USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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 41 GLN : amide:sc=-0.00373 X(o=-0.0085,f=-0.43) USER MOD Set 1.2: A 54 GLN : amide:sc=-0.00475 K(o=-0.0085,f=-0.75) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.186 (180deg=-0.186) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0226 (180deg=-0.00202) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.027 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-7.67e-05 X(o=-7.7e-05,f=-0.0078) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.44 (180deg=0.314) USER MOD Single : A 36 SER OG : rot 39:sc= 0.541 USER MOD Single : A 37 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.5!) USER MOD Single : A 44 GLN : amide:sc= -0.485 K(o=-0.48,f=-1.7) USER MOD Single : A 49 GLN : amide:sc= 0.485 K(o=0.48,f=-0.45) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 4:sc= 0.648 USER MOD Single : A 66 CYS SG : rot 120:sc= -6.41! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 72 SER OG : rot 140:sc= -0.65 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.128 7.675 9.680 1.00 70.22 N ATOM 2 CA MET A 1 -5.602 6.940 8.502 1.00 45.13 C ATOM 3 C MET A 1 -4.564 5.886 8.922 1.00 14.11 C ATOM 4 O MET A 1 -3.836 6.069 9.904 1.00 15.41 O ATOM 5 CB MET A 1 -5.022 7.926 7.455 1.00 64.54 C ATOM 6 CG MET A 1 -6.096 8.813 6.816 1.00 71.32 C ATOM 7 SD MET A 1 -7.455 7.832 6.132 1.00 5.13 S ATOM 8 CE MET A 1 -8.670 9.098 5.765 1.00 42.33 C ATOM 0 H1 MET A 1 -7.128 7.430 9.824 1.00 70.22 H new ATOM 0 H2 MET A 1 -5.582 7.412 10.525 1.00 70.22 H new ATOM 0 H3 MET A 1 -6.042 8.699 9.517 1.00 70.22 H new ATOM 0 HA MET A 1 -6.431 6.408 8.035 1.00 45.13 H new ATOM 0 HB2 MET A 1 -4.273 8.557 7.933 1.00 64.54 H new ATOM 0 HB3 MET A 1 -4.512 7.361 6.675 1.00 64.54 H new ATOM 0 HG2 MET A 1 -6.487 9.506 7.561 1.00 71.32 H new ATOM 0 HG3 MET A 1 -5.648 9.415 6.025 1.00 71.32 H new ATOM 0 HE1 MET A 1 -9.560 8.635 5.338 1.00 42.33 H new ATOM 0 HE2 MET A 1 -8.938 9.622 6.683 1.00 42.33 H new ATOM 0 HE3 MET A 1 -8.252 9.808 5.051 1.00 42.33 H new ATOM 18 N THR A 2 -4.513 4.786 8.158 1.00 20.12 N ATOM 19 CA THR A 2 -3.729 3.580 8.499 1.00 31.15 C ATOM 20 C THR A 2 -2.249 3.752 8.052 1.00 14.32 C ATOM 21 O THR A 2 -1.873 3.369 6.950 1.00 34.42 O ATOM 22 CB THR A 2 -4.401 2.315 7.832 1.00 35.34 C ATOM 23 OG1 THR A 2 -5.830 