USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 66 GLN : amide:sc= 0.502 K(o=0.93,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 175:sc= 0.432! (180deg=0) USER MOD Set 2.1: A 58 THR OG1 : rot -127:sc= 1.12! USER MOD Set 2.2: A 59 LYS NZ :NH3+ -164:sc= 2.03! (180deg=1.09!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.127 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=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 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.906 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.0449 USER MOD Single : A 37 TYR OH : rot 94:sc= 1.32 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.631 K(o=0.63,f=0) USER MOD Single : A 46 SER OG : rot -84:sc= 1.6 USER MOD Single : A 51 SER OG : rot -96:sc= -0.637! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 74:sc= 1.05 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 0.913! (180deg=-0.885!) USER MOD Single : A 79 LYS NZ :NH3+ -110:sc= 0.0401 (180deg=-1.43) USER MOD Single : A 81 MET CE :methyl -173:sc= -2.07! (180deg=-2.79!) USER MOD Single : A 82 THR OG1 : rot -41:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= 1.07 K(o=1.1,f=-0.032) USER MOD Single : A 89 HIS : no HD1:sc= -2.3! X(o=-2.3!,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.036 -21.368 -23.964 1.00 4.96 N ATOM 2 CA GLY A 1 -10.151 -22.358 -24.658 1.00 4.56 C ATOM 3 C GLY A 1 -8.726 -22.247 -24.085 1.00 4.00 C ATOM 4 O GLY A 1 -8.436 -21.346 -23.323 1.00 3.87 O ATOM 0 H1 GLY A 1 -11.792 -21.873 -23.459 1.00 4.96 H new ATOM 0 H2 GLY A 1 -10.474 -20.817 -23.284 1.00 4.96 H new ATOM 0 H3 GLY A 1 -11.457 -20.727 -24.666 1.00 4.96 H new ATOM 0 HA2 GLY A 1 -10.535 -23.369 -24.518 1.00 4.56 H new ATOM 0 HA3 GLY A 1 -10.141 -22.166 -25.731 1.00 4.56 H new ATOM 10 N SER A 2 -7.834 -23.153 -24.440 1.00 3.80 N ATOM 11 CA SER A 2 -6.422 -23.098 -23.912 1.00 3.39 C ATOM 12 C SER A 2 -6.407 -23.036 -22.377 1.00 2.96 C ATOM 13 O SER A 2 -5.722 -22.224 -21.781 1.00 2.82 O ATOM 14 CB SER A 2 -5.811 -21.821 -24.497 1.00 3.66 C ATOM 15 OG SER A 2 -5.478 -22.046 -25.859 1.00 4.01 O ATOM 0 H SER A 2 -8.023 -23.929 -25.074 1.00 3.80 H new ATOM 0 HA SER A 2 -5.861 -23.989 -24.196 1.00 3.39 H new ATOM 0 HB2 SER A 2 -6.517 -20.995 -24.414 1.00 3.66 H new ATOM 0 HB3 SER A 2 -4.921 -21.538 -23.934 1.00 3.66 H new ATOM 0 HG SER A 2 -5.088 -21.231 -26.239 1.00 4.01 H new ATOM 21 N MET A 3 -7.150 -23.892 -21.732 1.00 2.88 N ATOM 22 CA MET A 3 -7.173 -23.894 -20.238 1.00 2.61 C ATOM 23 C MET A 3 -6.733 -25.251 -19.706 1.00 2.46 C ATOM 24 O MET A 3 -6.463 -26.165 -20.463 1.00 2.58 O ATOM 25 CB MET A 3 -8.625 -23.625 -19.851 1.00 2.98 C ATOM 26 CG MET A 3 -9.087 -22.312 -20.485 1.00 3.20 C ATOM 27 SD MET A 3 -10.488 -21.649 -19.552 1.00 3.52 S ATOM 28 CE MET A 3 -9.537 -20.563 -18.460 1.00 3.66 C ATOM 0 H MET A 3 -7.745 -24.593 -22.174 1.00 2.88 H new ATOM 0 HA MET A 3 -6.496 -23.147 -19.823 1.00 2.61 H new ATOM 0 HB2 MET A 3 -9.260 -24.446 -20.185 1.00 2.98 H new ATOM 0 HB3 MET A 3 -8.719 -23.571 -18.766 1.00 2.98 H new ATOM 0 HG2 MET A 3 -8.269 -21.592 -20.493 1.00 3.20 H new ATOM 0 HG3 MET A 3 -9.374 -22.479 -21.523 1.00 3.20 H new ATOM 0 HE1 MET A 3 -10.215 -20.042 -17.784 1.00 3.66 H new ATOM 0 HE2 MET A 3 -8.832 -21.158 -17.879 1.00 3.66 H new ATOM 0 HE3 MET A 3 -8.990 -19.834 -19.058 1.00 3.66 H new ATOM 38 N SER A 4 -6.642 -25.379 -18.408 1.00 2.34 N ATOM 39 CA SER A 4 -6.208 -26.666 -17.774 1.00 2.37 C ATOM 40 C SER A 4 -4.713 -26.900 -18.003 1.00 2.04 C ATOM 41 O SER A 4 -3.965 -27.149 -17.076 1.00 2.04 O ATOM 42 CB SER A 4 -7.047 -27.762 -18.439 1.00 2.80 C ATOM 43 OG SER A 4 -7.446 -28.707 -17.455 1.00 3.12 O ATOM 0 H SER A 4 -6.854 -24.633 -17.746 1.00 2.34 H new ATOM 0 HA SER A 4 -6.358 -26.656 -16.694 1.00 2.37 H new ATOM 0 HB2 SER A 4 -7.924 -27.325 -18.918 1.00 2.80 H new ATOM 0 HB3 SER A 4 -6.469 -28.255 -19.221 1.00 2.80 H new ATOM 0 HG SER A 4 -7.985 -29.409 -17.875 1.00 3.12 H new ATOM 49 N ILE A 5 -4.275 -26.803 -19.232 1.00 1.96 N ATOM 50 CA ILE A 5 -2.827 -27.005 -19.565 1.00 1.85 C ATOM 51 C ILE A 5 -1.932 -26.181 -18.635 1.00 1.60 C ATOM 52 O ILE A 5 -0.939 -26.657 -18.124 1.00 1.65 O ATOM 53 CB ILE A 5 -2.701 -26.536 -21.019 1.00 2.03 C ATOM 54 CG1 ILE A 5 -3.208 -25.086 -21.171 1.00 1.98 C ATOM 55 CG2 ILE A 5 -3.531 -27.467 -21.906 1.00 2.40 C ATOM 56 CD1 ILE A 5 -3.819 -24.880 -22.558 1.00 2.38 C ATOM 0 H ILE A 5 -4.868 -26.589 -20.034 1.00 1.96 H new ATOM 0 HA ILE A 5 -2.511 -28.040 -19.439 1.00 1.85 H new ATOM 0 HB ILE A 5 -1.653 -26.564 -21.317 1.00 2.03 H new ATOM 0 HG12 ILE A 5 -3.951 -24.871 -20.403 1.00 1.98 H new ATOM 0 HG13 ILE A 5 -2.384 -24.388 -21.022 1.00 1.98 H new ATOM 0 HG21 ILE A 5 -3.452 -27.146 -22.945 1.00 2.40 H new ATOM 0 HG22 ILE A 5 -3.158 -28.487 -21.812 1.00 2.40 H new ATOM 0 HG23 ILE A 5 -4.575 -27.432 -21.594 1.00 2.40 H new ATOM 0 HD11 ILE A 5 -4.172 -23.853 -22.651 1.00 2.38 H new ATOM 0 HD12 ILE A 5 -3.065 -25.075 -23.320 1.00 2.38 H new ATOM 0 HD13 ILE A 5 -4.656 -25.565 -22.692 1.00 2.38 H new ATOM 68 N MET A 6 -2.300 -24.962 -18.405 1.00 1.44 N ATOM 69 CA MET A 6 -1.504 -24.087 -17.489 1.00 1.33 C ATOM 70 C MET A 6 -2.407 -23.526 -16.377 1.00 1.23 C ATOM 71 O MET A 6 -2.236 -22.409 -15.915 1.00 1.27 O ATOM 72 CB MET A 6 -0.949 -22.969 -18.376 1.00 1.48 C ATOM 73 CG MET A 6 0.541 -23.216 -18.620 1.00 1.76 C ATOM 74 SD MET A 6 1.512 -22.294 -17.401 1.00 2.18 S ATOM 75 CE MET A 6 3.078 -23.174 -17.635 1.00 2.64 C ATOM 0 H MET A 6 -3.125 -24.521 -18.812 1.00 1.44 H new ATOM 0 HA MET A 6 -0.700 -24.629 -16.991 1.00 1.33 H new ATOM 0 HB2 MET A 6 -1.486 -22.940 -19.324 1.00 1.48 H new ATOM 0 HB3 MET A 6 -1.096 -22.001 -17.897 1.00 1.48 H new ATOM 0 HG2 MET A 6 0.761 -24.281 -18.546 1.00 1.76 H new ATOM 0 HG3 MET A 6 0.812 -22.904 -19.628 1.00 1.76 H new ATOM 0 HE1 MET A 6 3.832 -22.758 -16.967 1.00 2.64 H new ATOM 0 HE2 MET A 6 2.938 -24.231 -17.411 1.00 2.64 H new ATOM 0 HE3 MET A 6 3.407 -23.063 -18.668 1.00 2.64 H new ATOM 85 N ASP A 7 -3.357 -24.308 -15.936 1.00 1.26 N ATOM 86 CA ASP A 7 -4.280 -23.862 -14.844 1.00 1.37 C ATOM 87 C ASP A 7 -4.185 -24.824 -13.650 1.00 1.49 C ATOM 88 O ASP A 7 -4.977 -24.769 -12.730 1.00 1.76 O ATOM 89 CB ASP A 7 -5.674 -23.920 -15.472 1.00 1.54 C ATOM 90 CG ASP A 7 -5.859 -22.728 -16.403 1.00 1.55 C ATOM 91 OD1 ASP A 7 -5.941 -21.617 -15.901 1.00 1.45 O ATOM 92 OD2 ASP A 7 -5.894 -22.938 -17.599 1.00 1.83 O ATOM 0 H ASP A 7 -3.537 -25.248 -16.288 1.00 1.26 H new ATOM 0 HA ASP A 7 -4.039 -22.867 -14.469 1.00 1.37 H new ATOM 0 HB2 ASP A 7 -5.797 -24.851 -16.026 1.00 1.54 H new ATOM 0 HB3 ASP A 7 -6.437 -23.909 -14.693 1.00 1.54 H new ATOM 97 N HIS A 8 -3.217 -25.706 -13.670 1.00 1.40 N ATOM 98 CA HIS A 8 -3.054 -26.687 -12.559 1.00 1.56 C ATOM 99 C HIS A 8 -1.899 -26.267 -11.634 1.00 1.46 C ATOM 100 O HIS A 8 -0.999 -27.038 -11.366 1.00 1.58 O ATOM 101 CB HIS A 8 -2.732 -28.003 -13.282 1.00 1.79 C ATOM 102 CG HIS A 8 -3.357 -29.154 -12.552 1.00 2.49 C ATOM 103 ND1 HIS A 8 -3.130 -29.392 -11.210 1.00 3.38 N ATOM 104 CD2 HIS A 8 -4.205 -30.145 -12.970 1.00 2.75 C ATOM 105 CE1 HIS A 8 -3.832 -30.491 -10.870 1.00 3.96 C ATOM 106 NE2 HIS A 8 -4.503 -30.989 -11.909 1.00 3.61 N ATOM 0 H HIS A 8 -2.527 -25.787 -14.417 1.00 1.40 H new ATOM 0 HA HIS A 8 -3.936 -26.764 -11.923 1.00 1.56 H new ATOM 0 HB2 HIS A 8 -3.104 -27.966 -14.306 1.00 1.79 H new ATOM 0 HB3 HIS A 8 -1.652 -28.141 -13.340 1.00 1.79 H new ATOM 0 HD2 HIS A 8 -4.585 -30.254 -13.975 1.00 2.75 H new ATOM 0 HE1 HIS A 8 -3.849 -30.916 -9.877 1.00 3.96 H new ATOM 0 HE2 HIS A 8 -5.105 -31.812 -11.922 1.00 3.61 H new ATOM 114 N SER A 9 -1.914 -25.048 -11.149 1.00 1.41 N ATOM 115 CA SER A 9 -0.810 -24.582 -10.247 1.00 1.51 C ATOM 116 C SER A 9 -0.793 -25.385 -8.936 1.00 1.73 C ATOM 117 O SER A 9 -1.823 -25.585 -8.318 1.00 1.80 O ATOM 118 CB SER A 9 -1.095 -23.105 -9.965 1.00 1.49 C ATOM 119 OG SER A 9 -0.246 -22.300 -10.778 1.00 2.15 O ATOM 0 H SER A 9 -2.640 -24.357 -11.337 1.00 1.41 H new ATOM 0 HA SER A 9 0.165 -24.723 -10.713 1.00 1.51 H new ATOM 0 HB2 SER A 9 -2.140 -22.878 -10.174 1.00 1.49 H new ATOM 0 HB3 SER A 9 -0.925 -22.884 -8.911 1.00 1.49 H new ATOM 0 HG SER A 9 -0.426 -21.353 -10.602 1.00 2.15 H new ATOM 125 N PRO A 10 0.390 -25.811 -8.549 1.00 1.92 N ATOM 126 CA PRO A 10 0.554 -26.593 -7.294 1.00 2.20 C ATOM 127 C PRO A 10 0.341 -25.699 -6.064 1.00 2.08 C ATOM 128 O PRO A 10 0.485 -24.490 -6.127 1.00 2.04 O ATOM 129 CB PRO A 10 2.000 -27.084 -7.366 1.00 2.50 C ATOM 130 CG PRO A 10 2.696 -26.108 -8.257 1.00 2.36 C ATOM 131 CD PRO A 10 1.673 -25.606 -9.238 1.00 2.01 C ATOM 0 HA PRO A 10 -0.166 -27.406 -7.201 1.00 2.20 H new ATOM 0 HB2 PRO A 10 2.457 -27.111 -6.377 1.00 2.50 H new ATOM 0 HB3 PRO A 10 2.054 -28.095 -7.770 1.00 2.50 H new ATOM 0 HG2 PRO A 10 3.112 -25.284 -7.677 1.00 2.36 H new ATOM 0 HG3 PRO A 10 3.528 -26.584 -8.776 1.00 2.36 H new ATOM 0 HD2 PRO A 10 1.833 -24.555 -9.479 1.00 2.01 H new ATOM 0 HD3 PRO A 10 1.715 -26.159 -10.177 1.00 2.01 H new ATOM 139 N THR A 11 0.009 -26.292 -4.940 1.00 2.07 N ATOM 140 CA THR A 11 -0.206 -25.486 -3.691 1.00 2.01 C ATOM 141 C THR A 11 1.014 -24.595 -3.415 1.00 1.98 C ATOM 142 O THR A 11 0.881 -23.466 -2.987 1.00 1.92 O ATOM 143 CB THR A 11 -0.419 -26.513 -2.563 1.00 2.10 C ATOM 144 OG1 THR A 11 -0.742 -25.831 -1.360 1.00 2.16 O ATOM 145 CG2 THR A 11 0.848 -27.345 -2.347 1.00 2.21 C ATOM 0 H THR A 11 -0.122 -27.298 -4.832 1.00 2.07 H new ATOM 0 HA THR A 11 -1.063 -24.818 -3.777 1.00 2.01 H new ATOM 0 HB THR A 11 -1.234 -27.179 -2.845 1.00 2.10 H new ATOM 0 HG1 THR A 11 -0.879 -26.483 -0.641 1.00 2.16 H new ATOM 0 HG21 THR A 11 0.678 -28.065 -1.546 1.00 2.21 H new ATOM 0 HG22 THR A 11 1.096 -27.876 -3.266 1.00 2.21 