9.589 2.309 6.107 1.00 72.11 H new ATOM 0 HB2 ASP A 88 -9.129 4.875 5.653 1.00 13.21 H new ATOM 0 HB3 ASP A 88 -7.903 4.290 4.545 1.00 13.21 H new ATOM 1412 N ILE A 89 -6.383 2.099 5.206 1.00 62.43 N ATOM 1413 CA ILE A 89 -5.331 1.284 4.571 1.00 64.44 C ATOM 1414 C ILE A 89 -5.218 -0.086 5.258 1.00 70.45 C ATOM 1415 O ILE A 89 -5.179 -1.108 4.579 1.00 15.04 O ATOM 1416 CB ILE A 89 -3.931 2.033 4.575 1.00 0.52 C ATOM 1417 CG1 ILE A 89 -4.011 3.339 3.711 1.00 61.30 C ATOM 1418 CG2 ILE A 89 -2.778 1.114 4.081 1.00 11.30 C ATOM 1419 CD1 ILE A 89 -2.722 4.138 3.629 1.00 63.04 C ATOM 0 H ILE A 89 -6.028 2.963 5.616 1.00 62.43 H new ATOM 0 HA ILE A 89 -5.617 1.127 3.531 1.00 64.44 H new ATOM 0 HB ILE A 89 -3.705 2.305 5.606 1.00 0.52 H new ATOM 0 HG12 ILE A 89 -4.318 3.069 2.700 1.00 61.30 H new ATOM 0 HG13 ILE A 89 -4.792 3.980 4.121 1.00 61.30 H new ATOM 0 HG21 ILE A 89 -1.839 1.667 4.100 1.00 11.30 H new ATOM 0 HG22 ILE A 89 -2.701 0.245 4.734 1.00 11.30 H new ATOM 0 HG23 ILE A 89 -2.985 0.786 3.063 1.00 11.30 H new ATOM 0 HD11 ILE A 89 -2.880 5.021 3.010 1.00 63.04 H new ATOM 0 HD12 ILE A 89 -2.420 4.446 4.630 1.00 63.04 H new ATOM 0 HD13 ILE A 89 -1.939 3.521 3.188 1.00 63.04 H new ATOM 1431 N TYR A 90 -5.226 -0.086 6.608 1.00 53.10 N ATOM 1432 CA TYR A 90 -5.116 -1.315 7.419 1.00 22.11 C ATOM 1433 C TYR A 90 -6.329 -2.212 7.176 1.00 14.21 C ATOM 1434 O TYR A 90 -6.172 -3.417 6.991 1.00 1.14 O ATOM 1435 CB TYR A 90 -4.991 -1.000 8.938 1.00 43.12 C ATOM 1436 CG TYR A 90 -3.780 -0.151 9.347 1.00 25.25 C ATOM 1437 CD1 TYR A 90 -2.666 0.025 8.511 1.00 2.14 C ATOM 1438 CD2 TYR A 90 -3.760 0.483 10.588 1.00 71.54 C ATOM 1439 CE1 TYR A 90 -1.598 0.800 8.904 1.00 24.31 C ATOM 1440 CE2 TYR A 90 -2.695 1.257 10.979 1.00 60.31 C ATOM 1441 CZ TYR A 90 -1.616 1.410 10.139 1.00 51.30 C ATOM 1442 OH TYR A 90 -0.554 2.183 10.536 1.00 73.43 O ATOM 0 H TYR A 90 -5.309 0.765 7.164 1.00 53.10 H new ATOM 0 HA TYR A 90 -4.207 -1.831 7.110 1.00 22.11 H new ATOM 0 HB2 TYR A 90 -5.897 -0.485 9.259 1.00 43.12 H new ATOM 0 HB3 TYR A 90 -4.950 -1.943 9.483 1.00 43.12 H new ATOM 0 HD1 TYR A 90 -2.646 -0.455 7.544 1.00 2.14 H new ATOM 0 HD2 TYR A 90 -4.600 0.363 11.256 1.00 71.54 H new ATOM 0 HE1 TYR A 90 -0.750 0.929 8.247 1.00 24.31 H new ATOM 0 HE2 TYR A 90 -2.704 1.744 11.943 1.00 60.31 H new ATOM 0 HH TYR A 90 -0.727 2.541 11.432 1.00 73.43 H new ATOM 1452 N ALA A 91 -7.528 -1.594 7.155 