2.363 8.018 1.00 43.45 O ATOM 24 CG2 THR A 2 -3.881 0.978 8.397 1.00 11.13 C ATOM 0 H THR A 2 -5.018 4.703 7.276 1.00 20.12 H new ATOM 0 HA THR A 2 -3.724 3.435 9.579 1.00 31.15 H new ATOM 0 HB THR A 2 -4.138 2.353 6.775 1.00 35.34 H new ATOM 0 HG1 THR A 2 -6.241 1.577 7.601 1.00 43.45 H new ATOM 0 HG21 THR A 2 -4.384 0.151 7.896 1.00 11.13 H new ATOM 0 HG22 THR A 2 -2.807 0.905 8.229 1.00 11.13 H new ATOM 0 HG23 THR A 2 -4.085 0.931 9.467 1.00 11.13 H new ATOM 32 N ARG A 3 -1.429 4.375 8.922 1.00 42.23 N ATOM 33 CA ARG A 3 -0.045 4.816 8.586 1.00 34.30 C ATOM 34 C ARG A 3 0.988 3.674 8.756 1.00 52.11 C ATOM 35 O ARG A 3 0.863 2.849 9.665 1.00 12.20 O ATOM 36 CB ARG A 3 0.351 6.003 9.504 1.00 50.24 C ATOM 37 CG ARG A 3 -0.648 7.183 9.494 1.00 44.43 C ATOM 38 CD ARG A 3 -0.306 8.265 10.535 1.00 0.13 C ATOM 39 NE ARG A 3 -0.258 7.719 11.908 1.00 51.34 N ATOM 40 CZ ARG A 3 -0.487 8.386 13.017 1.00 25.52 C ATOM 41 NH1 ARG A 3 -0.893 9.618 13.004 1.00 70.30 N ATOM 42 NH2 ARG A 3 -0.326 7.793 14.152 1.00 31.33 N ATOM 0 H ARG A 3 -1.701 4.591 9.881 1.00 42.23 H new ATOM 0 HA ARG A 3 -0.038 5.119 7.539 1.00 34.30 H new ATOM 0 HB2 ARG A 3 0.452 5.637 10.526 1.00 50.24 H new ATOM 0 HB3 ARG A 3 1.331 6.370 9.199 1.00 50.24 H new ATOM 0 HG2 ARG A 3 -0.662 7.632 8.501 1.00 44.43 H new ATOM 0 HG3 ARG A 3 -1.652 6.805 9.687 1.00 44.43 H new ATOM 0 HD2 ARG A 3 0.657 8.713 10.289 1.00 0.13 H new ATOM 0 HD3 ARG A 3 -1.049 9.061 10.487 1.00 0.13 H new ATOM 0 HE ARG A 3 -0.025 6.731 12.004 1.00 51.34 H new ATOM 0 HH11 ARG A 3 -1.043 10.096 12.116 1.00 70.30 H new ATOM 0 HH12 ARG A 3 -1.062 10.109 13.882 1.00 70.30 H new ATOM 0 HH21 ARG A 3 -0.025 6.819 14.180 1.00 31.33 H new ATOM 0 HH22 ARG A 3 -0.500 8.298 15.021 1.00 31.33 H new ATOM 56 N VAL A 4 2.016 3.648 7.872 1.00 73.31 N ATOM 57 CA VAL A 4 3.139 2.659 7.917 1.00 74.14 C ATOM 58 C VAL A 4 4.495 3.354 7.592 1.00 74.42 C ATOM 59 O VAL A 4 4.585 4.138 6.651 1.00 42.42 O ATOM 60 CB VAL A 4 2.911 1.453 6.904 1.00 74.22 C ATOM 61 CG1 VAL A 4 4.150 0.517 6.817 1.00 43.30 C ATOM 62 CG2 VAL A 4 1.646 0.630 7.268 1.00 63.30 C ATOM 0 H VAL A 4 2.096 4.312 7.102 1.00 73.31 H new ATOM 0 HA VAL A 4 3.166 2.256 8.929 1.00 74.14 H new ATOM 0 HB VAL A 4 2.760 1.903 5.923 1.00 74.22 H new ATOM 0 HG11 VAL A 4 3.947 -0.291 6.114 1.00 43.30 H new ATOM 0 HG12 VAL A 4 5.014 1.087 6.475 1.00 43.30 H new