H new ATOM 0 HG23 THR A 11 1.673 -26.687 -2.075 1.00 2.21 H new ATOM 153 N THR A 12 2.200 -25.078 -3.691 1.00 2.05 N ATOM 154 CA THR A 12 3.426 -24.249 -3.473 1.00 2.09 C ATOM 155 C THR A 12 3.413 -23.035 -4.405 1.00 2.08 C ATOM 156 O THR A 12 3.855 -21.959 -4.047 1.00 2.08 O ATOM 157 CB THR A 12 4.603 -25.171 -3.815 1.00 2.26 C ATOM 158 OG1 THR A 12 4.243 -26.023 -4.895 1.00 2.34 O ATOM 159 CG2 THR A 12 4.965 -26.021 -2.597 1.00 2.35 C ATOM 0 H THR A 12 2.373 -26.014 -4.059 1.00 2.05 H new ATOM 0 HA THR A 12 3.489 -23.871 -2.453 1.00 2.09 H new ATOM 0 HB THR A 12 5.462 -24.564 -4.100 1.00 2.26 H new ATOM 0 HG1 THR A 12 4.996 -26.610 -5.114 1.00 2.34 H new ATOM 0 HG21 THR A 12 5.802 -26.674 -2.845 1.00 2.35 H new ATOM 0 HG22 THR A 12 5.246 -25.370 -1.769 1.00 2.35 H new ATOM 0 HG23 THR A 12 4.106 -26.626 -2.307 1.00 2.35 H new ATOM 167 N GLY A 13 2.898 -23.204 -5.594 1.00 2.10 N ATOM 168 CA GLY A 13 2.836 -22.073 -6.568 1.00 2.14 C ATOM 169 C GLY A 13 1.815 -21.040 -6.092 1.00 2.01 C ATOM 170 O GLY A 13 2.140 -19.883 -5.900 1.00 1.99 O ATOM 0 H GLY A 13 2.514 -24.085 -5.936 1.00 2.10 H new ATOM 0 HA2 GLY A 13 3.818 -21.610 -6.666 1.00 2.14 H new ATOM 0 HA3 GLY A 13 2.559 -22.445 -7.555 1.00 2.14 H new ATOM 174 N VAL A 14 0.583 -21.449 -5.892 1.00 1.96 N ATOM 175 CA VAL A 14 -0.457 -20.486 -5.418 1.00 1.89 C ATOM 176 C VAL A 14 -0.052 -19.891 -4.061 1.00 1.76 C ATOM 177 O VAL A 14 -0.311 -18.735 -3.788 1.00 1.72 O ATOM 178 CB VAL A 14 -1.763 -21.289 -5.310 1.00 1.94 C ATOM 179 CG1 VAL A 14 -2.199 -21.750 -6.701 1.00 2.12 C ATOM 180 CG2 VAL A 14 -1.573 -22.514 -4.413 1.00 1.94 C ATOM 0 H VAL A 14 0.256 -22.404 -6.037 1.00 1.96 H new ATOM 0 HA VAL A 14 -0.575 -19.647 -6.103 1.00 1.89 H new ATOM 0 HB VAL A 14 -2.527 -20.646 -4.873 1.00 1.94 H new ATOM 0 HG11 VAL A 14 -3.125 -22.319 -6.622 1.00 2.12 H new ATOM 0 HG12 VAL A 14 -2.361 -20.881 -7.338 1.00 2.12 H new ATOM 0 HG13 VAL A 14 -1.422 -22.379 -7.136 1.00 2.12 H new ATOM 0 HG21 VAL A 14 -2.510 -23.068 -4.350 1.00 1.94 H new ATOM 0 HG22 VAL A 14 -0.799 -23.156 -4.833 1.00 1.94 H new ATOM 0 HG23 VAL A 14 -1.275 -22.192 -3.415 1.00 1.94 H new ATOM 190 N VAL A 15 0.606 -20.652 -3.220 1.00 1.75 N ATOM 191 CA VAL A 15 1.043 -20.094 -1.902 1.00 1.70 C ATOM 192 C VAL A 15 2.186 -19.103 -2.131 1.00 1.73 C ATOM 193 O VAL A 15 2.220 -18.036 -1.552 1.00 1.70 O ATOM 194 CB VAL A 15 1.503 -21.301 -1.070 1.00 1.75 C ATOM 195 CG1 VAL A 15 2.360 -20.829 0.109 1.00 1.83 C ATOM 196 CG2 VAL A 15 0.279 -22.044 -0.530 1.00 1.78 C ATOM 0 H VAL A 15 0.857 -21.626 -3.387 1.00 1.75 H new ATOM 0 HA VAL A 15 0.248 -19.556 -1.387 1.00 1.70 H new ATOM 0 HB VAL A 15 2.092 -21.964 -1.704 1.00 1.75 H new ATOM 0 HG11 VAL A 15 2.682 -21.691 0.693 1.00 1.83 H new ATOM 0 HG12 VAL A 15 3.235 -20.298 -0.267 1.00 1.83 H new ATOM 0 HG13 VAL A 15 1.774 -20.161 0.740 1.00 1.83 H new ATOM 0 HG21 VAL A 15 0.604 -22.901 0.060 1.00 1.78 H new ATOM 0 HG22 VAL A 15 -0.307 -21.372 0.097 1.00 1.78 H new ATOM 0 HG23 VAL A 15 -0.334 -22.389 -1.363 1.00 1.78 H new ATOM 206 N THR A 16 3.107 -19.447 -2.992 1.00 1.84 N ATOM 207 CA THR A 16 4.250 -18.524 -3.289 1.00 1.95 C ATOM 208 C THR A 16 3.717 -17.196 -3.817 1.00 1.92 C ATOM 209 O THR A 16 4.056 -16.138 -3.317 1.00 1.92 O ATOM 210 CB THR A 16 5.097 -19.226 -4.357 1.00 2.14 C ATOM 211 OG1 THR A 16 5.653 -20.412 -3.812 1.00 2.20 O ATOM 212 CG2 THR A 16 6.230 -18.305 -4.808 1.00 2.32 C ATOM 0 H THR A 16 3.120 -20.328 -3.505 1.00 1.84 H new ATOM 0 HA THR A 16 4.840 -18.310 -2.398 1.00 1.95 H new ATOM 0 HB THR A 16 4.465 -19.470 -5.211 1.00 2.14 H new ATOM 0 HG1 THR A 16 4.937 -21.056 -3.632 1.00 2.20 H new ATOM 0 HG21 THR A 16 6.828 -18.809 -5.567 1.00 2.32 H new ATOM 0 HG22 THR A 16 5.811 -17.390 -5.226 1.00 2.32 H new ATOM 0 HG23 THR A 16 6.860 -18.058 -3.954 1.00 2.32 H new ATOM 220 N VAL A 17 2.874 -17.241 -4.814 1.00 1.92 N ATOM 221 CA VAL A 17 2.308 -15.976 -5.365 1.00 1.94 C ATOM 222 C VAL A 17 1.457 -15.278 -4.300 1.00 1.78 C ATOM 223 O VAL A 17 1.517 -14.078 -4.158 1.00 1.78 O ATOM 224 CB VAL A 17 1.464 -16.360 -6.586 1.00 2.04 C ATOM 225 CG1 VAL A 17 2.354 -17.015 -7.645 1.00 2.24 C ATOM 226 CG2 VAL A 17 0.348 -17.331 -6.196 1.00 1.97 C ATOM 0 H VAL A 17 2.554 -18.096 -5.269 1.00 1.92 H new ATOM 0 HA VAL A 17 3.095 -15.280 -5.656 1.00 1.94 H new ATOM 0 HB VAL A 17 1.014 -15.452 -6.988 1.00 2.04 H new ATOM 0 HG11 VAL A 17 1.750 -17.286 -8.511 1.00 2.24 H new ATOM 0 HG12 VAL A 17 3.132 -16.315 -7.950 1.00 2.24 H new ATOM 0 HG13 VAL A 17 2.815 -17.911 -7.229 1.00 2.24 H new ATOM 0 HG21 VAL A 17 -0.236 -17.588 -7.080 1.00 1.97 H new ATOM 0 HG22 VAL A 17 0.784 -18.236 -5.774 1.00 1.97 H new ATOM 0 HG23 VAL A 17 -0.301 -16.862 -5.456 1.00 1.97 H new ATOM 236 N ILE A 18 0.687 -16.013 -3.530 1.00 1.67 N ATOM 237 CA ILE A 18 -0.134 -15.356 -2.463 1.00 1.58 C ATOM 238 C ILE A 18 0.790 -14.702 -1.445 1.00 1.54 C ATOM 239 O ILE A 18 0.557 -13.593 -1.022 1.00 1.52 O ATOM 240 CB ILE A 18 -0.967 -16.484 -1.828 1.00 1.58 C ATOM 241 CG1 ILE A 18 -2.171 -16.804 -2.727 1.00 1.67 C ATOM 242 CG2 ILE A 18 -1.468 -16.067 -0.436 1.00 1.61 C ATOM 243 CD1 ILE A 18 -3.156 -15.629 -2.735 1.00 1.77 C ATOM 0 H ILE A 18 0.592 -17.027 -3.593 1.00 1.67 H new ATOM 0 HA ILE A 18 -0.783 -14.572 -2.853 1.00 1.58 H new ATOM 0 HB ILE A 18 -0.336 -17.367 -1.726 1.00 1.58 H new ATOM 0 HG12 ILE A 18 -1.831 -17.009 -3.742 1.00 1.67 H new ATOM 0 HG13 ILE A 18 -2.671 -17.704 -2.370 1.00 1.67 H new ATOM 0 HG21 ILE A 18 -2.055 -16.877 -0.003 1.00 1.61 H new ATOM 0 HG22 ILE A 18 -0.615 -15.852 0.208 1.00 1.61 H new ATOM 0 HG23 ILE A 18 -2.090 -15.176 -0.525 1.00 1.61 H new ATOM 0 HD11 ILE A 18 -4.004 -15.870 -3.376 1.00 1.77 H new ATOM 0 HD12 ILE A 18 -3.509 -15.443 -1.721 1.00 1.77 H new ATOM 0 HD13 ILE A 18 -2.656 -14.738 -3.114 1.00 1.77 H new ATOM 255 N VAL A 19 1.840 -15.370 -1.065 1.00 1.59 N ATOM 256 CA VAL A 19 2.788 -14.772 -0.076 1.00 1.64 C ATOM 257 C VAL A 19 3.446 -13.521 -0.665 1.00 1.71 C ATOM 258 O VAL A 19 3.556 -12.508 -0.002 1.00 1.71 O ATOM 259 CB VAL A 19 3.822 -15.865 0.224 1.00 1.76 C ATOM 260 CG1 VAL A 19 5.029 -15.261 0.946 1.00 1.92 C ATOM 261 CG2 VAL A 19 3.190 -16.931 1.121 1.00 1.77 C ATOM 0 H VAL A 19 2.087 -16.304 -1.393 1.00 1.59 H new ATOM 0 HA VAL A 19 2.284 -14.455 0.837 1.00 1.64 H new ATOM 0 HB VAL A 19 4.147 -16.312 -0.716 1.00 1.76 H new ATOM 0 HG11 VAL A 19 5.758 -16.044 1.155 1.00 1.92 H new ATOM 0 HG12 VAL A 19 5.486 -14.499 0.315 1.00 1.92 H new ATOM 0 HG13 VAL A 19 4.704 -14.809 1.883 1.00 1.92 H new ATOM 0 HG21 VAL A 19 3.924 -17.708 1.335 1.00 1.77 H new ATOM 0 HG22 VAL A 19 2.863 -16.474 2.055 1.00 1.77 H new ATOM 0 HG23 VAL A 19 2.332 -17.372 0.613 1.00 1.77 H new ATOM 271 N ILE A 20 3.868 -13.554 -1.902 1.00 1.80 N ATOM 272 CA ILE A 20 4.484 -12.330 -2.480 1.00 1.92 C ATOM 273 C ILE A 20 3.396 -11.284 -2.736 1.00 1.83 C ATOM 274 O ILE A 20 3.619 -10.102 -2.564 1.00 1.88 O ATOM 275 CB ILE A 20 5.192 -12.760 -3.774 1.00 2.10 C ATOM 276 CG1 ILE A 20 4.189 -13.333 -4.779 1.00 2.07 C ATOM 277 CG2 ILE A 20 6.249 -13.821 -3.457 1.00 2.22 C ATOM 278 CD1 ILE A 20 4.795 -13.296 -6.183 1.00 2.40 C ATOM 0 H ILE A 20 3.814 -14.360 -2.525 1.00 1.80 H new ATOM 0 HA ILE A 20 5.207 -11.873 -1.804 1.00 1.92 H new ATOM 0 HB ILE A 20 5.666 -11.882 -4.212 1.00 2.10 H new ATOM 0 HG12 ILE A 20 3.933 -14.357 -4.509 1.00 2.07 H new ATOM 0 HG13 ILE A 20 3.264 -12.756 -4.755 1.00 2.07 H new ATOM 0 HG21 ILE A 20 6.749 -14.123 -4.377 1.00 2.22 H new ATOM 0 HG22 ILE A 20 6.983 -13.408 -2.765 1.00 2.22 H new ATOM 0 HG23 ILE A 20 5.769 -14.688 -3.003 1.00 2.22 H new ATOM 0 HD11 ILE A 20 4.081 -13.704 -6.898 1.00 2.40 H new ATOM 0 HD12 ILE A 20 5.029 -12.266 -6.451 1.00 2.40 H new ATOM 0 HD13 ILE A 20 5.708 -13.892 -6.201 1.00 2.40 H new ATOM 290 N LEU A 21 2.212 -11.705 -3.111 1.00 1.74 N ATOM 291 CA LEU A 21 1.115 -10.718 -3.339 1.00 1.71 C ATOM 292 C LEU A 21 0.685 -10.112 -1.994 1.00 1.59 C ATOM 293 O LEU A 21 0.553 -8.907 -1.877 1.00 1.61 O ATOM 294 CB LEU A 21 -0.020 -11.498 -4.042 1.00 1.73 C ATOM 295 CG LEU A 21 -1.313 -11.485 -3.216 1.00 1.64 C ATOM 296 CD1 LEU A 21 -1.964 -10.103 -3.288 1.00 1.73 C ATOM 297 CD2 LEU A 21 -2.279 -12.522 -3.786 1.00 1.71 C ATOM 0 H LEU A 21 1.961 -12.681 -3.267 1.00 1.74 H new ATOM 0 HA LEU A 21 1.419 -9.878 -3.964 1.00 1.71 H new ATOM 0 HB2 LEU A 21 -0.210 -11.060 -5.022 1.00 1.73 H new ATOM 0 HB3 LEU A 21 0.295 -12.528 -4.209 1.00 1.73 H new ATOM 0 HG LEU A 21 -1.080 -11.719 -2.177 1.00 1.64 H new ATOM 0 HD11 LEU A 21 -2.881 -10.102 -2.699 1.00 1.73 H new ATOM 0 HD12 LEU A 21 -1.277 -9.356 -2.891 1.00 1.73 H new ATOM 0 HD13 LEU A 21 -2.199 -9.865 -4.325 1.00 1.73 H new ATOM 0 HD21 LEU A 21 -3.201 -12.519 -3.204 1.00 1.71 H new ATOM 0 HD22 LEU A 21 -2.504 -12.278 -4.824 1.00 1.71 H new ATOM 0 HD23 LEU A 21 -1.822 -13.510 -3.737 1.00 1.71 H new ATOM 309 N ILE A 22 0.495 -10.912 -0.963 1.00 1.51 N ATOM 310 CA ILE A 22 0.110 -10.309 0.350 1.00 1.47 C ATOM 311 C ILE A 22 1.246 -9.415 0.843 1.00 1.53 C ATOM 312 O ILE A 22 1.025 -8.343 1.367 1.00 1.54 O ATOM 313 CB ILE A 22 -0.136 -11.467 1.326 1.00 1.47 C ATOM 314 CG1 ILE A 22 1.050 -12.431 1.364 1.00 1.52 C ATOM 315 CG2 ILE A 22 -1.384 -12.234 0.906 1.00 1.49 C ATOM 316 CD1 ILE A 22 1.881 -12.180 2.623 1.00 1.60 C ATOM 0 H ILE A 22 0.588 -11.928 -0.976 1.00 1.51 H new ATOM 0 HA ILE A 22 -0.788 -9.697 0.264 1.00 1.47 H new ATOM 0 HB ILE A 22 -0.267 -11.042 2.321 1.00 1.47 H new ATOM 0 HG12 ILE A 22 0.694 -13.461 1.352 1.00 1.52 H new ATOM 0 HG13 ILE A 22 1.668 -12.297 0.476 1.00 1.52 H new ATOM 0 HG21 ILE A 22 -1.557 -13.056 1.601 1.00 1.49 H new ATOM 0 HG22 ILE A 22 -2.244 -11.564 0.916 1.00 1.49 H new ATOM 0 HG23 ILE A 22 -1.246 -12.632 -0.099 1.00 1.49 H new ATOM 0 HD11 