1.00 13.21 N ATOM 1453 CA ALA A 91 -8.790 -2.303 6.899 1.00 25.45 C ATOM 1454 C ALA A 91 -8.767 -2.992 5.522 1.00 12.34 C ATOM 1455 O ALA A 91 -9.193 -4.131 5.400 1.00 32.15 O ATOM 1456 CB ALA A 91 -9.980 -1.333 7.009 1.00 11.20 C ATOM 0 H ALA A 91 -7.644 -0.593 7.315 1.00 13.21 H new ATOM 0 HA ALA A 91 -8.907 -3.079 7.656 1.00 25.45 H new ATOM 0 HB1 ALA A 91 -10.908 -1.872 6.817 1.00 11.20 H new ATOM 0 HB2 ALA A 91 -10.009 -0.905 8.011 1.00 11.20 H new ATOM 0 HB3 ALA A 91 -9.867 -0.534 6.277 1.00 11.20 H new ATOM 1462 N THR A 92 -8.245 -2.268 4.509 1.00 73.13 N ATOM 1463 CA THR A 92 -8.121 -2.755 3.122 1.00 34.41 C ATOM 1464 C THR A 92 -7.177 -3.980 3.031 1.00 31.54 C ATOM 1465 O THR A 92 -7.544 -5.012 2.454 1.00 60.22 O ATOM 1466 CB THR A 92 -7.615 -1.597 2.189 1.00 74.40 C ATOM 1467 OG1 THR A 92 -8.490 -0.459 2.317 1.00 55.05 O ATOM 1468 CG2 THR A 92 -7.567 -2.014 0.715 1.00 14.13 C ATOM 0 H THR A 92 -7.894 -1.318 4.635 1.00 73.13 H new ATOM 0 HA THR A 92 -9.107 -3.077 2.787 1.00 34.41 H new ATOM 0 HB THR A 92 -6.601 -1.349 2.504 1.00 74.40 H new ATOM 0 HG1 THR A 92 -8.357 -0.041 3.193 1.00 55.05 H new ATOM 0 HG21 THR A 92 -7.211 -1.179 0.112 1.00 14.13 H new ATOM 0 HG22 THR A 92 -6.890 -2.860 0.598 1.00 14.13 H new ATOM 0 HG23 THR A 92 -8.566 -2.300 0.385 1.00 14.13 H new ATOM 1476 N ILE A 93 -5.982 -3.840 3.641 1.00 72.44 N ATOM 1477 CA ILE A 93 -4.929 -4.877 3.648 1.00 64.53 C ATOM 1478 C ILE A 93 -5.435 -6.152 4.349 1.00 15.43 C ATOM 1479 O ILE A 93 -5.496 -7.210 3.735 1.00 65.50 O ATOM 1480 CB ILE A 93 -3.608 -4.353 4.348 1.00 42.03 C ATOM 1481 CG1 ILE A 93 -3.010 -3.142 3.558 1.00 55.34 C ATOM 1482 CG2 ILE A 93 -2.548 -5.479 4.514 1.00 0.11 C ATOM 1483 CD1 ILE A 93 -1.874 -2.423 4.275 1.00 65.23 C ATOM 0 H ILE A 93 -5.718 -2.995 4.148 1.00 72.44 H new ATOM 0 HA ILE A 93 -4.688 -5.115 2.612 1.00 64.53 H new ATOM 0 HB ILE A 93 -3.882 -4.019 5.349 1.00 42.03 H new ATOM 0 HG12 ILE A 93 -2.648 -3.496 2.593 1.00 55.34 H new ATOM 0 HG13 ILE A 93 -3.807 -2.426 3.356 1.00 55.34 H new ATOM 0 HG21 ILE A 93 -1.660 -5.074 4.998 1.00 0.11 H new ATOM 0 HG22 ILE A 93 -2.961 -6.280 5.126 1.00 0.11 H new ATOM 0 HG23 ILE A 93 -2.279 -5.873 3.534 1.00 0.11 H new ATOM 0 HD11 ILE A 93 -1.519 -1.598 3.658 1.00 65.23 H new ATOM 0 HD12 ILE A 93 -2.233 -2.035 5.228 1.00 65.23 H new ATOM 0 HD13 ILE A 93 -1.056 -3.121 4.453 1.00 65.23 H new ATOM 1495 N MET A 94 -5.842 -6.012 5.624 1.00 