ATOM 0 HG13 VAL A 4 4.359 0.097 7.801 1.00 43.30 H new ATOM 0 HG21 VAL A 4 1.524 -0.184 6.554 1.00 63.30 H new ATOM 0 HG22 VAL A 4 1.756 0.219 8.272 1.00 63.30 H new ATOM 0 HG23 VAL A 4 0.769 1.277 7.235 1.00 63.30 H new ATOM 72 N ARG A 5 5.541 3.071 8.398 1.00 70.21 N ATOM 73 CA ARG A 5 6.942 3.507 8.115 1.00 43.12 C ATOM 74 C ARG A 5 7.776 2.338 7.525 1.00 11.15 C ATOM 75 O ARG A 5 7.568 1.173 7.884 1.00 11.04 O ATOM 76 CB ARG A 5 7.626 4.087 9.402 1.00 20.23 C ATOM 77 CG ARG A 5 7.389 5.601 9.667 1.00 3.40 C ATOM 78 CD ARG A 5 5.913 5.989 9.849 1.00 52.21 C ATOM 79 NE ARG A 5 5.748 7.443 10.058 1.00 43.44 N ATOM 80 CZ ARG A 5 4.714 8.025 10.636 1.00 45.41 C ATOM 81 NH1 ARG A 5 3.752 7.330 11.167 1.00 20.53 N ATOM 82 NH2 ARG A 5 4.667 9.314 10.710 1.00 55.54 N ATOM 0 H ARG A 5 5.448 2.537 9.262 1.00 70.21 H new ATOM 0 HA ARG A 5 6.900 4.303 7.372 1.00 43.12 H new ATOM 0 HB2 ARG A 5 7.269 3.526 10.265 1.00 20.23 H new ATOM 0 HB3 ARG A 5 8.700 3.913 9.330 1.00 20.23 H new ATOM 0 HG2 ARG A 5 7.942 5.892 10.560 1.00 3.40 H new ATOM 0 HG3 ARG A 5 7.803 6.172 8.836 1.00 3.40 H new ATOM 0 HD2 ARG A 5 5.346 5.682 8.970 1.00 52.21 H new ATOM 0 HD3 ARG A 5 5.498 5.450 10.701 1.00 52.21 H new ATOM 0 HE ARG A 5 6.498 8.049 9.727 1.00 43.44 H new ATOM 0 HH11 ARG A 5 3.786 6.311 11.143 1.00 20.53 H new ATOM 0 HH12 ARG A 5 2.964 7.804 11.608 1.00 20.53 H new ATOM 0 HH21 ARG A 5 5.426 9.875 10.323 1.00 55.54 H new ATOM 0 HH22 ARG A 5 3.871 9.771 11.155 1.00 55.54 H new ATOM 96 N SER A 6 8.716 2.665 6.611 1.00 24.51 N ATOM 97 CA SER A 6 9.588 1.658 5.947 1.00 22.43 C ATOM 98 C SER A 6 11.048 2.159 5.824 1.00 53.04 C ATOM 99 O SER A 6 11.326 3.357 5.977 1.00 73.15 O ATOM 100 CB SER A 6 9.029 1.306 4.541 1.00 72.30 C ATOM 101 OG SER A 6 9.798 0.288 3.902 1.00 41.33 O ATOM 0 H SER A 6 8.894 3.624 6.312 1.00 24.51 H new ATOM 0 HA SER A 6 9.591 0.763 6.570 1.00 22.43 H new ATOM 0 HB2 SER A 6 7.995 0.975 4.634 1.00 72.30 H new ATOM 0 HB3 SER A 6 9.023 2.201 3.918 1.00 72.30 H new ATOM 0 HG SER A 6 9.415 0.093 3.021 1.00 41.33 H new ATOM 107 N THR A 7 11.979 1.221 5.568 1.00 10.24 N ATOM 108 CA THR A 7 13.409 1.529 5.308 1.00 13.33 C ATOM 109 C THR A 7 13.720 1.552 3.795 1.00 25.42 C ATOM 110 O THR A 7 13.141 0.761 3.037 1.00 62.34 O ATOM 111 CB THR A 7 14.368 0.495 6.001 1.00 72.04 C ATOM 112 OG1 THR A 7 13.960 -0.854 5.699 1.00 31.53 O