ILE A 22 2.725 -12.869 2.645 1.00 1.60 H new ATOM 0 HD12 ILE A 22 2.250 -11.154 2.617 1.00 1.60 H new ATOM 0 HD13 ILE A 22 1.261 -12.337 3.506 1.00 1.60 H new ATOM 328 N ALA A 23 2.460 -9.854 0.659 1.00 1.63 N ATOM 329 CA ALA A 23 3.635 -9.038 1.096 1.00 1.78 C ATOM 330 C ALA A 23 3.681 -7.700 0.340 1.00 1.83 C ATOM 331 O ALA A 23 3.791 -6.652 0.951 1.00 1.86 O ATOM 332 CB ALA A 23 4.870 -9.885 0.779 1.00 1.93 C ATOM 0 H ALA A 23 2.693 -10.746 0.223 1.00 1.63 H new ATOM 0 HA ALA A 23 3.580 -8.793 2.157 1.00 1.78 H new ATOM 0 HB1 ALA A 23 5.768 -9.344 1.076 1.00 1.93 H new ATOM 0 HB2 ALA A 23 4.816 -10.826 1.326 1.00 1.93 H new ATOM 0 HB3 ALA A 23 4.906 -10.089 -0.291 1.00 1.93 H new ATOM 338 N ILE A 24 3.582 -7.709 -0.975 1.00 1.86 N ATOM 339 CA ILE A 24 3.610 -6.409 -1.717 1.00 1.96 C ATOM 340 C ILE A 24 2.386 -5.577 -1.320 1.00 1.84 C ATOM 341 O ILE A 24 2.468 -4.372 -1.170 1.00 1.91 O ATOM 342 CB ILE A 24 3.601 -6.757 -3.215 1.00 2.08 C ATOM 343 CG1 ILE A 24 2.304 -7.475 -3.602 1.00 1.97 C ATOM 344 CG2 ILE A 24 4.790 -7.660 -3.541 1.00 2.22 C ATOM 345 CD1 ILE A 24 2.173 -7.509 -5.126 1.00 2.16 C ATOM 0 H ILE A 24 3.485 -8.544 -1.552 1.00 1.86 H new ATOM 0 HA ILE A 24 4.494 -5.817 -1.481 1.00 1.96 H new ATOM 0 HB ILE A 24 3.671 -5.828 -3.781 1.00 2.08 H new ATOM 0 HG12 ILE A 24 2.305 -8.490 -3.204 1.00 1.97 H new ATOM 0 HG13 ILE A 24 1.448 -6.962 -3.164 1.00 1.97 H new ATOM 0 HG21 ILE A 24 4.781 -7.905 -4.603 1.00 2.22 H new ATOM 0 HG22 ILE A 24 5.718 -7.143 -3.296 1.00 2.22 H new ATOM 0 HG23 ILE A 24 4.721 -8.578 -2.957 1.00 2.22 H new ATOM 0 HD11 ILE A 24 1.250 -8.020 -5.401 1.00 2.16 H new ATOM 0 HD12 ILE A 24 2.152 -6.490 -5.512 1.00 2.16 H new ATOM 0 HD13 ILE A 24 3.023 -8.041 -5.552 1.00 2.16 H new ATOM 357 N ALA A 25 1.262 -6.220 -1.111 1.00 1.69 N ATOM 358 CA ALA A 25 0.040 -5.474 -0.681 1.00 1.62 C ATOM 359 C ALA A 25 0.279 -4.884 0.709 1.00 1.59 C ATOM 360 O ALA A 25 -0.010 -3.731 0.964 1.00 1.62 O ATOM 361 CB ALA A 25 -1.090 -6.512 -0.657 1.00 1.56 C ATOM 0 H ALA A 25 1.139 -7.227 -1.220 1.00 1.69 H new ATOM 0 HA ALA A 25 -0.208 -4.648 -1.348 1.00 1.62 H new ATOM 0 HB1 ALA A 25 -2.019 -6.032 -0.349 1.00 1.56 H new ATOM 0 HB2 ALA A 25 -1.214 -6.937 -1.653 1.00 1.56 H new ATOM 0 HB3 ALA A 25 -0.841 -7.305 0.048 1.00 1.56 H new ATOM 367 N ALA A 26 0.837 -5.665 1.598 1.00 1.59 N ATOM 368 CA ALA A 26 1.137 -5.152 2.968 1.00 1.65 C ATOM 369 C ALA A 26 2.161 -4.018 2.856 1.00 1.77 C ATOM 370 O ALA A 26 2.007 -2.973 3.457 1.00 1.81 O ATOM 371 CB ALA A 26 1.714 -6.346 3.734 1.00 1.71 C ATOM 0 H ALA A 26 1.098 -6.637 1.434 1.00 1.59 H new ATOM 0 HA ALA A 26 0.260 -4.754 3.478 1.00 1.65 H new ATOM 0 HB1 ALA A 26 1.958 -6.042 4.752 1.00 1.71 H new ATOM 0 HB2 ALA A 26 0.979 -7.150 3.762 1.00 1.71 H new ATOM 0 HB3 ALA A 26 2.617 -6.697 3.234 1.00 1.71 H new ATOM 377 N LEU A 27 3.186 -4.206 2.057 1.00 1.86 N ATOM 378 CA LEU A 27 4.200 -3.127 1.870 1.00 2.02 C ATOM 379 C LEU A 27 3.508 -1.892 1.273 1.00 1.98 C ATOM 380 O LEU A 27 3.705 -0.779 1.726 1.00 2.04 O ATOM 381 CB LEU A 27 5.226 -3.714 0.893 1.00 2.16 C ATOM 382 CG LEU A 27 6.118 -2.599 0.342 1.00 2.36 C ATOM 383 CD1 LEU A 27 7.583 -3.019 0.440 1.00 2.64 C ATOM 384 CD2 LEU A 27 5.762 -2.344 -1.125 1.00 2.45 C ATOM 0 H LEU A 27 3.361 -5.061 1.528 1.00 1.86 H new ATOM 0 HA LEU A 27 4.676 -2.815 2.800 1.00 2.02 H new ATOM 0 HB2 LEU A 27 5.836 -4.463 1.399 1.00 2.16 H new ATOM 0 HB3 LEU A 27 4.714 -4.220 0.075 1.00 2.16 H new ATOM 0 HG LEU A 27 5.962 -1.690 0.922 1.00 2.36 H new ATOM 0 HD11 LEU A 27 8.217 -2.224 0.047 1.00 2.64 H new ATOM 0 HD12 LEU A 27 7.839 -3.205 1.483 1.00 2.64 H new ATOM 0 HD13 LEU A 27 7.740 -3.928 -0.140 1.00 2.64 H new ATOM 0 HD21 LEU A 27 6.396 -1.550 -1.520 1.00 2.45 H new ATOM 0 HD22 LEU A 27 5.920 -3.256 -1.701 1.00 2.45 H new ATOM 0 HD23 LEU A 27 4.717 -2.044 -1.199 1.00 2.45 H new ATOM 396 N GLY A 28 2.674 -2.093 0.274 1.00 1.91 N ATOM 397 CA GLY A 28 1.938 -0.945 -0.338 1.00 1.90 C ATOM 398 C GLY A 28 1.070 -0.290 0.735 1.00 1.80 C ATOM 399 O GLY A 28 1.041 0.918 0.868 1.00 1.85 O ATOM 0 H GLY A 28 2.475 -3.004 -0.140 1.00 1.91 H new ATOM 0 HA2 GLY A 28 2.642 -0.221 -0.748 1.00 1.90 H new ATOM 0 HA3 GLY A 28 1.319 -1.291 -1.165 1.00 1.90 H new ATOM 403 N ALA A 29 0.378 -1.084 1.521 1.00 1.70 N ATOM 404 CA ALA A 29 -0.474 -0.513 2.608 1.00 1.67 C ATOM 405 C ALA A 29 0.405 0.205 3.634 1.00 1.79 C ATOM 406 O ALA A 29 0.085 1.283 4.092 1.00 1.84 O ATOM 407 CB ALA A 29 -1.186 -1.715 3.238 1.00 1.63 C ATOM 0 H ALA A 29 0.369 -2.102 1.454 1.00 1.70 H new ATOM 0 HA ALA A 29 -1.189 0.220 2.235 1.00 1.67 H new ATOM 0 HB1 ALA A 29 -1.832 -1.373 4.047 1.00 1.63 H new ATOM 0 HB2 ALA A 29 -1.788 -2.219 2.482 1.00 1.63 H new ATOM 0 HB3 ALA A 29 -0.446 -2.410 3.634 1.00 1.63 H new ATOM 413 N LEU A 30 1.523 -0.379 3.971 1.00 1.87 N ATOM 414 CA LEU A 30 2.454 0.269 4.945 1.00 2.04 C ATOM 415 C LEU A 30 2.912 1.618 4.378 1.00 2.11 C ATOM 416 O LEU A 30 2.972 2.613 5.080 1.00 2.20 O ATOM 417 CB LEU A 30 3.632 -0.701 5.079 1.00 2.16 C ATOM 418 CG LEU A 30 3.342 -1.705 6.196 1.00 2.22 C ATOM 419 CD1 LEU A 30 4.187 -2.963 5.986 1.00 2.28 C ATOM 420 CD2 LEU A 30 3.696 -1.077 7.545 1.00 2.51 C ATOM 0 H LEU A 30 1.835 -1.282 3.613 1.00 1.87 H new ATOM 0 HA LEU A 30 1.993 0.463 5.913 1.00 2.04 H new ATOM 0 HB2 LEU A 30 3.794 -1.225 4.137 1.00 2.16 H new ATOM 0 HB3 LEU A 30 4.547 -0.151 5.299 1.00 2.16 H new ATOM 0 HG LEU A 30 2.285 -1.971 6.180 1.00 2.22 H new ATOM 0 HD11 LEU A 30 3.980 -3.678 6.782 1.00 2.28 H new ATOM 0 HD12 LEU A 30 3.940 -3.411 5.023 1.00 2.28 H new ATOM 0 HD13 LEU A 30 5.244 -2.698 6.002 1.00 2.28 H new ATOM 0 HD21 LEU A 30 3.490 -1.790 8.343 1.00 2.51 H new ATOM 0 HD22 LEU A 30 4.754 -0.813 7.557 1.00 2.51 H new ATOM 0 HD23 LEU A 30 3.097 -0.179 7.697 1.00 2.51 H new ATOM 432 N ILE A 31 3.201 1.660 3.099 1.00 2.10 N ATOM 433 CA ILE A 31 3.625 2.943 2.460 1.00 2.20 C ATOM 434 C ILE A 31 2.424 3.894 2.405 1.00 2.10 C ATOM 435 O ILE A 31 2.517 5.043 2.786 1.00 2.18 O ATOM 436 CB ILE A 31 4.084 2.554 1.047 1.00 2.25 C ATOM 437 CG1 ILE A 31 5.422 1.810 1.128 1.00 2.41 C ATOM 438 CG2 ILE A 31 4.257 3.810 0.187 1.00 2.38 C ATOM 439 CD1 ILE A 31 5.718 1.145 -0.217 1.00 2.50 C ATOM 0 H ILE A 31 3.161 0.858 2.470 1.00 2.10 H new ATOM 0 HA ILE A 31 4.420 3.451 3.007 1.00 2.20 H new ATOM 0 HB ILE A 31 3.330 1.909 0.595 1.00 2.25 H new ATOM 0 HG12 ILE A 31 6.221 2.505 1.386 1.00 2.41 H new ATOM 0 HG13 ILE A 31 5.385 1.059 1.917 1.00 2.41 H new ATOM 0 HG21 ILE A 31 4.583 3.524 -0.813 1.00 2.38 H new ATOM 0 HG22 ILE A 31 3.307 4.340 0.122 1.00 2.38 H new ATOM 0 HG23 ILE A 31 5.005 4.461 0.640 1.00 2.38 H new ATOM 0 HD11 ILE A 31 6.669 0.616 -0.160 1.00 2.50 H new ATOM 0 HD12 ILE A 31 4.923 0.438 -0.456 1.00 2.50 H new ATOM 0 HD13 ILE A 31 5.773 1.906 -0.995 1.00 2.50 H new ATOM 451 N LEU A 32 1.294 3.413 1.947 1.00 1.95 N ATOM 452 CA LEU A 32 0.076 4.276 1.879 1.00 1.89 C ATOM 453 C LEU A 32 -0.280 4.798 3.279 1.00 1.92 C ATOM 454 O LEU A 32 -0.591 5.960 3.452 1.00 1.98 O ATOM 455 CB LEU A 32 -1.027 3.359 1.346 1.00 1.77 C ATOM 456 CG LEU A 32 -2.145 4.199 0.726 1.00 1.66 C ATOM 457 CD1 LEU A 32 -2.348 3.787 -0.731 1.00 1.87 C ATOM 458 CD2 LEU A 32 -3.443 3.971 1.502 1.00 1.77 C ATOM 0 H LEU A 32 1.164 2.457 1.617 1.00 1.95 H new ATOM 0 HA LEU A 32 0.220 5.150 1.243 1.00 1.89 H new ATOM 0 HB2 LEU A 32 -0.617 2.677 0.602 1.00 1.77 H new ATOM 0 HB3 LEU A 32 -1.426 2.746 2.155 1.00 1.77 H new ATOM 0 HG LEU A 32 -1.872 5.253 0.771 1.00 1.66 H new ATOM 0 HD11 LEU A 32 -3.145 4.387 -1.171 1.00 1.87 H new ATOM 0 HD12 LEU A 32 -1.424 3.948 -1.287 1.00 1.87 H new ATOM 0 HD13 LEU A 32 -2.620 2.732 -0.776 1.00 1.87 H new ATOM 0 HD21 LEU A 32 -4.240 4.569 1.061 1.00 1.77 H new ATOM 0 HD22 LEU A 32 -3.713 2.916 1.457 1.00 1.77 H new ATOM 0 HD23 LEU A 32 -3.302 4.265 2.542 1.00 1.77 H new ATOM 470 N GLY A 33 -0.221 3.948 4.277 1.00 1.93 N ATOM 471 CA GLY A 33 -0.538 4.385 5.674 1.00 2.03 C ATOM 472 C GLY A 33 0.524 5.381 6.147 1.00 2.20 C ATOM 473 O GLY A 33 0.206 6.452 6.622 1.00 2.29 O ATOM 0 H GLY A 33 0.035 2.965 4.183 1.00 1.93 H new ATOM 0 HA2 GLY A 33 -1.525 4.846 5.708 1.00 2.03 H new ATOM 0 HA3 GLY A 33 -0.566 3.522 6.340 1.00 2.03 H new ATOM 477 N CYS A 34 1.784 5.038 6.008 1.00 2.28 N ATOM 478 CA CYS A 34 2.873 5.975 6.438 1.00 2.49 C ATOM 479 C CYS A 34 2.782 7.292 5.647 1.00 2.48 C ATOM 480 O CYS A 34 2.958 8.364 6.194 1.00 2.62 O ATOM 481 CB CYS A 34 4.183 5.236 6.134 1.00 2.59 C ATOM 482 SG CYS A 34 5.568 6.096 6.925 1.00 3.04 S ATOM 0 H CYS A 34 2.105 4.152 5.617 1.00 2.28 H new ATOM 0 HA CYS A 34 2.801 6.240 7.493 1.00 2.49 H new ATOM 0 HB2 CYS A 34 4.125 4.210 6.496 1.00 2.59 H new ATOM 0 HB3 CYS A 34 4.342 5.185 5.057 1.00 2.59 H new ATOM 0 HG CYS A 34 6.675 5.466 6.666 1.00 3.04 H new ATOM 488 N TRP A 35 2.496 7.220 4.367 1.00 2.34 N ATOM 489 CA TRP A 35 2.377 8.469 3.544 1.00 2.33 C ATOM 490 C TRP A 35 1.086 9.213 3.922 1.00 2.30 C ATOM 491 O TRP A 35 1.074 10.421 4.066 1.00 2.37 O ATOM 492 CB TRP A 35 2.309 7.989 2.085 1.00 2.31 C ATOM 493 CG TRP A 35 3.677 7.998 1.466 1.00 2.35 C ATOM 494 CD1 TRP A 35 3.957 8.467 0.228 1.00 2.27 C ATOM 495 CD2 TRP A 35 4.944 7.526 2.019 1.00 2.70 C ATOM 496 NE1 TRP A 35 5.311 8.314 -0.015 1.00 2.42 N ATOM 497 CE2 TRP A 35 5.963 7.743 1.060 1.00 2.64 C ATOM 498 CE3 TRP A 35 5.309 6.942 3.247 1.00 3.22 C ATOM 499 CZ2 TRP A 35 7.291 7.391 1.311 1.00 2.94 C ATOM 500 CZ3 TRP A 35 6.641 6.587 3.501 1.00 3.60 C ATOM 501 CH2 TRP A 35 7.631 6.812 2.537 1.00 3.40 C ATOM 0 H TRP A 35 2.340 6.351 3.857 1.00 2.34 H new ATOM 0 HA TRP A 35 3.210 9.153 3.704 1.00 2.33 H new ATOM 0 HB2 TRP A 35 1.892 6.983 2.046 1.00 2.31 H new ATOM 0 HB3 TRP A 35 1.641 8.634 1.514 1.00 2.31 H new ATOM 0 HD1 