13.15 N ATOM 1496 CA MET A 94 -6.229 -7.152 6.482 1.00 40.51 C ATOM 1497 C MET A 94 -7.472 -7.886 5.934 1.00 23.44 C ATOM 1498 O MET A 94 -7.564 -9.099 6.066 1.00 50.15 O ATOM 1499 CB MET A 94 -6.448 -6.686 7.950 1.00 72.41 C ATOM 1500 CG MET A 94 -5.191 -6.092 8.608 1.00 74.34 C ATOM 1501 SD MET A 94 -5.431 -5.658 10.349 1.00 14.21 S ATOM 1502 CE MET A 94 -6.660 -4.356 10.245 1.00 62.44 C ATOM 0 H MET A 94 -5.913 -5.107 6.090 1.00 13.15 H new ATOM 0 HA MET A 94 -5.407 -7.868 6.472 1.00 40.51 H new ATOM 0 HB2 MET A 94 -7.243 -5.941 7.970 1.00 72.41 H new ATOM 0 HB3 MET A 94 -6.791 -7.534 8.543 1.00 72.41 H new ATOM 0 HG2 MET A 94 -4.374 -6.810 8.529 1.00 74.34 H new ATOM 0 HG3 MET A 94 -4.887 -5.202 8.057 1.00 74.34 H new ATOM 0 HE1 MET A 94 -6.283 -3.459 10.737 1.00 62.44 H new ATOM 0 HE2 MET A 94 -6.869 -4.135 9.198 1.00 62.44 H new ATOM 0 HE3 MET A 94 -7.577 -4.681 10.737 1.00 62.44 H new ATOM 1512 N ASP A 95 -8.413 -7.124 5.328 1.00 21.42 N ATOM 1513 CA ASP A 95 -9.595 -7.683 4.619 1.00 32.24 C ATOM 1514 C ASP A 95 -9.173 -8.590 3.446 1.00 2.44 C ATOM 1515 O ASP A 95 -9.632 -9.733 3.330 1.00 64.22 O ATOM 1516 CB ASP A 95 -10.491 -6.525 4.100 1.00 74.34 C ATOM 1517 CG ASP A 95 -11.717 -6.976 3.289 1.00 42.10 C ATOM 1518 OD1 ASP A 95 -12.706 -7.435 3.895 1.00 73.43 O ATOM 1519 OD2 ASP A 95 -11.695 -6.874 2.044 1.00 64.44 O ATOM 0 H ASP A 95 -8.377 -6.105 5.315 1.00 21.42 H new ATOM 0 HA ASP A 95 -10.157 -8.293 5.326 1.00 32.24 H new ATOM 0 HB2 ASP A 95 -10.832 -5.938 4.952 1.00 74.34 H new ATOM 0 HB3 ASP A 95 -9.885 -5.865 3.480 1.00 74.34 H new ATOM 1524 N PHE A 96 -8.290 -8.046 2.597 1.00 71.42 N ATOM 1525 CA PHE A 96 -7.776 -8.713 1.387 1.00 64.45 C ATOM 1526 C PHE A 96 -7.026 -10.025 1.750 1.00 35.32 C ATOM 1527 O PHE A 96 -7.167 -11.052 1.065 1.00 23.43 O ATOM 1528 CB PHE A 96 -6.855 -7.702 0.651 1.00 14.20 C ATOM 1529 CG PHE A 96 -6.206 -8.203 -0.632 1.00 51.42 C ATOM 1530 CD1 PHE A 96 -6.939 -8.303 -1.806 1.00 75.31 C ATOM 1531 CD2 PHE A 96 -4.864 -8.561 -0.661 1.00 41.22 C ATOM 1532 CE1 PHE A 96 -6.349 -8.747 -2.967 1.00 31.34 C ATOM 1533 CE2 PHE A 96 -4.278 -9.001 -1.820 1.00 1.11 C ATOM 1534 CZ PHE A 96 -5.017 -9.095 -2.976 1.00 74.42 C ATOM 0 H PHE A 96 -7.904 -7.112 2.733 1.00 71.42 H new ATOM 0 HA PHE A 96 -8.596 -9.006 0.732 1.00 64.45 H new ATOM 0 HB2 PHE A 96 -7.440 -6.813 0.416 1.00 14.20 H new ATOM 0 HB3 PHE A 96 -6.066 -7.393 1.337 1.00 