ATOM 113 CG2 THR A 7 14.415 0.721 7.517 1.00 24.13 C ATOM 0 H THR A 7 11.766 0.224 5.534 1.00 10.24 H new ATOM 0 HA THR A 7 13.584 2.518 5.731 1.00 13.33 H new ATOM 0 HB THR A 7 15.373 0.647 5.607 1.00 72.04 H new ATOM 0 HG1 THR A 7 14.568 -1.485 6.137 1.00 31.53 H new ATOM 0 HG21 THR A 7 15.086 -0.007 7.973 1.00 24.13 H new ATOM 0 HG22 THR A 7 14.778 1.728 7.724 1.00 24.13 H new ATOM 0 HG23 THR A 7 13.415 0.604 7.934 1.00 24.13 H new ATOM 121 N PRO A 8 14.667 2.442 3.338 1.00 62.14 N ATOM 122 CA PRO A 8 15.074 2.528 1.921 1.00 5.10 C ATOM 123 C PRO A 8 15.891 1.287 1.474 1.00 25.25 C ATOM 124 O PRO A 8 17.109 1.217 1.662 1.00 30.45 O ATOM 125 CB PRO A 8 15.885 3.848 1.890 1.00 52.42 C ATOM 126 CG PRO A 8 16.492 3.934 3.247 1.00 32.14 C ATOM 127 CD PRO A 8 15.413 3.429 4.171 1.00 54.14 C ATOM 0 HA PRO A 8 14.240 2.535 1.219 1.00 5.10 H new ATOM 0 HB2 PRO A 8 16.649 3.828 1.112 1.00 52.42 H new ATOM 0 HB3 PRO A 8 15.244 4.705 1.685 1.00 52.42 H new ATOM 0 HG2 PRO A 8 17.394 3.326 3.319 1.00 32.14 H new ATOM 0 HG3 PRO A 8 16.778 4.957 3.491 1.00 32.14 H new ATOM 0 HD2 PRO A 8 15.834 2.963 5.062 1.00 54.14 H new ATOM 0 HD3 PRO A 8 14.765 4.238 4.510 1.00 54.14 H new ATOM 135 N GLY A 9 15.177 0.284 0.939 1.00 20.33 N ATOM 136 CA GLY A 9 15.788 -0.996 0.527 1.00 4.25 C ATOM 137 C GLY A 9 15.036 -2.222 1.054 1.00 35.34 C ATOM 138 O GLY A 9 15.266 -3.344 0.586 1.00 23.15 O ATOM 0 H GLY A 9 14.171 0.333 0.780 1.00 20.33 H new ATOM 0 HA2 GLY A 9 15.824 -1.040 -0.562 1.00 4.25 H new ATOM 0 HA3 GLY A 9 16.818 -1.030 0.881 1.00 4.25 H new ATOM 142 N GLY A 10 14.145 -2.013 2.042 1.00 2.24 N ATOM 143 CA GLY A 10 13.255 -3.076 2.555 1.00 72.43 C ATOM 144 C GLY A 10 11.837 -2.967 1.981 1.00 74.03 C ATOM 145 O GLY A 10 11.380 -1.855 1.695 1.00 52.13 O ATOM 0 H GLY A 10 14.021 -1.112 2.504 1.00 2.24 H new ATOM 0 HA2 GLY A 10 13.673 -4.051 2.304 1.00 72.43 H new ATOM 0 HA3 GLY A 10 13.211 -3.018 3.643 1.00 72.43 H new ATOM 149 N ASP A 11 11.130 -4.111 1.820 1.00 75.42 N ATOM 150 CA ASP A 11 9.788 -4.126 1.195 1.00 21.03 C ATOM 151 C ASP A 11 8.734 -3.421 2.083 1.00 3.24 C ATOM 152 O ASP A 11 8.662 -3.647 3.296 1.00 54.31 O ATOM 153 CB ASP A 11 9.332 -5.571 0.826 1.00 10.43 C ATOM 154 CG ASP A 11 9.057 -6.483 2.031 1.00 11.13 C ATOM 155 OD1 ASP A 11 10.026 -6.953 2.658 1.00 13.22 O ATOM 156 OD2 ASP A 11 7.869 -6.728 2.361 1.00 15.33 O