TRP A 35 3.240 8.892 -0.459 1.00 2.27 H new ATOM 0 HE1 TRP A 35 5.771 8.590 -0.883 1.00 2.42 H new ATOM 0 HE3 TRP A 35 4.556 6.766 4.000 1.00 3.22 H new ATOM 0 HZ2 TRP A 35 8.050 7.565 0.563 1.00 2.94 H new ATOM 0 HZ3 TRP A 35 6.905 6.137 4.447 1.00 3.60 H new ATOM 0 HH2 TRP A 35 8.656 6.539 2.740 1.00 3.40 H new ATOM 512 N CYS A 36 0.007 8.484 4.088 1.00 2.21 N ATOM 513 CA CYS A 36 -1.307 9.097 4.464 1.00 2.19 C ATOM 514 C CYS A 36 -1.696 10.227 3.487 1.00 2.18 C ATOM 515 O CYS A 36 -2.291 9.976 2.452 1.00 2.08 O ATOM 516 CB CYS A 36 -1.106 9.613 5.896 1.00 2.32 C ATOM 517 SG CYS A 36 -2.671 10.255 6.540 1.00 2.47 S ATOM 0 H CYS A 36 -0.018 7.470 3.976 1.00 2.21 H new ATOM 0 HA CYS A 36 -2.128 8.382 4.411 1.00 2.19 H new ATOM 0 HB2 CYS A 36 -0.742 8.808 6.535 1.00 2.32 H new ATOM 0 HB3 CYS A 36 -0.348 10.397 5.907 1.00 2.32 H new ATOM 0 HG CYS A 36 -2.496 10.688 7.753 1.00 2.47 H new ATOM 523 N TYR A 37 -1.385 11.464 3.802 1.00 2.33 N ATOM 524 CA TYR A 37 -1.759 12.589 2.888 1.00 2.36 C ATOM 525 C TYR A 37 -0.529 13.238 2.230 1.00 2.47 C ATOM 526 O TYR A 37 -0.637 13.828 1.169 1.00 2.53 O ATOM 527 CB TYR A 37 -2.477 13.599 3.782 1.00 2.42 C ATOM 528 CG TYR A 37 -3.730 14.055 3.082 1.00 2.41 C ATOM 529 CD1 TYR A 37 -3.660 15.056 2.107 1.00 2.51 C ATOM 530 CD2 TYR A 37 -4.957 13.460 3.389 1.00 2.39 C ATOM 531 CE1 TYR A 37 -4.821 15.463 1.439 1.00 2.55 C ATOM 532 CE2 TYR A 37 -6.118 13.872 2.727 1.00 2.44 C ATOM 533 CZ TYR A 37 -6.048 14.871 1.750 1.00 2.49 C ATOM 534 OH TYR A 37 -7.189 15.259 1.084 1.00 2.58 O ATOM 0 H TYR A 37 -0.890 11.741 4.650 1.00 2.33 H new ATOM 0 HA TYR A 37 -2.380 12.234 2.065 1.00 2.36 H new ATOM 0 HB2 TYR A 37 -2.724 13.146 4.742 1.00 2.42 H new ATOM 0 HB3 TYR A 37 -1.828 14.450 3.988 1.00 2.42 H new ATOM 0 HD1 TYR A 37 -2.711 15.514 1.870 1.00 2.51 H new ATOM 0 HD2 TYR A 37 -5.008 12.683 4.137 1.00 2.39 H new ATOM 0 HE1 TYR A 37 -4.768 16.234 0.684 1.00 2.55 H new ATOM 0 HE2 TYR A 37 -7.068 13.419 2.970 1.00 2.44 H new ATOM 0 HH TYR A 37 -7.342 14.662 0.322 1.00 2.58 H new ATOM 544 N LEU A 38 0.632 13.140 2.835 1.00 2.55 N ATOM 545 CA LEU A 38 1.856 13.769 2.230 1.00 2.69 C ATOM 546 C LEU A 38 2.371 12.979 1.005 1.00 2.64 C ATOM 547 O LEU A 38 3.427 13.273 0.480 1.00 2.76 O ATOM 548 CB LEU A 38 2.898 13.764 3.361 1.00 2.83 C ATOM 549 CG LEU A 38 3.362 12.331 3.651 1.00 2.76 C ATOM 550 CD1 LEU A 38 4.793 12.149 3.149 1.00 2.86 C ATOM 551 CD2 LEU A 38 3.321 12.075 5.158 1.00 2.83 C ATOM 0 H LEU A 38 0.787 12.654 3.718 1.00 2.55 H new ATOM 0 HA LEU A 38 1.645 14.772 1.859 1.00 2.69 H new ATOM 0 HB2 LEU A 38 3.752 14.380 3.080 1.00 2.83 H new ATOM 0 HB3 LEU A 38 2.469 14.204 4.261 1.00 2.83 H new ATOM 0 HG LEU A 38 2.702 11.628 3.143 1.00 2.76 H new ATOM 0 HD11 LEU A 38 5.124 11.131 3.355 1.00 2.86 H new ATOM 0 HD12 LEU A 38 4.828 12.332 2.075 1.00 2.86 H new ATOM 0 HD13 LEU A 38 5.450 12.854 3.659 1.00 2.86 H new ATOM 0 HD21 LEU A 38 3.651 11.057 5.363 1.00 2.83 H new ATOM 0 HD22 LEU A 38 3.981 12.779 5.665 1.00 2.83 H new ATOM 0 HD23 LEU A 38 2.302 12.207 5.522 1.00 2.83 H new ATOM 563 N ARG A 39 1.641 11.989 0.551 1.00 2.52 N ATOM 564 CA ARG A 39 2.093 11.183 -0.630 1.00 2.51 C ATOM 565 C ARG A 39 2.344 12.063 -1.871 1.00 2.62 C ATOM 566 O ARG A 39 3.174 11.736 -2.699 1.00 2.78 O ATOM 567 CB ARG A 39 0.948 10.191 -0.889 1.00 2.32 C ATOM 568 CG ARG A 39 -0.308 10.940 -1.365 1.00 2.36 C ATOM 569 CD ARG A 39 -1.538 10.426 -0.613 1.00 2.02 C ATOM 570 NE ARG A 39 -2.326 11.651 -0.274 1.00 2.21 N ATOM 571 CZ ARG A 39 -3.604 11.562 -0.056 1.00 2.21 C ATOM 572 NH1 ARG A 39 -4.046 10.882 0.952 1.00 2.24 N ATOM 573 NH2 ARG A 39 -4.438 12.144 -0.850 1.00 2.24 N ATOM 0 H ARG A 39 0.747 11.702 0.949 1.00 2.52 H new ATOM 0 HA ARG A 39 3.042 10.686 -0.430 1.00 2.51 H new ATOM 0 HB2 ARG A 39 1.252 9.462 -1.640 1.00 2.32 H new ATOM 0 HB3 ARG A 39 0.725 9.636 0.022 1.00 2.32 H new ATOM 0 HG2 ARG A 39 -0.189 12.010 -1.197 1.00 2.36 H new ATOM 0 HG3 ARG A 39 -0.442 10.799 -2.438 1.00 2.36 H new ATOM 0 HD2 ARG A 39 -2.120 9.741 -1.230 1.00 2.02 H new ATOM 0 HD3 ARG A 39 -1.251 9.880 0.286 1.00 2.02 H new ATOM 0 HE ARG A 39 -1.860 12.556 -0.214 1.00 2.21 H new ATOM 0 HH11 ARG A 39 -3.391 10.414 1.578 1.00 2.24 H new ATOM 0 HH12 ARG A 39 -5.050 10.814 1.121 1.00 2.24 H new ATOM 0 HH21 ARG A 39 -4.095 12.675 -1.650 1.00 2.24 H new ATOM 0 HH22 ARG A 39 -5.441 12.073 -0.677 1.00 2.24 H new ATOM 587 N LEU A 40 1.630 13.161 -2.010 1.00 2.58 N ATOM 588 CA LEU A 40 1.810 14.055 -3.201 1.00 2.75 C ATOM 589 C LEU A 40 1.736 13.239 -4.500 1.00 2.77 C ATOM 590 O LEU A 40 0.651 12.909 -4.946 1.00 2.64 O ATOM 591 CB LEU A 40 3.179 14.733 -3.013 1.00 3.08 C ATOM 592 CG LEU A 40 2.987 16.202 -2.621 1.00 3.12 C ATOM 593 CD1 LEU A 40 2.261 16.947 -3.746 1.00 3.11 C ATOM 594 CD2 LEU A 40 2.165 16.286 -1.334 1.00 2.97 C ATOM 0 H LEU A 40 0.926 13.476 -1.343 1.00 2.58 H new ATOM 0 HA LEU A 40 1.023 14.805 -3.278 1.00 2.75 H new ATOM 0 HB2 LEU A 40 3.748 14.214 -2.242 1.00 3.08 H new ATOM 0 HB3 LEU A 40 3.757 14.667 -3.935 1.00 3.08 H new ATOM 0 HG LEU A 40 3.962 16.661 -2.458 1.00 3.12 H new ATOM 0 HD11 LEU A 40 2.126 17.991 -3.463 1.00 3.11 H new ATOM 0 HD12 LEU A 40 2.853 16.892 -4.660 1.00 3.11 H new ATOM 0 HD13 LEU A 40 1.287 16.489 -3.916 1.00 3.11 H new ATOM 0 HD21 LEU A 40 2.029 17.331 -1.057 1.00 2.97 H new ATOM 0 HD22 LEU A 40 1.191 15.824 -1.494 1.00 2.97 H new ATOM 0 HD23 LEU A 40 2.688 15.763 -0.533 1.00 2.97 H new ATOM 606 N GLN A 41 2.857 12.910 -5.115 1.00 2.99 N ATOM 607 CA GLN A 41 2.834 12.115 -6.390 1.00 3.09 C ATOM 608 C GLN A 41 2.161 12.911 -7.529 1.00 3.18 C ATOM 609 O GLN A 41 2.703 13.033 -8.614 1.00 3.44 O ATOM 610 CB GLN A 41 2.051 10.840 -6.054 1.00 2.88 C ATOM 611 CG GLN A 41 2.808 9.621 -6.588 1.00 3.05 C ATOM 612 CD GLN A 41 1.975 8.930 -7.665 1.00 3.23 C ATOM 613 OE1 GLN A 41 1.967 9.346 -8.803 1.00 3.63 O ATOM 614 NE2 GLN A 41 1.266 7.885 -7.351 1.00 3.23 N ATOM 0 H GLN A 41 3.789 13.160 -4.785 1.00 2.99 H new ATOM 0 HA GLN A 41 3.838 11.885 -6.746 1.00 3.09 H new ATOM 0 HB2 GLN A 41 1.918 10.755 -4.975 1.00 2.88 H new ATOM 0 HB3 GLN A 41 1.055 10.885 -6.495 1.00 2.88 H new ATOM 0 HG2 GLN A 41 3.769 9.929 -7.000 1.00 3.05 H new ATOM 0 HG3 GLN A 41 3.018 8.926 -5.775 1.00 3.05 H new ATOM 0 HE21 GLN A 41 1.272 7.534 -6.393 1.00 3.23 H new ATOM 0 HE22 GLN A 41 0.704 7.417 -8.062 1.00 3.23 H new ATOM 623 N ARG A 42 0.991 13.452 -7.295 1.00 3.00 N ATOM 624 CA ARG A 42 0.283 14.242 -8.343 1.00 3.12 C ATOM 625 C ARG A 42 -0.684 15.225 -7.652 1.00 2.96 C ATOM 626 O ARG A 42 -0.263 16.051 -6.865 1.00 2.91 O ATOM 627 CB ARG A 42 -0.452 13.187 -9.174 1.00 3.14 C ATOM 628 CG ARG A 42 -0.832 13.780 -10.537 1.00 3.44 C ATOM 629 CD ARG A 42 -0.456 12.792 -11.644 1.00 3.90 C ATOM 630 NE ARG A 42 1.033 12.876 -11.751 1.00 4.32 N ATOM 631 CZ ARG A 42 1.756 11.795 -11.667 1.00 4.40 C ATOM 632 NH1 ARG A 42 1.692 10.902 -12.608 1.00 4.92 N ATOM 633 NH2 ARG A 42 2.534 11.611 -10.644 1.00 4.10 N ATOM 0 H ARG A 42 0.492 13.377 -6.409 1.00 3.00 H new ATOM 0 HA ARG A 42 0.938 14.844 -8.973 1.00 3.12 H new ATOM 0 HB2 ARG A 42 0.182 12.311 -9.311 1.00 3.14 H new ATOM 0 HB3 ARG A 42 -1.347 12.854 -8.648 1.00 3.14 H new ATOM 0 HG2 ARG A 42 -1.901 13.990 -10.569 1.00 3.44 H new ATOM 0 HG3 ARG A 42 -0.316 14.728 -10.690 1.00 3.44 H new ATOM 0 HD2 ARG A 42 -0.777 11.780 -11.395 1.00 3.90 H new ATOM 0 HD3 ARG A 42 -0.935 13.056 -12.587 1.00 3.90 H new ATOM 0 HE ARG A 42 1.483 13.781 -11.890 1.00 4.32 H new ATOM 0 HH11 ARG A 42 1.078 11.048 -13.409 1.00 4.92 H new ATOM 0 HH12 ARG A 42 2.256 10.055 -12.546 1.00 4.92 H new ATOM 0 HH21 ARG A 42 2.580 12.313 -9.905 1.00 4.10 H new ATOM 0 HH22 ARG A 42 3.100 10.765 -10.579 1.00 4.10 H new ATOM 647 N ILE A 43 -1.969 15.135 -7.906 1.00 2.95 N ATOM 648 CA ILE A 43 -2.933 16.053 -7.224 1.00 2.84 C ATOM 649 C ILE A 43 -2.945 15.767 -5.720 1.00 2.69 C ATOM 650 O ILE A 43 -3.067 16.660 -4.903 1.00 2.69 O ATOM 651 CB ILE A 43 -4.312 15.748 -7.831 1.00 2.82 C ATOM 652 CG1 ILE A 43 -4.578 14.236 -7.915 1.00 2.78 C ATOM 653 CG2 ILE A 43 -4.388 16.337 -9.230 1.00 3.00 C ATOM 654 CD1 ILE A 43 -5.849 13.904 -7.134 1.00 2.45 C ATOM 0 H ILE A 43 -2.389 14.468 -8.553 1.00 2.95 H new ATOM 0 HA ILE A 43 -2.660 17.099 -7.362 1.00 2.84 H new ATOM 0 HB ILE A 43 -5.066 16.193 -7.182 1.00 2.82 H new ATOM 0 HG12 ILE A 43 -4.687 13.931 -8.956 1.00 2.78 H new ATOM 0 HG13 ILE A 43 -3.732 13.683 -7.508 1.00 2.78 H new ATOM 0 HG21 ILE A 43 -5.365 16.122 -9.663 1.00 3.00 H new ATOM 0 HG22 ILE A 43 -4.243 17.416 -9.179 1.00 3.00 H new ATOM 0 HG23 ILE A 43 -3.610 15.896 -9.853 1.00 3.00 H new ATOM 0 HD11 ILE A 43 -6.042 12.833 -7.191 1.00 2.45 H new ATOM 0 HD12 ILE A 43 -5.722 14.195 -6.091 1.00 2.45 H new ATOM 0 HD13 ILE A 43 -6.691 14.447 -7.562 1.00 2.45 H new ATOM 666 N SER A 44 -2.832 14.512 -5.370 1.00 2.62 N ATOM 667 CA SER A 44 -2.845 14.086 -3.934 1.00 2.50 C ATOM 668 C SER A 44 -4.249 14.278 -3.349 1.00 2.34 C ATOM 669 O SER A 44 -4.919 13.314 -3.023 1.00 2.28 O ATOM 670 CB SER A 44 -1.808 14.957 -3.214 1.00 2.62 C ATOM 671 OG SER A 44 -1.449 14.333 -1.984 1.00 2.52 O ATOM 0 H SER A 44 -2.729 13.745 -6.034 1.00 2.62 H new ATOM 0 HA SER A 44 -2.596 13.031 -3.818 1.00 2.50 H new ATOM 0 HB2 SER A 44 -0.926 15.088 -3.841 1.00 2.62 H new ATOM 0 HB3 SER A 44 -2.216 15.950 -3.027 1.00 2.62 H new ATOM 0 HG SER A 44 -0.785 14.884 -1.519 1.00 2.52 H new ATOM 677 N GLN A 45 -4.710 15.500 -3.235 1.00 2.31 N ATOM 678 CA GLN A 45 -6.088 15.750 -2.687 1.00 2.21 C ATOM 679 C GLN A 45 -7.133 14.966 -3.506 1.00 2.09 C ATOM 680 O GLN A 45 -7.521 15.364 -4.591 1.00 2.30 O ATOM 681 CB GLN A 45 -6.313 17.269 -2.802 1.00 2.46 C ATOM 682 CG GLN A 45 -5.904 17.766 -4.197 1.00 2.66 C ATOM 683 CD GLN A 45 -7.006 18.654 -4.773 1.00 2.81 C ATOM 684 OE1 GLN A 45 -6.883 19.857 -4.790 1.00 3.05 O ATOM 685 NE2 GLN A 45 -8.087 18.108 -5.248 1.00 3.03 N ATOM 0 H GLN A 45 -4.193 16.339 -3.497 1.00 2.31 H new ATOM 0 HA GLN A 45 -6.186 15.418 -1.653 1.00 2.21 H new ATOM 0 HB2 GLN A 45 -7.362 17.503 -2.619 1.00 2.46 H new ATOM 0 HB3 GLN A 45 -5.733 17.788 -2.039 1.00 2.46 H new ATOM 0 HG2 GLN A 45 -4.970 18.324 -4.135 1.00 2.66 H new ATOM 0 HG3 GLN A 45 -5.725 16.918 -4.858 1.00 2.66 H new ATOM 0 HE21 GLN A 45 -8.194 17.094 -5.235 1.00 3.03 H new ATOM 0 HE22 GLN A 45 -8.828 18.694 -5.633 1.00 3.03 H new ATOM 694 N SER A 46 -7.569 13.844 -2.993 1.00 1.85 N ATOM 695 CA SER A 46 -8.561 12.995 -3.711 1.00 1.78 C ATOM 696 C SER A 46 -9.454 12.272 -2.695 1.00 1.62 C ATOM 697 O SER A 46 -10.601 12.627 -2.503 1.00 1.56 O ATOM 698 CB SER A 46 -7.716 11.991 -4.503 1.00 1.92 C ATOM 699 OG SER A 46 -6.671 11.479 -3.670 1.00 1.91 O ATOM 0 H SER A 46 -7.272 13.476 -2.089 1.00 1.85 H new ATOM 0 HA SER A 46 -9.219 13.572 -4.361 1.00 1.78 H new ATOM 0 HB2 SER A 46 -8.343 11.174 -4.860 1.00 1.92 H new ATOM 0 HB3 SER A 46 -7.290 12.473 -5.383 1.00 1.92 H new ATOM 0 HG SER A 46 -5.913 12.101 -3.676 1.00 1.91 H new ATOM 705 N GLU A 47 -8.909 11.280 -2.025 1.00 1.66 N ATOM 706 CA GLU A 47 -9.672 10.526 -0.981 1.00 1.67 C ATOM 707 C GLU A 47 -10.959 9.899 -1.556 1.00 1.52 C ATOM 708 O GLU A 47 -11.153 9.840 -2.758 1.00 1.46 O ATOM 709 CB GLU A 47 -9.986 11.585 0.083 1.00 1.77 C ATOM 710 CG GLU A 47 -8.825 11.691 1.086 1.00 2.09 C ATOM 711 CD GLU A 47 -7.500 11.952 0.357 1.00 2.12 C ATOM 712 OE1 GLU A 47 -7.352 13.017 -0.230 1.00 2.11 O ATOM 713 OE2 GLU A 47 -6.640 11.087 0.406 1.00 2.31 O ATOM 0 H GLU A 47 -7.951 10.958 -2.162 1.00 1.66 H new ATOM 0 HA GLU A 47 -9.107 9.685 -0.579 1.00 1.67 H new ATOM 0 HB2 GLU A 47 -10.154 12.551 -0.393 1.00 1.77 H new ATOM 0 HB3 GLU A 47 -10.906 11.324 0.606 1.00 1.77 H new ATOM 0 HG2 GLU A 47 -9.021 12.497 1.793 1.00 2.09 H new ATOM 0 HG3 GLU A 47 -8.752 10.770 1.664 1.00 2.09 H new ATOM 720 N ASP A 48 -11.834 9.421 -0.700 1.00 1.64 N ATOM 721 CA ASP A 48 -13.106 8.792 -1.180 1.00 1.64 C ATOM 722 C ASP A 48 -14.079 9.876 -1.677 1.00 1.51 C ATOM 723 O ASP A 48 -14.939 10.333 -0.948 1.00 1.85 O ATOM 724 CB ASP A 48 -13.684 8.059 0.045 1.00 2.16 C ATOM 725 CG ASP A 48 -13.555 6.546 -0.142 1.00 2.62 C ATOM 726 OD1 ASP A 48 -12.445 6.051 -0.051 1.00 2.92 O ATOM 727 OD2 ASP A 48 -14.570 5.909 -0.367 1.00 3.13 O ATOM 0 H ASP A 48 -11.720 9.440 0.313 1.00 1.64 H new ATOM 0 HA ASP A 48 -12.939 8.110 -2.014 1.00 1.64 H new ATOM 0 HB2 ASP A 48 -13.156 8.369 0.947 1.00 2.16 H new ATOM 0 HB3 ASP A 48 -14.731 8.329 0.180 1.00 2.16 H new ATOM 732 N GLU A 49 -13.949 10.294 -2.909 1.00 1.34 N ATOM 733 CA GLU A 49 -14.865 11.344 -3.440 1.00 1.55 C ATOM 734 C GLU A 49 -15.510 10.898 -4.766 1.00 1.59 C ATOM 735 O GLU A 49 -15.176 9.865 -5.317 1.00 1.54 O ATOM 736 CB GLU A 49 -13.986 12.591 -3.624 1.00 1.62 C ATOM 737 CG GLU A 49 -12.960 12.365 -4.743 1.00 1.54 C ATOM 738 CD GLU A 49 -13.504 12.896 -6.067 1.00 1.89 C ATOM 739 OE1 GLU A 49 -13.888 14.055 -6.117 1.00 2.12 O ATOM 740 OE2 GLU A 49 -13.525 12.136 -7.020 1.00 2.02 O ATOM 0 H GLU A 49 -13.249 9.954 -3.569 1.00 1.34 H new ATOM 0 HA GLU A 49 -15.697 11.541 -2.764 1.00 1.55 H new ATOM 0 HB2 GLU A 49 -14.611 13.451 -3.864 1.00 1.62 H new ATOM 0 HB3 GLU A 49 -13.471 12.821 -2.691 1.00 1.62 H new ATOM 0 HG2 GLU A 49 -12.025 12.868 -4.497 1.00 1.54 H new ATOM 0 HG3 GLU A 49 -12.736 11.302 -4.833 1.00 1.54 H new ATOM 747 N GLU A 50 -16.441 11.672 -5.271 1.00 1.87 N ATOM 748 CA GLU A 50 -17.125 11.306 -6.552 1.00 2.05 C ATOM 749 C GLU A 50 -17.139 12.502 -7.516 1.00 2.43 C ATOM 750 O GLU A 50 -18.155 13.144 -7.711 1.00 2.70 O ATOM 751 CB GLU A 50 -18.554 10.934 -6.141 1.00 2.12 C ATOM 752 CG GLU A 50 -19.298 10.347 -7.346 1.00 2.30 C ATOM 753 CD GLU A 50 -20.497 9.527 -6.864 1.00 2.24 C ATOM 754 OE1 GLU A 50 -20.307 8.367 -6.537 1.00 2.14 O ATOM 755 OE2 GLU A 50 -21.585 10.070 -6.829 1.00 2.53 O ATOM 0 H GLU A 50 -16.758 12.545 -4.849 1.00 1.87 H new ATOM 0 HA GLU A 50 -16.619 10.491 -7.070 1.00 2.05 H new ATOM 0 HB2 GLU A 50 -18.532 10.210 -5.326 1.00 2.12 H new ATOM 0 HB3 GLU A 50 -19.078 11.815 -5.771 1.00 2.12 H new ATOM 0 HG2 GLU A 50 -19.634 11.149 -8.003 1.00 2.30 H new ATOM 0 HG3 GLU A 50 -18.626 9.718 -7.929 1.00 2.30 H new ATOM 762 N SER A 51 -16.021 12.819 -8.115 1.00 2.50 N ATOM 763 CA SER A 51 -15.986 13.981 -9.058 1.00 2.91 C ATOM 764 C SER A 51 -14.664 14.036 -9.837 1.00 3.02 C ATOM 765 O SER A 51 -14.650 14.228 -11.037 1.00 3.37 O ATOM 766 CB SER A 51 -16.169 15.214 -8.163 1.00 3.02 C ATOM 767 OG SER A 51 -14.910 15.673 -7.680 1.00 2.88 O ATOM 0 H SER A 51 -15.135 12.328 -7.995 1.00 2.50 H new ATOM 0 HA SER A 51 -16.762 13.913 -9.820 1.00 2.91 H new ATOM 0 HB2 SER A 51 -16.661 16.008 -8.725 1.00 3.02 H new ATOM 0 HB3 SER A 51 -16.819 14.968 -7.323 1.00 3.02 H new ATOM 0 HG SER A 51 -14.750 15.308 -6.784 1.00 2.88 H new ATOM 773 N ILE A 52 -13.565 13.878 -9.160 1.00 2.79 N ATOM 774 CA ILE A 52 -12.230 13.923 -9.828 1.00 2.95 C ATOM 775 C ILE A 52 -11.655 12.510 -9.969 1.00 2.81 C ATOM 776 O ILE A 52 -11.367 12.053 -11.056 1.00 3.12 O ATOM 777 CB ILE A 52 -11.354 14.755 -8.889 1.00 2.83 C ATOM 778 CG1 ILE A 52 -11.957 16.148 -8.713 1.00 3.06 C ATOM 779 CG2 ILE A 52 -9.954 14.880 -9.480 1.00 2.99 C ATOM 780 CD1 ILE A 52 -11.424 16.771 -7.423 1.00 3.03 C ATOM 0 H ILE A 52 -13.531 13.716 -8.153 1.00 2.79 H new ATOM 0 HA ILE A 52 -12.286 14.346 -10.831 1.00 2.95 H new ATOM 0 HB ILE A 52 -11.300 14.262 -7.918 1.00 2.83 H new ATOM 0 HG12 ILE A 52 -11.703 16.777 -9.566 1.00 3.06 H new ATOM 0 HG13 ILE A 52 -13.045 16.084 -8.677 1.00 3.06 H new ATOM 0 HG21 ILE A 52 -9.329 15.473 -8.812 1.00 2.99 H new ATOM 0 HG22 ILE A 52 -9.519 13.888 -9.599 1.00 2.99 H new ATOM 0 HG23 ILE A 52 -10.012 15.369 -10.452 1.00 2.99 H new ATOM 0 HD11 ILE A 52 -11.853 17.765 -7.295 1.00 3.03 H new ATOM 0 HD12 ILE A 52 -11.701 16.144 -6.575 1.00 3.03 H new ATOM 0 HD13 ILE A 52 -10.338 16.848 -7.478 1.00 3.03 H new ATOM 792 N VAL A 53 -11.495 11.815 -8.874 1.00 2.42 N ATOM 793 CA VAL A 53 -10.944 10.423 -8.943 1.00 2.40 C ATOM 794 C VAL A 53 -12.094 9.407 -8.971 1.00 2.36 C ATOM 795 O VAL A 53 -12.003 8.375 -9.612 1.00 2.57 O ATOM 796 CB VAL A 53 -10.065 10.248 -7.691 1.00 2.11 C ATOM 797 CG1 VAL A 53 -10.926 10.236 -6.423 1.00 1.77 C ATOM 798 CG2 VAL A 53 -9.300 8.924 -7.789 1.00 2.28 C ATOM 0 H VAL A 53 -11.720 12.147 -7.936 1.00 2.42 H new ATOM 0 HA VAL A 53 -10.357 10.258 -9.847 1.00 2.40 H new ATOM 0 HB VAL A 53 -9.367 11.084 -7.636 1.00 2.11 H new ATOM 0 HG11 VAL A 53 -10.286 10.111 -5.550 1.00 1.77 H new ATOM 0 HG12 VAL A 53 -11.469 11.178 -6.343 1.00 1.77 H new ATOM 0 HG13 VAL A 53 -11.636 9.411 -6.473 1.00 1.77 H new ATOM 0 HG21 VAL A 53 -8.677 8.798 -6.904 1.00 2.28 H new ATOM 0 HG22 VAL A 53 -10.009 8.098 -7.855 1.00 2.28 H new ATOM 0 HG23 VAL A 53 -8.670 8.933 -8.678 1.00 2.28 H new ATOM 808 N GLY A 54 -13.182 9.700 -8.301 1.00 2.16 N ATOM 809 CA GLY A 54 -14.345 8.766 -8.305 1.00 2.14 C ATOM 810 C GLY A 54 -15.099 8.904 -9.630 1.00 2.48 C ATOM 811 O GLY A 54 -16.245 9.312 -9.660 1.00 2.52 O ATOM 0 H GLY A 54 -13.312 10.549 -7.751 1.00 2.16 H new ATOM 0 HA2 GLY A 54 -14.002 7.740 -8.173 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -15.009 8.990 -7.470 1.00 2.14 H new ATOM 815 N ASP A 55 -14.459 8.580 -10.729 1.00 2.80 N ATOM 816 CA ASP A 55 -15.133 8.703 -12.058 1.00 3.18 C ATOM 817 C ASP A 55 -15.942 7.441 -12.377 1.00 3.25 C ATOM 818 O ASP A 55 -15.444 6.330 -12.323 1.00 3.37 O ATOM 819 CB ASP A 55 -14.006 8.897 -13.076 1.00 3.65 C ATOM 820 CG ASP A 55 -14.588 9.477 -14.365 1.00 4.10 C ATOM 821 OD1 ASP A 55 -15.039 8.700 -15.190 1.00 4.36 O ATOM 822 OD2 ASP A 55 -14.579 10.687 -14.501 1.00 4.46 O ATOM 0 H ASP A 55 -13.499 8.236 -10.761 1.00 2.80 H new ATOM 0 HA ASP A 55 -15.837 9.535 -12.075 1.00 3.18 H new ATOM 0 HB2 ASP A 55 -13.246 9.566 -12.672 1.00 3.65 H new ATOM 0 HB3 ASP A 55 -13.516 7.945 -13.280 1.00 3.65 H new ATOM 827 N GLY A 56 -17.195 7.615 -12.692 1.00 3.27 N ATOM 828 CA GLY A 56 -18.077 6.454 -13.005 1.00 3.43 C ATOM 829 C GLY A 56 -19.026 6.242 -11.833 1.00 3.19 C ATOM 830 O GLY A 56 -19.338 5.125 -11.473 1.00 3.22 O ATOM 0 H GLY A 56 -17.652 8.525 -12.747 1.00 3.27 H new ATOM 0 HA2 GLY A 56 -18.640 6.641 -13.920 1.00 3.43 H new ATOM 0 HA3 GLY A 56 -17.479 5.559 -13.176 1.00 3.43 H new ATOM 834 N GLU A 57 -19.466 7.318 -11.217 1.00 3.06 N ATOM 835 CA GLU A 57 -20.375 7.208 -10.039 1.00 2.96 C ATOM 836 C GLU A 57 -19.700 6.378 -8.933 1.00 2.77 C ATOM 837 O GLU A 57 -20.366 5.791 -8.102 1.00 2.82 O ATOM 838 CB GLU A 57 -21.640 6.512 -10.564 1.00 3.23 C ATOM 839 CG GLU A 57 -22.848 7.450 -10.427 1.00 3.42 C ATOM 840 CD GLU A 57 -23.910 6.796 -9.544 1.00 3.42 C ATOM 841 OE1 GLU A 57 -24.693 6.028 -10.068 1.00 3.67 O ATOM 842 OE2 GLU A 57 -23.917 7.074 -8.354 1.00 3.35 O ATOM 0 H GLU A 57 -19.229 8.273 -11.486 1.00 3.06 H new ATOM 0 HA GLU A 57 -20.612 8.179 -9.603 1.00 2.96 H new ATOM 0 HB2 GLU A 57 -21.504 6.230 -11.608 1.00 3.23 H new ATOM 0 HB3 GLU A 57 -21.818 5.592 -10.006 1.00 3.23 H new ATOM 0 HG2 GLU A 57 -22.536 8.400 -9.994 1.00 3.42 H new ATOM 0 HG3 GLU A 57 -23.264 7.670 -11.410 1.00 3.42 H new ATOM 849 N THR A 58 -18.381 6.337 -8.919 1.00 2.63 N ATOM 850 CA THR A 58 -17.630 5.552 -7.870 1.00 2.53 C ATOM 851 C THR A 58 -18.325 4.201 -7.585 1.00 2.60 C ATOM 852 O THR A 58 -18.370 3.335 -8.441 1.00 2.56 O ATOM 853 CB THR A 58 -17.594 6.449 -6.611 1.00 2.49 C ATOM 854 OG1 THR A 58 -18.866 6.447 -5.970 1.00 2.61 O ATOM 855 CG2 THR A 58 -17.214 7.882 -6.989 1.00 2.50 C ATOM 0 H THR A 58 -17.787 6.817 -9.595 1.00 2.63 H new ATOM 0 HA