14.20 H new ATOM 0 HD1 PHE A 96 -7.984 -8.029 -1.808 1.00 75.31 H new ATOM 0 HD2 PHE A 96 -4.274 -8.492 0.241 1.00 41.22 H new ATOM 0 HE1 PHE A 96 -6.932 -8.823 -3.873 1.00 31.34 H new ATOM 0 HE2 PHE A 96 -3.233 -9.274 -1.825 1.00 1.11 H new ATOM 0 HZ PHE A 96 -4.554 -9.441 -3.888 1.00 74.42 H new ATOM 1544 N PHE A 97 -6.251 -9.961 2.854 1.00 20.45 N ATOM 1545 CA PHE A 97 -5.480 -11.101 3.399 1.00 32.14 C ATOM 1546 C PHE A 97 -6.423 -12.134 4.066 1.00 34.25 C ATOM 1547 O PHE A 97 -6.181 -13.343 3.984 1.00 51.50 O ATOM 1548 CB PHE A 97 -4.396 -10.600 4.413 1.00 50.33 C ATOM 1549 CG PHE A 97 -3.174 -9.902 3.781 1.00 20.11 C ATOM 1550 CD1 PHE A 97 -3.313 -8.985 2.735 1.00 3.43 C ATOM 1551 CD2 PHE A 97 -1.884 -10.154 4.252 1.00 70.22 C ATOM 1552 CE1 PHE A 97 -2.215 -8.353 2.188 1.00 43.30 C ATOM 1553 CE2 PHE A 97 -0.786 -9.522 3.698 1.00 30.43 C ATOM 1554 CZ PHE A 97 -0.953 -8.620 2.667 1.00 61.14 C ATOM 0 H PHE A 97 -6.141 -9.106 3.399 1.00 20.45 H new ATOM 0 HA PHE A 97 -4.970 -11.595 2.572 1.00 32.14 H new ATOM 0 HB2 PHE A 97 -4.868 -9.909 5.111 1.00 50.33 H new ATOM 0 HB3 PHE A 97 -4.046 -11.452 4.996 1.00 50.33 H new ATOM 0 HD1 PHE A 97 -4.298 -8.767 2.348 1.00 3.43 H new ATOM 0 HD2 PHE A 97 -1.741 -10.854 5.062 1.00 70.22 H new ATOM 0 HE1 PHE A 97 -2.347 -7.647 1.382 1.00 43.30 H new ATOM 0 HE2 PHE A 97 0.204 -9.735 4.073 1.00 30.43 H new ATOM 0 HZ PHE A 97 -0.095 -8.125 2.237 1.00 61.14 H new ATOM 1564 N ALA A 98 -7.503 -11.634 4.704 1.00 44.43 N ATOM 1565 CA ALA A 98 -8.513 -12.473 5.385 1.00 23.13 C ATOM 1566 C ALA A 98 -9.331 -13.288 4.374 1.00 42.32 C ATOM 1567 O ALA A 98 -9.771 -14.403 4.681 1.00 71.02 O ATOM 1568 CB ALA A 98 -9.447 -11.616 6.256 1.00 41.43 C ATOM 0 H ALA A 98 -7.700 -10.635 4.761 1.00 44.43 H new ATOM 0 HA ALA A 98 -7.978 -13.168 6.032 1.00 23.13 H new ATOM 0 HB1 ALA A 98 -10.180 -12.258 6.745 1.00 41.43 H new ATOM 0 HB2 ALA A 98 -8.861 -11.093 7.012 1.00 41.43 H new ATOM 0 HB3 ALA A 98 -9.963 -10.889 5.629 1.00 41.43 H new ATOM 1574 N SER A 99 -9.533 -12.719 3.174 1.00 33.11 N ATOM 1575 CA SER A 99 -10.198 -13.416 2.064 1.00 44.30 C ATOM 1576 C SER A 99 -9.235 -14.438 1.428 1.00 30.12 C ATOM 1577 O SER A 99 -9.676 -15.440 0.855 1.00 34.20 O ATOM 1578 CB SER A 99 -10.682 -12.394 1.016 1.00 23.01 C ATOM 1579 OG SER A 99 -11.530 -11.429 1.604 1.00 32.12 O ATOM 0 H SER A 99 -9.241 -11.768 2.948 1.00 33.11 H new ATOM 0 HA SER A 99 -11.065 -13.955 2.447 1.00 44.30 H new ATOM 0 HB2 SER A 99 -9.823 -11.900 0.561 1.00 23.01 H new ATOM 0 HB3 SER A 99 -11.213 -12.911 0.217 1.00 23.01 H new ATOM 0 HG SER A 99 -11.000 -10.828 2.168 1.00 32.12 H new ATOM 1585 N GLY A 100 -7.919 -14.167 1.562 1.00 63.24 N ATOM 1586 CA GLY A 100 -6.870 -15.022 1.016 1.00 3.53 C ATOM 1587 C GLY A 100 -6.729 -14.882 -0.491 1.00 24.14 C ATOM 1588 O GLY A 100 -6.329 -15.829 -1.171 1.00 43.42 O ATOM 0 H GLY A 100 -7.565 -13.346 2.054 1.00 63.24 H new ATOM 0 HA2 GLY A 100 -5.921 -14.775 1.491 1.00 3.53 H new ATOM 0 HA3 GLY A 100 -7.088 -16.061 1.262 1.00 3.53 H new ATOM 1592 N LEU A 101 -7.048 -13.676 -0.995 1.00 23.34 N ATOM 1593 CA LEU A 101 -6.960 -13.349 -2.428 1.00 4.14 C ATOM 1594 C LEU A 101 -5.476 -13.238 -2.859 1.00 35.01 C ATOM 1595 O LEU A 101 -4.638 -12.806 -2.043 1.00 61.15 O ATOM 1596 CB LEU A 101 -7.714 -12.020 -2.724 1.00 64.04 C ATOM 1597 CG LEU A 101 -9.243 -12.003 -2.404 1.00 33.52 C ATOM 1598 CD1 LEU A 101 -9.861 -10.608 -2.656 1.00 62.12 C ATOM 1599 CD2 LEU A 101 -9.997 -13.092 -3.202 1.00 71.00 C ATOM 0 H LEU A 101 -7.374 -12.900 -0.418 1.00 23.34 H new ATOM 0 HA LEU A 101 -7.430 -14.148 -3.001 1.00 4.14 H new ATOM 0 HB2 LEU A 101 -7.237 -11.222 -2.155 1.00 64.04 H new ATOM 0 HB3 LEU A 101 -7.583 -11.781 -3.779 1.00 64.04 H new ATOM 0 HG LEU A 101 -9.353 -12.227 -1.343 1.00 33.52 H new ATOM 0 HD11 LEU A 101 -10.925 -10.634 -2.423 1.00 62.12 H new ATOM 0 HD12 LEU A 101 -9.368 -9.872 -2.021 1.00 62.12 H new ATOM 0 HD13 LEU A 101 -9.725 -10.334 -3.702 1.00 62.12 H new ATOM 0 HD21 LEU A 101 -11.058 -13.054 -2.957 1.00 71.00 H new ATOM 0 HD22 LEU A 101 -9.865 -12.918 -4.270 1.00 71.00 H new ATOM 0 HD23 LEU A 101 -9.600 -14.073 -2.943 1.00 71.00 H new ATOM 1611 N PRO A 102 -5.125 -13.628 -4.137 1.00 51.51 N ATOM 1612 CA PRO A 102 -3.737 -13.533 -4.644 1.00 35.54 C ATOM 1613 C PRO A 102 -3.235 -12.072 -4.607 1.00 74.22 C ATOM 1614 O PRO A 102 -3.851 -11.184 -5.216 1.00 31.24 O ATOM 1615 CB PRO A 102 -3.826 -14.084 -6.098 1.00 43.20 C ATOM 1616 CG PRO A 102 -5.278 -13.972 -6.467 1.00 15.40 C ATOM 1617 CD PRO A 102 -6.045 -14.175 -5.177 1.00 73.12 C ATOM 0 HA PRO A 102 -3.024 -14.095 -4.040 1.00 35.54 H new ATOM 0 HB2 PRO A 102 -3.200 -13.506 -6.778 1.00 43.20 H new ATOM 0 HB3 PRO A 102 -3.484 -15.118 -6.150 1.00 43.20 H new ATOM 0 HG2 PRO A 102 -5.497 -12.998 -6.904 1.00 15.40 H new ATOM 0 HG3 PRO A 102 -5.553 -14.722 -7.208 1.00 15.40 H new ATOM 0 HD2 PRO A 102 -6.998 -13.646 -5.189 1.00 73.12 H new ATOM 0 HD3 PRO A 102 -6.267 -15.228 -5.003 1.00 73.12 H new ATOM 1625 N LEU A 103 -2.137 -11.864 -3.847 1.00 1.32 N ATOM 1626 CA LEU A 103 -1.502 -10.553 -3.588 1.00 3.52 C ATOM 1627 C LEU A 103 -1.325 -9.757 -4.892 1.00 32.41 C ATOM 1628 O LEU A 103 -1.728 -8.597 -4.994 1.00 22.22 O ATOM 1629 CB LEU A 103 -0.134 -10.792 -2.847 1.00 21.21 C ATOM 1630 CG LEU A 103 0.492 -9.605 -2.034 1.00 21.04 C ATOM 1631 CD1 LEU A 103 1.143 -8.545 -2.939 1.00 24.00 C ATOM 1632 CD2 LEU A 103 -0.559 -8.982 -1.087 1.00 12.23 C ATOM 0 H LEU A 103 -1.652 -12.631 -3.381 1.00 1.32 H new ATOM 0 HA LEU A 103 -2.146 -9.950 -2.948 1.00 3.52 H new ATOM 0 HB2 LEU A 103 -0.270 -11.629 -2.162 1.00 21.21 H new ATOM 0 HB3 LEU A 103 0.597 -11.106 -3.592 1.00 21.21 H new ATOM 0 HG LEU A 103 1.298 -10.017 -1.427 1.00 21.04 H new ATOM 0 HD11 LEU A 103 1.560 -7.748 -2.324 1.00 24.00 H new ATOM 0 HD12 LEU A 103 1.939 -9.005 -3.524 1.00 24.00 H new ATOM 0 HD13 LEU A 103 0.392 -8.130 -3.611 1.00 24.00 H new ATOM 0 HD21 LEU A 103 -0.107 -8.160 -0.531 1.00 12.23 H new ATOM 0 HD22 LEU A 103 -1.398 -8.606 -1.672 1.00 12.23 H new ATOM 0 HD23 LEU A 103 -0.914 -9.740 -0.389 1.00 12.23 H new ATOM 1644 N VAL A 104 -0.723 -10.425 -5.869 1.00 31.44 N ATOM 1645 CA VAL A 104 -0.529 -9.919 -7.225 1.00 70.24 C ATOM 1646 C VAL A 104 -1.104 -10.950 -8.211 1.00 35.21 C ATOM 1647 O VAL A 104 -0.925 -12.158 -8.023 1.00 15.24 O ATOM 1648 CB VAL A 104 0.998 -9.672 -7.509 1.00 72.32 C ATOM 1649 CG1 VAL A 104 1.245 -9.348 -8.987 1.00 13.51 C ATOM 1650 CG2 VAL A 104 1.568 -8.549 -6.608 1.00 53.32 C ATOM 0 H VAL A 104 -0.344 -11.363 -5.737 1.00 31.44 H new ATOM 0 HA VAL A 104 -1.044 -8.966 -7.344 1.00 70.24 H new ATOM 0 HB VAL A 104 1.522 -10.597 -7.270 1.00 72.32 H new ATOM 0 HG11 VAL A 104 2.310 -9.183 -9.150 1.00 13.51 H new ATOM 0 HG12 VAL A 104 0.909 -10.182 -9.603 1.00 13.51 H new ATOM 0 HG13 VAL A 104 0.692 -8.449 -9.260 1.00 13.51 H new ATOM 0 HG21 VAL A 104 2.625 -8.405 -6.831 1.00 53.32 H new ATOM 0 HG22 VAL A 104 1.028 -7.621 -6.797 1.00 53.32 H new ATOM 0 HG23 VAL A 104 1.453 -8.829 -5.561 1.00 53.32 H new ATOM 1660 N THR A 105 -1.806 -10.471 -9.244 1.00 4.41 N ATOM 1661 CA THR A 105 -2.369 -11.320 -10.300 1.00 44.51 C ATOM 1662 C THR A 105 -1.391 -11.428 -11.488 1.00 55.12 C ATOM 1663 O THR A 105 -1.125 -12.527 -11.980 1.00 0.13 O ATOM 