THR A 58 -16.621 5.305 -8.202 1.00 2.53 H new ATOM 0 HB THR A 58 -16.845 6.051 -5.926 1.00 2.49 H new ATOM 0 HG1 THR A 58 -19.166 7.370 -5.836 1.00 2.61 H new ATOM 0 HG21 THR A 58 -17.193 8.501 -6.092 1.00 2.50 H new ATOM 0 HG22 THR A 58 -16.229 7.886 -7.456 1.00 2.50 H new ATOM 0 HG23 THR A 58 -17.949 8.281 -7.688 1.00 2.50 H new ATOM 863 N LYS A 59 -18.878 4.024 -6.400 1.00 2.80 N ATOM 864 CA LYS A 59 -19.584 2.750 -6.049 1.00 2.94 C ATOM 865 C LYS A 59 -18.706 1.521 -6.342 1.00 2.75 C ATOM 866 O LYS A 59 -17.513 1.629 -6.566 1.00 2.62 O ATOM 867 CB LYS A 59 -20.841 2.753 -6.933 1.00 3.07 C ATOM 868 CG LYS A 59 -22.078 3.017 -6.065 1.00 3.43 C ATOM 869 CD LYS A 59 -22.854 4.223 -6.617 1.00 3.34 C ATOM 870 CE LYS A 59 -22.564 5.463 -5.760 1.00 3.24 C ATOM 871 NZ LYS A 59 -22.163 6.515 -6.733 1.00 2.98 N ATOM 0 H LYS A 59 -18.867 4.721 -5.655 1.00 2.80 H new ATOM 0 HA LYS A 59 -19.822 2.693 -4.987 1.00 2.94 H new ATOM 0 HB2 LYS A 59 -20.754 3.519 -7.704 1.00 3.07 H new ATOM 0 HB3 LYS A 59 -20.941 1.796 -7.445 1.00 3.07 H new ATOM 0 HG2 LYS A 59 -22.719 2.136 -6.052 1.00 3.43 H new ATOM 0 HG3 LYS A 59 -21.777 3.207 -5.035 1.00 3.43 H new ATOM 0 HD2 LYS A 59 -22.567 4.409 -7.652 1.00 3.34 H new ATOM 0 HD3 LYS A 59 -23.923 4.011 -6.616 1.00 3.34 H new ATOM 0 HE2 LYS A 59 -23.444 5.765 -5.192 1.00 3.24 H new ATOM 0 HE3 LYS A 59 -21.770 5.268 -5.039 1.00 3.24 H new ATOM 0 HZ1 LYS A 59 -21.695 7.294 -6.228 1.00 2.98 H new ATOM 0 HZ2 LYS A 59 -21.507 6.110 -7.431 1.00 2.98 H new ATOM 0 HZ3 LYS A 59 -23.007 6.877 -7.221 1.00 2.98 H new ATOM 885 N GLU A 60 -19.294 0.353 -6.343 1.00 2.80 N ATOM 886 CA GLU A 60 -18.516 -0.881 -6.631 1.00 2.65 C ATOM 887 C GLU A 60 -18.846 -1.368 -8.047 1.00 2.65 C ATOM 888 O GLU A 60 -19.852 -2.021 -8.263 1.00 3.06 O ATOM 889 CB GLU A 60 -18.957 -1.899 -5.576 1.00 2.87 C ATOM 890 CG GLU A 60 -17.741 -2.715 -5.119 1.00 2.75 C ATOM 891 CD GLU A 60 -17.320 -3.697 -6.219 1.00 2.49 C ATOM 892 OE1 GLU A 60 -16.516 -3.313 -7.057 1.00 2.27 O ATOM 893 OE2 GLU A 60 -17.800 -4.818 -6.202 1.00 2.60 O ATOM 0 H GLU A 60 -20.285 0.204 -6.155 1.00 2.80 H new ATOM 0 HA GLU A 60 -17.439 -0.721 -6.588 1.00 2.65 H new ATOM 0 HB2 GLU A 60 -19.406 -1.387 -4.725 1.00 2.87 H new ATOM 0 HB3 GLU A 60 -19.719 -2.560 -5.988 1.00 2.87 H new ATOM 0 HG2 GLU A 60 -16.913 -2.047 -4.882 1.00 2.75 H new ATOM 0 HG3 GLU A 60 -17.982 -3.261 -4.207 1.00 2.75 H new ATOM 900 N PRO A 61 -17.984 -1.017 -8.972 1.00 2.27 N ATOM 901 CA PRO A 61 -18.183 -1.410 -10.393 1.00 2.40 C ATOM 902 C PRO A 61 -18.061 -2.931 -10.579 1.00 2.38 C ATOM 903 O PRO A 61 -18.649 -3.488 -11.487 1.00 2.63 O ATOM 904 CB PRO A 61 -17.070 -0.661 -11.125 1.00 2.13 C ATOM 905 CG PRO A 61 -16.023 -0.414 -10.089 1.00 1.70 C ATOM 906 CD PRO A 61 -16.752 -0.235 -8.786 1.00 1.85 C ATOM 0 HA PRO A 61 -19.176 -1.162 -10.768 1.00 2.40 H new ATOM 0 HB2 PRO A 61 -16.675 -1.251 -11.952 1.00 2.13 H new ATOM 0 HB3 PRO A 61 -17.436 0.275 -11.547 1.00 2.13 H new ATOM 0 HG2 PRO A 61 -15.327 -1.251 -10.033 1.00 1.70 H new ATOM 0 HG3 PRO A 61 -15.437 0.473 -10.332 1.00 1.70 H new ATOM 0 HD2 PRO A 61 -16.166 -0.604 -7.944 1.00 1.85 H new ATOM 0 HD3 PRO A 61 -16.969 0.815 -8.588 1.00 1.85 H new ATOM 914 N PHE A 62 -17.316 -3.601 -9.725 1.00 2.20 N ATOM 915 CA PHE A 62 -17.159 -5.090 -9.832 1.00 2.26 C ATOM 916 C PHE A 62 -16.559 -5.502 -11.189 1.00 2.14 C ATOM 917 O PHE A 62 -15.411 -5.892 -11.273 1.00 2.04 O ATOM 918 CB PHE A 62 -18.576 -5.652 -9.642 1.00 2.59 C ATOM 919 CG PHE A 62 -18.515 -7.151 -9.500 1.00 2.80 C ATOM 920 CD1 PHE A 62 -18.042 -7.723 -8.314 1.00 2.89 C ATOM 921 CD2 PHE A 62 -18.935 -7.972 -10.553 1.00 3.07 C ATOM 922 CE1 PHE A 62 -17.984 -9.115 -8.183 1.00 3.19 C ATOM 923 CE2 PHE A 62 -18.878 -9.363 -10.422 1.00 3.33 C ATOM 924 CZ PHE A 62 -18.403 -9.934 -9.236 1.00 3.36 C ATOM 0 H PHE A 62 -16.806 -3.174 -8.952 1.00 2.20 H new ATOM 0 HA PHE A 62 -16.466 -5.480 -9.086 1.00 2.26 H new ATOM 0 HB2 PHE A 62 -19.036 -5.212 -8.757 1.00 2.59 H new ATOM 0 HB3 PHE A 62 -19.201 -5.383 -10.494 1.00 2.59 H new ATOM 0 HD1 PHE A 62 -17.722 -7.090 -7.500 1.00 2.89 H new ATOM 0 HD2 PHE A 62 -19.303 -7.531 -11.467 1.00 3.07 H new ATOM 0 HE1 PHE A 62 -17.616 -9.557 -7.269 1.00 3.19 H new ATOM 0 HE2 PHE A 62 -19.200 -9.996 -11.235 1.00 3.33 H new ATOM 0 HZ PHE A 62 -18.360 -11.008 -9.134 1.00 3.36 H new ATOM 934 N LEU A 63 -17.320 -5.419 -12.244 1.00 2.17 N ATOM 935 CA LEU A 63 -16.792 -5.809 -13.592 1.00 2.09 C ATOM 936 C LEU A 63 -15.629 -4.902 -14.018 1.00 1.96 C ATOM 937 O LEU A 63 -14.713 -5.341 -14.688 1.00 1.89 O ATOM 938 CB LEU A 63 -17.983 -5.695 -14.559 1.00 2.25 C ATOM 939 CG LEU A 63 -18.435 -4.234 -14.692 1.00 2.32 C ATOM 940 CD1 LEU A 63 -17.861 -3.632 -15.975 1.00 2.35 C ATOM 941 CD2 LEU A 63 -19.963 -4.176 -14.749 1.00 2.53 C ATOM 0 H LEU A 63 -18.288 -5.098 -12.236 1.00 2.17 H new ATOM 0 HA LEU A 63 -16.388 -6.821 -13.584 1.00 2.09 H new ATOM 0 HB2 LEU A 63 -17.702 -6.085 -15.537 1.00 2.25 H new ATOM 0 HB3 LEU A 63 -18.811 -6.306 -14.198 1.00 2.25 H new ATOM 0 HG LEU A 63 -18.077 -3.668 -13.832 1.00 2.32 H new ATOM 0 HD11 LEU A 63 -18.184 -2.595 -16.066 1.00 2.35 H new ATOM 0 HD12 LEU A 63 -16.772 -3.671 -15.940 1.00 2.35 H new ATOM 0 HD13 LEU A 63 -18.217 -4.200 -16.834 1.00 2.35 H new ATOM 0 HD21 LEU A 63 -20.284 -3.139 -14.843 1.00 2.53 H new ATOM 0 HD22 LEU A 63 -20.317 -4.745 -15.609 1.00 2.53 H new ATOM 0 HD23 LEU A 63 -20.378 -4.603 -13.836 1.00 2.53 H new ATOM 953 N LEU A 64 -15.642 -3.654 -13.626 1.00 1.96 N ATOM 954 CA LEU A 64 -14.518 -2.737 -14.007 1.00 1.88 C ATOM 955 C LEU A 64 -13.210 -3.240 -13.383 1.00 1.80 C ATOM 956 O LEU A 64 -12.222 -3.437 -14.073 1.00 1.78 O ATOM 957 CB LEU A 64 -14.898 -1.361 -13.455 1.00 1.90 C ATOM 958 CG LEU A 64 -14.377 -0.264 -14.389 1.00 2.02 C ATOM 959 CD1 LEU A 64 -15.469 0.784 -14.598 1.00 2.14 C ATOM 960 CD2 LEU A 64 -13.147 0.401 -13.765 1.00 2.36 C ATOM 0 H LEU A 64 -16.377 -3.229 -13.061 1.00 1.96 H new ATOM 0 HA LEU A 64 -14.365 -2.694 -15.085 1.00 1.88 H new ATOM 0 HB2 LEU A 64 -15.981 -1.285 -13.358 1.00 1.90 H new ATOM 0 HB3 LEU A 64 -14.479 -1.231 -12.457 1.00 1.90 H new ATOM 0 HG LEU A 64 -14.103 -0.704 -15.348 1.00 2.02 H new ATOM 0 HD11 LEU A 64 -15.101 1.566 -15.262 1.00 2.14 H new ATOM 0 HD12 LEU A 64 -16.345 0.313 -15.043 1.00 2.14 H new ATOM 0 HD13 LEU A 64 -15.741 1.222 -13.638 1.00 2.14 H new ATOM 0 HD21 LEU A 64 -12.778 1.181 -14.431 1.00 2.36 H new ATOM 0 HD22 LEU A 64 -13.419 0.842 -12.806 1.00 2.36 H new ATOM 0 HD23 LEU A 64 -12.367 -0.346 -13.613 1.00 2.36 H new ATOM 972 N VAL A 65 -13.201 -3.478 -12.092 1.00 1.80 N ATOM 973 CA VAL A 65 -11.966 -4.002 -11.437 1.00 1.78 C ATOM 974 C VAL A 65 -11.749 -5.463 -11.854 1.00 1.72 C ATOM 975 O VAL A 65 -10.631 -5.898 -12.061 1.00 1.68 O ATOM 976 CB VAL A 65 -12.194 -3.871 -9.921 1.00 1.87 C ATOM 977 CG1 VAL A 65 -12.369 -2.397 -9.552 1.00 1.96 C ATOM 978 CG2 VAL A 65 -13.443 -4.649 -9.486 1.00 1.94 C ATOM 0 H VAL A 65 -13.994 -3.332 -11.468 1.00 1.80 H new ATOM 0 HA VAL A 65 -11.073 -3.450 -11.731 1.00 1.78 H new ATOM 0 HB VAL A 65 -11.326 -4.285 -9.408 1.00 1.87 H new ATOM 0 HG11 VAL A 65 -12.530 -2.308 -8.478 1.00 1.96 H new ATOM 0 HG12 VAL A 65 -11.473 -1.843 -9.832 1.00 1.96 H new ATOM 0 HG13 VAL A 65 -13.229 -1.989 -10.083 1.00 1.96 H new ATOM 0 HG21 VAL A 65 -13.583 -4.541 -8.410 1.00 1.94 H new ATOM 0 HG22 VAL A 65 -14.316 -4.256 -10.007 1.00 1.94 H new ATOM 0 HG23 VAL A 65 -13.319 -5.704 -9.731 1.00 1.94 H new ATOM 988 N GLN A 66 -12.816 -6.214 -12.010 1.00 1.77 N ATOM 989 CA GLN A 66 -12.683 -7.642 -12.450 1.00 1.74 C ATOM 990 C GLN A 66 -11.985 -7.688 -13.812 1.00 1.65 C ATOM 991 O GLN A 66 -11.036 -8.423 -14.015 1.00 1.59 O ATOM 992 CB GLN A 66 -14.118 -8.177 -12.553 1.00 1.85 C ATOM 993 CG GLN A 66 -14.103 -9.713 -12.567 1.00 1.84 C ATOM 994 CD GLN A 66 -15.303 -10.238 -13.360 1.00 1.80 C ATOM 995 OE1 GLN A 66 -15.166 -10.643 -14.498 1.00 1.77 O ATOM 996 NE2 GLN A 66 -16.482 -10.256 -12.812 1.00 1.96 N ATOM 0 H GLN A 66 -13.773 -5.899 -11.852 1.00 1.77 H new ATOM 0 HA GLN A 66 -12.091 -8.240 -11.758 1.00 1.74 H new ATOM 0 HB2 GLN A 66 -14.711 -7.818 -11.712 1.00 1.85 H new ATOM 0 HB3 GLN A 66 -14.592 -7.801 -13.460 1.00 1.85 H new ATOM 0 HG2 GLN A 66 -13.176 -10.072 -13.013 1.00 1.84 H new ATOM 0 HG3 GLN A 66 -14.135 -10.095 -11.547 1.00 1.84 H new ATOM 0 HE21 GLN A 66 -16.606 -9.918 -11.858 1.00 1.96 H new ATOM 0 HE22 GLN A 66 -17.283 -10.608 -13.336 1.00 1.96 H new ATOM 1005 N TYR A 67 -12.437 -6.884 -14.736 1.00 1.67 N ATOM 1006 CA TYR A 67 -11.795 -6.842 -16.086 1.00 1.66 C ATOM 1007 C TYR A 67 -10.407 -6.212 -15.968 1.00 1.63 C ATOM 1008 O TYR A 67 -9.444 -6.693 -16.534 1.00 1.62 O ATOM 1009 CB TYR A 67 -12.713 -5.971 -16.952 1.00 1.76 C ATOM 1010 CG TYR A 67 -13.602 -6.857 -17.790 1.00 1.75 C ATOM 1011 CD1 TYR A 67 -13.118 -7.399 -18.985 1.00 1.84 C ATOM 1012 CD2 TYR A 67 -14.909 -7.135 -17.373 1.00 1.84 C ATOM 1013 CE1 TYR A 67 -13.939 -8.224 -19.762 1.00 1.95 C ATOM 1014 CE2 TYR A 67 -15.730 -7.959 -18.152 1.00 1.97 C ATOM 1015 CZ TYR A 67 -15.245 -8.503 -19.347 1.00 1.99 C ATOM 1016 OH TYR A 67 -16.052 -9.316 -20.112 1.00 2.20 O ATOM 0 H TYR A 67 -13.227 -6.250 -14.615 1.00 1.67 H new ATOM 0 HA TYR A 67 -11.670 -7.835 -16.519 1.00 1.66 H new ATOM 0 HB2 TYR A 67 -13.320 -5.323 -16.320 1.00 1.76 H new ATOM 0 HB3 TYR A 67 -12.117 -5.323 -17.595 1.00 1.76 H new ATOM 0 HD1 TYR A 67 -12.111 -7.181 -19.308 1.00 1.84 H new ATOM 0 HD2 TYR A 67 -15.284 -6.714 -16.451 1.00 1.84 H new ATOM 0 HE1 TYR A 67 -13.564 -8.646 -20.683 1.00 1.95 H new ATOM 0 HE2 TYR A 67 -16.738 -8.175 -17.831 1.00 1.97 H new ATOM 0 HH TYR A 67 -16.927 -9.408 -19.680 1.00 2.20 H new ATOM 1026 N SER A 68 -10.308 -5.145 -15.221 1.00 1.67 N ATOM 1027 CA SER A 68 -8.987 -4.461 -15.034 1.00 1.71 C ATOM 1028 C SER A 68 -7.968 -5.419 -14.407 1.00 1.69 C ATOM 1029 O SER A 68 -6.792 -5.336 -14.682 1.00 1.75 O ATOM 1030 CB SER A 68 -9.263 -3.288 -14.093 1.00 1.77 C ATOM 1031 OG SER A 68 -10.118 -2.355 -14.744 1.00 1.91 O ATOM 0 H SER A 68 -11.089 -4.712 -14.727 1.00 1.67 H new ATOM 0 HA SER A 68 -8.568 -4.129 -15.984 1.00 1.71 H new ATOM 0 HB2 SER A 68 -9.728 -3.645 -13.174 1.00 1.77 H new ATOM 0 HB3 SER A 68 -8.327 -2.806 -13.810 1.00 1.77 H new ATOM 0 HG SER A 68 -11.029 -2.715 -14.779 1.00 1.91 H new ATOM 1037 N ALA A 69 -8.406 -6.327 -13.568 1.00 1.66 N ATOM 1038 CA ALA A 69 -7.449 -7.289 -12.937 1.00 1.68 C ATOM 1039 C ALA A 69 -7.267 -8.524 -13.828 1.00 1.60 C ATOM 1040 O ALA A 69 -6.163 -8.996 -14.042 1.00 1.63 O ATOM 1041 CB ALA A 69 -8.088 -7.671 -11.598 1.00 1.73 C ATOM 0 H ALA A 69 -9.382 -6.443 -13.294 1.00 1.66 H new ATOM 0 HA ALA A 69 -6.459 -6.854 -12.801 1.00 1.68 H new ATOM 0 HB1 ALA A 69 -7.443 -8.377 -11.075 1.00 1.73 H new ATOM 0 HB2 ALA A 69 -8.217 -6.777 -10.988 1.00 1.73 H new ATOM 0 HB3 ALA A 69 -9.059 -8.132 -11.777 1.00 1.73 H new ATOM 1047 N LYS A 70 -8.345 -9.047 -14.349 1.00 1.54 N ATOM 1048 CA LYS A 70 -8.247 -10.257 -15.228 1.00 1.49 C ATOM 1049 C LYS A 70 -7.491 -9.936 -16.524 1.00 1.50 C ATOM 1050 O LYS A 70 -6.757 -10.758 -17.031 1.00 1.49 O ATOM 1051 CB LYS A 70 -9.700 -10.689 -15.507 1.00 1.50 C ATOM 1052 CG LYS A 70 -10.206 -10.081 -16.823 1.00 1.51 C ATOM 1053 CD LYS A 70 -11.583 -10.660 -17.164 1.00 1.57 C ATOM 1054 CE LYS A 70 -12.564 -10.365 -16.028 1.00 1.72 C ATOM 1055 NZ LYS A 70 -13.851 -10.981 -16.458 1.00 1.59 N ATOM 0 H LYS A 70 -9.290 -8.691 -14.206 1.00 1.54 H new ATOM 0 HA LYS A 70 -7.685 -11.059 -14.749 1.00 1.49 H new ATOM 0 HB2 LYS A 70 -9.758 -11.776 -15.558 1.00 1.50 H new ATOM 0 HB3 LYS A 70 -10.342 -10.374 -14.685 1.00 1.50 H new ATOM 0 HG2 LYS A 70 -10.269 -8.997 -16.733 1.00 1.51 H new ATOM 0 HG3 LYS A 70 -9.502 -10.294 -17.627 1.00 1.51 H new ATOM 0 HD2 LYS A 70 -11.949 -10.227 -18.095 1.00 1.57 H new ATOM 0 HD3 LYS A 70 -11.507 -11.736 -17.321 1.00 1.57 H new ATOM 0 HE2 LYS A 70 -12.217 -10.792 -15.087 1.00 1.72 H new ATOM 0 HE3 LYS A 70 -12.674 -9.292 -15.870 1.00 1.72 H new ATOM 0 HZ1 LYS A 70 -14.550 -10.894 -15.693 1.00 1.59 H new ATOM 0 HZ2 LYS A 70 -14.203 -10.493 -17.306 1.00 1.59 H new ATOM 0 HZ3 LYS A 70 -13.699 -11.987 -16.675 1.00 1.59 H new ATOM 1069 N GLY A 71 -7.661 -8.750 -17.055 1.00 1.56 N ATOM 1070 CA GLY A 71 -6.947 -8.370 -18.319 1.00 1.63 C ATOM 1071 C GLY A 71 -5.456 -8.692 -18.187 1.00 1.68 C ATOM 1072 O GLY A 71 -4.941 -9.527 -18.908 1.00 1.69 O ATOM 0 H GLY A 71 -8.265 -8.025 -16.668 1.00 1.56 H new ATOM 0 HA2 GLY A 71 -7.372 -8.911 -19.165 1.00 1.63 H new ATOM 0 HA3 GLY A 71 -7.083 -7.307 -18.519 1.00 1.63 H new ATOM 1076 N PRO A 72 -4.808 -8.034 -17.252 1.00 1.74 N ATOM 1077 CA PRO A 72 -3.364 -8.281 -17.017 1.00 1.84 C ATOM 1078 C PRO A 72 -3.146 -9.703 -16.480 1.00 1.77 C ATOM 1079 O PRO A 72 -2.149 -10.334 -16.790 1.00 1.84 O ATOM 1080 CB PRO A 72 -2.977 -7.218 -15.989 1.00 1.94 C ATOM 1081 CG PRO A 72 -4.257 -6.874 -15.302 1.00 1.85 C ATOM 1082 CD PRO A 72 -5.344 -7.020 -16.333 1.00 1.76 C ATOM 0 HA PRO A 72 -2.759 -8.214 -17.921 1.00 1.84 H new ATOM 0 HB2 PRO A 72 -2.239 -7.599 -15.284 1.00 1.94 H new ATOM 0 HB3 PRO A 72 -2.538 -6.344 -16.469 1.00 1.94 H new ATOM 0 HG2 PRO A 72 -4.434 -7.537 -14.455 1.00 1.85 H new ATOM 0 HG3 PRO A 72 -4.227 -5.857 -14.911 1.00 1.85 H new ATOM 0 HD2 PRO A 72 -6.283 -7.342 -15.884 1.00 1.76 H new ATOM 0 HD3 PRO A 72 -5.541 -6.078 -16.845 1.00 1.76 H new ATOM 1090 N CYS A 73 -4.067 -10.223 -15.698 1.00 1.67 N ATOM 1091 CA CYS A 73 -3.906 -11.617 -15.171 1.00 1.63 C ATOM 1092 C CYS A 73 -4.004 -12.625 -16.321 1.00 1.56 C ATOM 1093 O CYS A 73 -3.177 -13.510 -16.458 1.00 1.59 O ATOM 1094 CB CYS A 73 -5.054 -11.816 -14.175 1.00 1.60 C ATOM 1095 SG CYS A 73 -4.749 -13.303 -13.190 1.00 1.85 S ATOM 0 H CYS A 73 -4.918 -9.744 -15.404 1.00 1.67 H new ATOM 0 HA CYS A 73 -2.937 -11.767 -14.695 1.00 1.63 H new ATOM 0 HB2 CYS A 73 -5.139 -10.946 -13.523 1.00 1.60 H new ATOM 0 HB3 CYS A 73 -6.000 -11.908 -14.708 1.00 1.60 H new ATOM 0 HG CYS A 73 -5.722 -13.470 -12.344 1.00 1.85 H new ATOM 1101 N VAL A 74 -4.996 -12.478 -17.158 1.00 1.51 N ATOM 1102 CA VAL A 74 -5.153 -13.405 -18.322 1.00 1.48 C ATOM 1103 C VAL A 74 -3.992 -13.200 -19.290 1.00 1.59 C ATOM 1104 O VAL A 74 -3.377 -14.148 -19.737 1.00 1.62 O ATOM 1105 CB VAL A 74 -6.496 -13.037 -18.972 1.00 1.46 C ATOM 1106 CG1 VAL A 74 -6.608 -13.696 -20.350 1.00 1.55 C ATOM 1107 CG2 VAL A 74 -7.643 -13.534 -18.090 1.00 1.42 C ATOM 0 H VAL A 74 -5.709 -11.752 -17.087 1.00 1.51 H new ATOM 0 HA VAL A 74 -5.145 -14.454 -18.027 1.00 1.48 H new ATOM 0 HB VAL A 74 -6.552 -11.954 -19.081 1.00 1.46 H new ATOM 0 HG11 VAL A 74 -7.563 -13.430 -20.804 1.00 1.55 H new ATOM 0 HG12 VAL A 74 -5.794 -13.349 -20.987 1.00 1.55 H new ATOM 0 HG13 VAL A 74 -6.547 -14.779 -20.242 1.00 1.55 H new ATOM 0 HG21 VAL A 74 -8.596 -13.273 -18.551 1.00 1.42 H new ATOM 0 HG22 VAL A 74 -7.576 -14.617 -17.982 1.00 1.42 H new ATOM 0 HG23 VAL A 74 -7.575 -13.067 -17.108 1.00 1.42 H new ATOM 1117 N GLU A 75 -3.676 -11.965 -19.595 1.00 1.69 N ATOM 1118 CA GLU A 75 -2.529 -11.681 -20.518 1.00 1.85 C ATOM 1119 C GLU A 75 -1.263 -12.358 -19.982 1.00 1.90 C ATOM 1120 O GLU A 75 -0.507 -12.963 -20.720 1.00 1.97 O ATOM 1121 CB GLU A 75 -2.375 -10.157 -20.516 1.00 1.97 C ATOM 1122 CG GLU A 75 -1.464 -9.724 -21.678 1.00 2.12 C ATOM 1123 CD GLU A 75 -0.054 -9.418 -21.165 1.00 2.11 C ATOM 1124 OE1 GLU A 75 0.061 -8.709 -20.179 1.00 2.25 O ATOM 1125 OE2 GLU A 75 0.891 -9.898 -21.767 1.00 2.15 O ATOM 0 H GLU A 75 -4.162 -11.140 -19.245 1.00 1.69 H new ATOM 0 HA GLU A 75 -2.698 -12.060 -21.526 1.00 1.85 H new ATOM 0 HB2 GLU A 75 -3.352 -9.683 -20.612 1.00 1.97 H new ATOM 0 HB3 GLU A 75 -1.952 -9.826 -19.567 1.00 1.97 H new ATOM 0 HG2 GLU A 75 -1.421 -10.513 -22.429 1.00 2.12 H new ATOM 0 HG3 GLU A 75 -1.880 -8.842 -22.166 1.00 2.12 H new ATOM 1132 N ARG A 76 -1.055 -12.277 -18.692 1.00 1.88 N ATOM 1133 CA ARG A 76 0.139 -12.927 -18.065 1.00 1.96 C ATOM 1134 C ARG A 76 0.075 -14.439 -18.273 1.00 1.85 C ATOM 1135 O ARG A 76 0.990 -15.047 -18.784 1.00 1.96 O ATOM 1136 CB ARG A 76 0.032 -12.612 -16.570 1.00 1.97 C ATOM 1137 CG ARG A 76 1.202 -11.730 -16.139 1.00 2.21 C ATOM 1138 CD ARG A 76 0.659 -10.552 -15.325 1.00 2.30 C ATOM 1139 NE ARG A 76 1.269 -9.331 -15.940 1.00 2.45 N ATOM 1140 CZ ARG A 76 1.109 -9.085 -17.209 1.00 2.37 C ATOM 1141 NH1 ARG A 76 -0.055 -9.211 -17.760 1.00 2.18 N ATOM 1142 NH2 ARG A 76 2.124 -8.741 -17.937 1.00 2.67 N ATOM 0 H ARG A 76 -1.666 -11.785 -18.040 1.00 1.88 H new ATOM 0 HA ARG A 76 1.073 -12.568 -18.497 1.00 1.96 H new ATOM 0 HB2 ARG A 76 -0.911 -12.107 -16.363 1.00 1.97 H new ATOM 0 HB3 ARG A 76 0.031 -13.537 -15.994 1.00 1.97 H new ATOM 0 HG2 ARG A 76 1.909 -12.306 -15.543 1.00 2.21 H new ATOM 0 HG3 ARG A 76 1.743 -11.367 -17.013 1.00 2.21 H new ATOM 0 HD2 ARG A 76 -0.429 -10.512 -15.369 1.00 2.30 H new ATOM 0 HD3 ARG A 76 0.933 -10.641 -14.274 1.00 2.30 H new ATOM 0 HE ARG A 76 1.812 -8.689 -15.363 1.00 2.45 H new ATOM 0 HH11 ARG A 76 -0.855 -9.505 -17.200 1.00 2.18 H new ATOM 0 HH12 ARG A 76 -0.172 -9.016 -18.754 1.00 2.18 H new ATOM 0 HH21 ARG A 76 3.050 -8.663 -17.517 1.00 2.67 H new ATOM 0 HH22 ARG A 76 1.997 -8.549 -18.931 1.00 2.67 H new ATOM 1156 N LYS A 77 -1.010 -15.040 -17.864 1.00 1.66 N ATOM 1157 CA LYS A 77 -1.166 -16.522 -18.017 1.00 1.57 C ATOM 1158 C LYS A 77 -1.057 -16.934 -19.487 1.00 1.59 C ATOM 1159 O LYS A 77 -0.296 -17.817 -19.840 1.00 1.66 O ATOM 1160 CB LYS A 77 -2.564 -16.828 -17.471 1.00 1.40 C ATOM 1161 CG LYS A 77 -2.438 -17.459 -16.085 1.00 1.46 C ATOM 1162 CD LYS A 77 -2.115 -18.946 -16.237 1.00 1.46 C ATOM 1163 CE LYS A 77 -3.374 -19.694 -16.678 1.00 1.45 C ATOM 1164 NZ LYS A 77 -3.711 -20.574 -15.531 1.00 1.28 N ATOM 0 H LYS A 77 -1.802 -14.568 -17.427 1.00 1.66 H new ATOM 0 HA LYS A 77 -0.388 -17.071 -17.487 1.00 1.57 H new ATOM 0 HB2 LYS A 77 -3.153 -15.913 -17.414 1.00 1.40 H new ATOM 0 HB3 LYS A 77 -3.090 -17.504 -18.145 1.00 1.40 H new ATOM 0 HG2 LYS A 77 -1.654 -16.961 -15.515 1.00 1.46 H new ATOM 0 HG3 LYS A 77 -3.366 -17.331 -15.528 1.00 1.46 H new ATOM 0 HD2 LYS A 77 -1.320 -19.084 -16.970 1.00 1.46 H new ATOM 0 HD3 LYS A 77 -1.751 -19.349 -15.292 1.00 1.46 H new ATOM 0 HE2 LYS A 77 -4.188 -19.003 -16.900 1.00 1.45 H new ATOM 0 HE3 LYS A 77 -3.193 -20.274 -17.583 1.00 1.45 H new ATOM 0 HZ1 LYS A 77 -4.714 -20.845 -15.584 1.00 1.28 H new ATOM 0 HZ2 LYS A 77 -3.119 -21.428 -15.563 1.00 1.28 H new ATOM 0 HZ3 LYS A 77 -3.537 -20.066 -14.641 1.00 1.28 H new ATOM 1178 N ALA A 78 -1.814 -16.296 -20.337 1.00 1.59 N ATOM 1179 CA ALA A 78 -1.776 -16.631 -21.797 1.00 1.68 C ATOM 1180 C ALA A 78 -0.355 -16.490 -22.347 1.00 1.88 C ATOM 1181 O ALA A 78 0.144 -17.365 -23.031 1.00 1.96 O ATOM 1182 CB ALA A 78 -2.715 -15.624 -22.467 1.00 1.72 C ATOM 0 H ALA A 78 -2.463 -15.551 -20.085 1.00 1.59 H new ATOM 0 HA ALA A 78 -2.083 -17.660 -21.985 1.00 1.68 H new ATOM 0 HB1 ALA A 78 -2.739 -15.808 -23.541 1.00 1.72 H new ATOM 0 HB2 ALA A 78 -3.719 -15.735 -22.058 1.00 1.72 H new ATOM 0 HB3 ALA A 78 -2.356 -14.612 -22.280 1.00 1.72 H new ATOM 1188 N LYS A 79 0.301 -15.405 -22.045 1.00 1.99 N ATOM 1189 CA LYS A 79 1.694 -15.218 -22.550 1.00 2.21 C ATOM 1190 C LYS A 79 2.645 -16.190 -21.834 1.00 2.22 C ATOM 1191 O LYS A 79 3.536 -16.752 -22.445 1.00 2.35 O ATOM 1192 CB LYS A 79 2.040 -13.741 -22.287 1.00 2.34 C ATOM 1193 CG LYS A 79 2.759 -13.562 -20.944 1.00 2.37 C ATOM 1194 CD LYS A 79 2.940 -12.067 -20.658 1.00 2.44 C ATOM 1195 CE LYS A 79 3.853 -11.436 -21.719 1.00 