1664 CB THR A 105 -3.766 -10.774 -10.749 1.00 64.24 C ATOM 1665 OG1 THR A 105 -3.683 -9.365 -11.045 1.00 53.24 O ATOM 1666 CG2 THR A 105 -4.836 -11.016 -9.665 1.00 1.20 C ATOM 0 H THR A 105 -2.001 -9.478 -9.372 1.00 4.41 H new ATOM 0 HA THR A 105 -2.516 -12.325 -9.905 1.00 44.51 H new ATOM 0 HB THR A 105 -4.060 -11.315 -11.649 1.00 64.24 H new ATOM 0 HG1 THR A 105 -4.563 -9.037 -11.326 1.00 53.24 H new ATOM 0 HG21 THR A 105 -5.795 -10.626 -10.007 1.00 1.20 H new ATOM 0 HG22 THR A 105 -4.926 -12.086 -9.475 1.00 1.20 H new ATOM 0 HG23 THR A 105 -4.544 -10.508 -8.746 1.00 1.20 H new ATOM 1674 N GLU A 106 -0.846 -10.281 -11.933 1.00 21.10 N ATOM 1675 CA GLU A 106 0.156 -10.228 -13.016 1.00 63.10 C ATOM 1676 C GLU A 106 1.498 -9.729 -12.460 1.00 62.40 C ATOM 1677 O GLU A 106 1.712 -8.520 -12.334 1.00 71.34 O ATOM 1678 CB GLU A 106 -0.324 -9.327 -14.188 1.00 3.23 C ATOM 1679 CG GLU A 106 -1.568 -9.860 -14.932 1.00 10.44 C ATOM 1680 CD GLU A 106 -1.393 -11.303 -15.447 1.00 54.44 C ATOM 1681 OE1 GLU A 106 -0.507 -11.543 -16.301 1.00 41.31 O ATOM 1682 OE2 GLU A 106 -2.135 -12.212 -14.996 1.00 43.51 O ATOM 0 H GLU A 106 -1.087 -9.365 -11.553 1.00 21.10 H new ATOM 0 HA GLU A 106 0.288 -11.235 -13.412 1.00 63.10 H new ATOM 0 HB2 GLU A 106 -0.546 -8.333 -13.799 1.00 3.23 H new ATOM 0 HB3 GLU A 106 0.492 -9.215 -14.902 1.00 3.23 H new ATOM 0 HG2 GLU A 106 -2.428 -9.821 -14.264 1.00 10.44 H new ATOM 0 HG3 GLU A 106 -1.789 -9.204 -15.774 1.00 10.44 H new ATOM 1689 N GLU A 107 2.382 -10.674 -12.110 1.00 43.13 N ATOM 1690 CA GLU A 107 3.705 -10.371 -11.529 1.00 12.23 C ATOM 1691 C GLU A 107 4.749 -10.172 -12.664 1.00 62.11 C ATOM 1692 O GLU A 107 5.156 -11.162 -13.310 1.00 43.52 O ATOM 1693 CB GLU A 107 4.109 -11.474 -10.495 1.00 3.53 C ATOM 1694 CG GLU A 107 3.919 -12.933 -10.971 1.00 1.53 C ATOM 1695 CD GLU A 107 4.339 -13.973 -9.915 1.00 53.31 C ATOM 1696 OE1 GLU A 107 5.532 -14.369 -9.889 1.00 23.33 O ATOM 1697 OE2 GLU A 107 3.492 -14.384 -9.108 1.00 42.51 O ATOM 1698 OXT GLU A 107 5.128 -9.012 -12.926 1.00 37.62 O ATOM 0 H GLU A 107 2.203 -11.672 -12.220 1.00 43.13 H new ATOM 0 HA GLU A 107 3.665 -9.434 -10.974 1.00 12.23 H new ATOM 0 HB2 GLU A 107 5.156 -11.331 -10.227 1.00 3.53 H new ATOM 0 HB3 GLU A 107 3.525 -11.327 -9.587 1.00 3.53 H new ATOM 0 HG2 GLU A 107 2.872 -13.091 -11.231 1.00 1.53 H new ATOM 0 HG3 GLU A 107 4.500 -13.091 -11.879 1.00 1.53 H new TER 1705 GLU A 107