2.58 C ATOM 1196 NZ LYS A 79 2.934 -10.837 -22.739 1.00 2.58 N ATOM 0 H LYS A 79 -0.062 -14.642 -21.474 1.00 1.99 H new ATOM 0 HA LYS A 79 1.791 -15.438 -23.613 1.00 2.21 H new ATOM 0 HB2 LYS A 79 2.672 -13.365 -23.092 1.00 2.34 H new ATOM 0 HB3 LYS A 79 1.127 -13.146 -22.294 1.00 2.34 H new ATOM 0 HG2 LYS A 79 2.183 -14.029 -20.145 1.00 2.37 H new ATOM 0 HG3 LYS A 79 3.729 -14.059 -20.969 1.00 2.37 H new ATOM 0 HD2 LYS A 79 1.971 -11.568 -20.658 1.00 2.44 H new ATOM 0 HD3 LYS A 79 3.371 -11.928 -19.666 1.00 2.44 H new ATOM 0 HE2 LYS A 79 4.498 -10.676 -21.279 1.00 2.58 H new ATOM 0 HE3 LYS A 79 4.504 -12.184 -22.170 1.00 2.58 H new ATOM 0 HZ1 LYS A 79 2.989 -11.386 -23.621 1.00 2.58 H new ATOM 0 HZ2 LYS A 79 1.958 -10.855 -22.380 1.00 2.58 H new ATOM 0 HZ3 LYS A 79 3.216 -9.853 -22.925 1.00 2.58 H new ATOM 1210 N LEU A 80 2.441 -16.418 -20.555 1.00 2.11 N ATOM 1211 CA LEU A 80 3.311 -17.380 -19.811 1.00 2.14 C ATOM 1212 C LEU A 80 3.155 -18.777 -20.414 1.00 2.09 C ATOM 1213 O LEU A 80 4.111 -19.507 -20.574 1.00 2.22 O ATOM 1214 CB LEU A 80 2.806 -17.350 -18.366 1.00 2.02 C ATOM 1215 CG LEU A 80 3.713 -18.218 -17.489 1.00 2.10 C ATOM 1216 CD1 LEU A 80 4.586 -17.317 -16.619 1.00 2.41 C ATOM 1217 CD2 LEU A 80 2.857 -19.113 -16.593 1.00 2.06 C ATOM 0 H LEU A 80 1.709 -15.978 -19.997 1.00 2.11 H new ATOM 0 HA LEU A 80 4.368 -17.119 -19.865 1.00 2.14 H new ATOM 0 HB2 LEU A 80 2.796 -16.325 -17.994 1.00 2.02 H new ATOM 0 HB3 LEU A 80 1.780 -17.716 -18.321 1.00 2.02 H new ATOM 0 HG LEU A 80 4.344 -18.840 -18.124 1.00 2.10 H new ATOM 0 HD11 LEU A 80 5.233 -17.932 -15.993 1.00 2.41 H new ATOM 0 HD12 LEU A 80 5.198 -16.678 -17.256 1.00 2.41 H new ATOM 0 HD13 LEU A 80 3.951 -16.697 -15.986 1.00 2.41 H new ATOM 0 HD21 LEU A 80 3.505 -19.730 -15.970 1.00 2.06 H new ATOM 0 HD22 LEU A 80 2.225 -18.493 -15.957 1.00 2.06 H new ATOM 0 HD23 LEU A 80 2.231 -19.755 -17.212 1.00 2.06 H new ATOM 1229 N MET A 81 1.951 -19.129 -20.772 1.00 1.92 N ATOM 1230 CA MET A 81 1.706 -20.458 -21.405 1.00 1.89 C ATOM 1231 C MET A 81 2.223 -20.419 -22.851 1.00 2.10 C ATOM 1232 O MET A 81 2.754 -21.384 -23.360 1.00 2.21 O ATOM 1233 CB MET A 81 0.188 -20.635 -21.370 1.00 1.71 C ATOM 1234 CG MET A 81 -0.187 -22.003 -21.940 1.00 1.74 C ATOM 1235 SD MET A 81 -1.935 -21.999 -22.401 1.00 2.00 S ATOM 1236 CE MET A 81 -1.723 -22.584 -24.100 1.00 2.57 C ATOM 0 H MET A 81 1.120 -18.550 -20.653 1.00 1.92 H new ATOM 0 HA MET A 81 2.211 -21.280 -20.898 1.00 1.89 H new ATOM 0 HB2 MET A 81 -0.174 -20.546 -20.346 1.00 1.71 H new ATOM 0 HB3 MET A 81 -0.293 -19.846 -21.948 1.00 1.71 H new ATOM 0 HG2 MET A 81 0.430 -22.229 -22.810 1.00 1.74 H new ATOM 0 HG3 MET A 81 0.005 -22.782 -21.202 1.00 1.74 H new ATOM 0 HE1 MET A 81 -2.679 -22.539 -24.622 1.00 2.57 H new ATOM 0 HE2 MET A 81 -0.998 -21.953 -24.614 1.00 2.57 H new ATOM 0 HE3 MET A 81 -1.364 -23.613 -24.088 1.00 2.57 H new ATOM 1246 N THR A 82 2.074 -19.287 -23.500 1.00 2.20 N ATOM 1247 CA THR A 82 2.558 -19.122 -24.908 1.00 2.44 C ATOM 1248 C THR A 82 1.911 -20.142 -25.858 1.00 2.47 C ATOM 1249 O THR A 82 2.571 -21.039 -26.348 1.00 2.62 O ATOM 1250 CB THR A 82 4.084 -19.322 -24.859 1.00 2.63 C ATOM 1251 OG1 THR A 82 4.644 -18.656 -23.729 1.00 2.65 O ATOM 1252 CG2 THR A 82 4.711 -18.756 -26.134 1.00 2.88 C ATOM 0 H THR A 82 1.630 -18.458 -23.106 1.00 2.20 H new ATOM 0 HA THR A 82 2.289 -18.138 -25.293 1.00 2.44 H new ATOM 0 HB THR A 82 4.292 -20.389 -24.778 1.00 2.63 H new ATOM 0 HG1 THR A 82 4.220 -17.779 -23.623 1.00 2.65 H new ATOM 0 HG21 THR A 82 5.791 -18.896 -26.101 1.00 2.88 H new ATOM 0 HG22 THR A 82 4.303 -19.275 -27.001 1.00 2.88 H new ATOM 0 HG23 THR A 82 4.486 -17.692 -26.209 1.00 2.88 H new ATOM 1260 N PRO A 83 0.638 -19.950 -26.127 1.00 2.38 N ATOM 1261 CA PRO A 83 -0.083 -20.848 -27.069 1.00 2.47 C ATOM 1262 C PRO A 83 0.303 -20.544 -28.534 1.00 2.79 C ATOM 1263 O PRO A 83 -0.351 -21.000 -29.454 1.00 2.96 O ATOM 1264 CB PRO A 83 -1.554 -20.521 -26.816 1.00 2.32 C ATOM 1265 CG PRO A 83 -1.558 -19.126 -26.276 1.00 2.26 C ATOM 1266 CD PRO A 83 -0.238 -18.904 -25.582 1.00 2.26 C ATOM 0 HA PRO A 83 0.154 -21.901 -26.914 1.00 2.47 H new ATOM 0 HB2 PRO A 83 -2.136 -20.589 -27.735 1.00 2.32 H new ATOM 0 HB3 PRO A 83 -1.996 -21.220 -26.106 1.00 2.32 H new ATOM 0 HG2 PRO A 83 -1.694 -18.404 -27.081 1.00 2.26 H new ATOM 0 HG3 PRO A 83 -2.385 -18.987 -25.580 1.00 2.26 H new ATOM 0 HD2 PRO A 83 0.156 -17.909 -25.786 1.00 2.26 H new ATOM 0 HD3 PRO A 83 -0.337 -18.992 -24.500 1.00 2.26 H new ATOM 1274 N ASN A 84 1.346 -19.767 -28.756 1.00 2.94 N ATOM 1275 CA ASN A 84 1.768 -19.416 -30.150 1.00 3.29 C ATOM 1276 C ASN A 84 0.641 -18.670 -30.882 1.00 3.51 C ATOM 1277 O ASN A 84 0.599 -18.630 -32.100 1.00 3.84 O ATOM 1278 CB ASN A 84 2.079 -20.754 -30.833 1.00 3.41 C ATOM 1279 CG ASN A 84 3.186 -20.553 -31.865 1.00 3.71 C ATOM 1280 OD1 ASN A 84 4.228 -21.164 -31.782 1.00 3.80 O ATOM 1281 ND2 ASN A 84 3.004 -19.716 -32.843 1.00 3.99 N ATOM 0 H ASN A 84 1.925 -19.360 -28.021 1.00 2.94 H new ATOM 0 HA ASN A 84 2.634 -18.754 -30.160 1.00 3.29 H new ATOM 0 HB2 ASN A 84 2.388 -21.490 -30.091 1.00 3.41 H new ATOM 0 HB3 ASN A 84 1.183 -21.145 -31.316 1.00 3.41 H new ATOM 0 HD21 ASN A 84 3.738 -19.576 -33.537 1.00 3.99 H new ATOM 0 HD22 ASN A 84 2.127 -19.200 -32.916 1.00 3.99 H new ATOM 1288 N GLY A 85 -0.272 -18.077 -30.147 1.00 3.40 N ATOM 1289 CA GLY A 85 -1.399 -17.330 -30.789 1.00 3.67 C ATOM 1290 C GLY A 85 -1.251 -15.826 -30.527 1.00 3.77 C ATOM 1291 O GLY A 85 -0.849 -15.087 -31.404 1.00 4.03 O ATOM 0 H GLY A 85 -0.284 -18.079 -29.127 1.00 3.40 H new ATOM 0 HA2 GLY A 85 -1.408 -17.521 -31.862 1.00 3.67 H new ATOM 0 HA3 GLY A 85 -2.352 -17.684 -30.395 1.00 3.67 H new ATOM 1295 N PRO A 86 -1.590 -15.418 -29.324 1.00 3.60 N ATOM 1296 CA PRO A 86 -1.493 -13.988 -28.951 1.00 3.75 C ATOM 1297 C PRO A 86 -0.053 -13.609 -28.584 1.00 3.71 C ATOM 1298 O PRO A 86 0.675 -13.097 -29.412 1.00 3.95 O ATOM 1299 CB PRO A 86 -2.442 -13.869 -27.760 1.00 3.63 C ATOM 1300 CG PRO A 86 -2.523 -15.242 -27.162 1.00 3.32 C ATOM 1301 CD PRO A 86 -2.090 -16.238 -28.214 1.00 3.34 C ATOM 0 HA PRO A 86 -1.760 -13.311 -29.762 1.00 3.75 H new ATOM 0 HB2 PRO A 86 -2.069 -13.148 -27.033 1.00 3.63 H new ATOM 0 HB3 PRO A 86 -3.425 -13.522 -28.077 1.00 3.63 H new ATOM 0 HG2 PRO A 86 -1.882 -15.313 -26.283 1.00 3.32 H new ATOM 0 HG3 PRO A 86 -3.540 -15.454 -26.832 1.00 3.32 H new ATOM 0 HD2 PRO A 86 -1.315 -16.903 -27.833 1.00 3.34 H new ATOM 0 HD3 PRO A 86 -2.923 -16.866 -28.530 1.00 3.34 H new ATOM 1309 N GLU A 87 0.353 -13.836 -27.353 1.00 3.48 N ATOM 1310 CA GLU A 87 1.738 -13.480 -26.893 1.00 3.52 C ATOM 1311 C GLU A 87 1.930 -11.961 -26.947 1.00 3.86 C ATOM 1312 O GLU A 87 2.211 -11.319 -25.951 1.00 3.94 O ATOM 1313 CB GLU A 87 2.687 -14.217 -27.847 1.00 3.53 C ATOM 1314 CG GLU A 87 3.183 -15.509 -27.185 1.00 3.18 C ATOM 1315 CD GLU A 87 1.986 -16.367 -26.773 1.00 3.01 C ATOM 1316 OE1 GLU A 87 1.480 -16.158 -25.681 1.00 3.17 O ATOM 1317 OE2 GLU A 87 1.592 -17.217 -27.554 1.00 2.91 O ATOM 0 H GLU A 87 -0.231 -14.262 -26.633 1.00 3.48 H new ATOM 0 HA GLU A 87 1.929 -13.774 -25.861 1.00 3.52 H new ATOM 0 HB2 GLU A 87 2.173 -14.449 -28.780 1.00 3.53 H new ATOM 0 HB3 GLU A 87 3.533 -13.578 -28.100 1.00 3.53 H new ATOM 0 HG2 GLU A 87 3.819 -16.062 -27.876 1.00 3.18 H new ATOM 0 HG3 GLU A 87 3.791 -15.272 -26.312 1.00 3.18 H new ATOM 1324 N VAL A 88 1.733 -11.395 -28.097 1.00 4.11 N ATOM 1325 CA VAL A 88 1.847 -9.916 -28.263 1.00 4.48 C ATOM 1326 C VAL A 88 0.442 -9.281 -28.317 1.00 4.68 C ATOM 1327 O VAL A 88 0.287 -8.099 -28.085 1.00 5.01 O ATOM 1328 CB VAL A 88 2.610 -9.705 -29.583 1.00 4.69 C ATOM 1329 CG1 VAL A 88 1.750 -10.129 -30.777 1.00 4.80 C ATOM 1330 CG2 VAL A 88 2.965 -8.224 -29.731 1.00 5.08 C ATOM 0 H VAL A 88 1.493 -11.900 -28.950 1.00 4.11 H new ATOM 0 HA VAL A 88 2.370 -9.445 -27.431 1.00 4.48 H new ATOM 0 HB VAL A 88 3.515 -10.312 -29.562 1.00 4.69 H new ATOM 0 HG11 VAL A 88 2.307 -9.972 -31.701 1.00 4.80 H new ATOM 0 HG12 VAL A 88 1.492 -11.184 -30.683 1.00 4.80 H new ATOM 0 HG13 VAL A 88 0.838 -9.533 -30.798 1.00 4.80 H new ATOM 0 HG21 VAL A 88 3.506 -8.071 -30.665 1.00 5.08 H new ATOM 0 HG22 VAL A 88 2.051 -7.630 -29.739 1.00 5.08 H new ATOM 0 HG23 VAL A 88 3.591 -7.915 -28.894 1.00 5.08 H new ATOM 1340 N HIS A 89 -0.582 -10.065 -28.612 1.00 4.53 N ATOM 1341 CA HIS A 89 -1.982 -9.521 -28.670 1.00 4.77 C ATOM 1342 C HIS A 89 -2.068 -8.312 -29.625 1.00 5.27 C ATOM 1343 O HIS A 89 -2.633 -7.284 -29.297 1.00 5.56 O ATOM 1344 CB HIS A 89 -2.313 -9.120 -27.224 1.00 4.77 C ATOM 1345 CG HIS A 89 -2.749 -10.337 -26.447 1.00 4.33 C ATOM 1346 ND1 HIS A 89 -1.920 -10.968 -25.533 1.00 4.15 N ATOM 1347 CD2 HIS A 89 -3.923 -11.048 -26.440 1.00 4.18 C ATOM 1348 CE1 HIS A 89 -2.603 -12.011 -25.019 1.00 3.88 C ATOM 1349 NE2 HIS A 89 -3.828 -12.103 -25.537 1.00 3.88 N ATOM 0 H HIS A 89 -0.503 -11.061 -28.815 1.00 4.53 H new ATOM 0 HA HIS A 89 -2.690 -10.253 -29.057 1.00 4.77 H new ATOM 0 HB2 HIS A 89 -1.440 -8.669 -26.752 1.00 4.77 H new ATOM 0 HB3 HIS A 89 -3.103 -8.369 -27.216 1.00 4.77 H new ATOM 0 HD2 HIS A 89 -4.790 -10.823 -27.044 1.00 4.18 H new ATOM 0 HE1 HIS A 89 -2.206 -12.689 -24.278 1.00 3.88 H new ATOM 0 HE2 HIS A 89 -4.542 -12.798 -25.318 1.00 3.88 H new ATOM 1357 N GLY A 90 -1.518 -8.439 -30.811 1.00 5.44 N ATOM 1358 CA GLY A 90 -1.562 -7.317 -31.801 1.00 5.96 C ATOM 1359 C GLY A 90 -0.718 -7.677 -33.023 1.00 6.21 C ATOM 1360 O GLY A 90 -1.127 -8.556 -33.763 1.00 6.57 O ATOM 1361 OXT GLY A 90 0.325 -7.069 -33.197 1.00 6.27 O ATOM 0 H GLY A 90 -1.038 -9.278 -31.136 1.00 5.44 H new ATOM 0 HA2 GLY A 90 -2.592 -7.124 -32.102 1.00 5.96 H new ATOM 0 HA3 GLY A 90 -1.187 -6.401 -31.345 1.00 5.96 H new TER 1365 GLY A 90