ATOM 0 H ASP A 11 11.465 -5.029 2.112 1.00 75.42 H new ATOM 0 HA ASP A 11 9.870 -3.562 0.266 1.00 21.03 H new ATOM 0 HB2 ASP A 11 8.428 -5.509 0.220 1.00 10.43 H new ATOM 0 HB3 ASP A 11 10.100 -6.033 0.206 1.00 10.43 H new ATOM 161 N LEU A 12 7.963 -2.520 1.466 1.00 61.53 N ATOM 162 CA LEU A 12 6.813 -1.880 2.109 1.00 11.45 C ATOM 163 C LEU A 12 5.610 -2.843 2.102 1.00 44.43 C ATOM 164 O LEU A 12 4.900 -2.933 1.105 1.00 60.55 O ATOM 165 CB LEU A 12 6.466 -0.578 1.345 1.00 41.04 C ATOM 166 CG LEU A 12 5.181 0.166 1.816 1.00 53.42 C ATOM 167 CD1 LEU A 12 5.336 0.706 3.252 1.00 24.45 C ATOM 168 CD2 LEU A 12 4.786 1.268 0.814 1.00 2.54 C ATOM 0 H LEU A 12 8.120 -2.214 0.506 1.00 61.53 H new ATOM 0 HA LEU A 12 7.055 -1.636 3.143 1.00 11.45 H new ATOM 0 HB2 LEU A 12 7.310 0.106 1.430 1.00 41.04 H new ATOM 0 HB3 LEU A 12 6.356 -0.819 0.288 1.00 41.04 H new ATOM 0 HG LEU A 12 4.362 -0.553 1.842 1.00 53.42 H new ATOM 0 HD11 LEU A 12 4.421 1.219 3.548 1.00 24.45 H new ATOM 0 HD12 LEU A 12 5.524 -0.123 3.934 1.00 24.45 H new ATOM 0 HD13 LEU A 12 6.172 1.404 3.290 1.00 24.45 H new ATOM 0 HD21 LEU A 12 3.886 1.773 1.165 1.00 2.54 H new ATOM 0 HD22 LEU A 12 5.598 1.990 0.729 1.00 2.54 H new ATOM 0 HD23 LEU A 12 4.594 0.821 -0.162 1.00 2.54 H new ATOM 180 N GLU A 13 5.377 -3.541 3.219 1.00 64.31 N ATOM 181 CA GLU A 13 4.259 -4.497 3.335 1.00 63.43 C ATOM 182 C GLU A 13 3.098 -3.860 4.122 1.00 54.30 C ATOM 183 O GLU A 13 3.215 -3.626 5.326 1.00 62.12 O ATOM 184 CB GLU A 13 4.724 -5.815 4.019 1.00 23.41 C ATOM 185 CG GLU A 13 3.621 -6.886 4.130 1.00 53.14 C ATOM 186 CD GLU A 13 4.093 -8.186 4.800 1.00 13.43 C ATOM 187 OE1 GLU A 13 4.116 -8.243 6.046 1.00 61.04 O ATOM 188 OE2 GLU A 13 4.440 -9.155 4.087 1.00 74.15 O ATOM 0 H GLU A 13 5.948 -3.464 4.061 1.00 64.31 H new ATOM 0 HA GLU A 13 3.911 -4.744 2.332 1.00 63.43 H new ATOM 0 HB2 GLU A 13 5.562 -6.228 3.457 1.00 23.41 H new ATOM 0 HB3 GLU A 13 5.093 -5.583 5.018 1.00 23.41 H new ATOM 0 HG2 GLU A 13 2.785 -6.477 4.697 1.00 53.14 H new ATOM 0 HG3 GLU A 13 3.247 -7.116 3.132 1.00 53.14 H new ATOM 195 N LEU A 14 1.994 -3.557 3.424 1.00 20.34 N ATOM 196 CA LEU A 14 0.777 -3.000 4.041 1.00 63.25 C ATOM 197 C LEU A 14 -0.185 -4.152 4.403 1.00 24.02 C ATOM 198 O LEU A 14 -0.828 -4.726 3.522 1.00 42.22 O ATOM 199 CB LEU A 14 0.106 -1.998 3.051 1.00 54.01 C ATOM 200 CG LEU A 14 1.022 -0.837 2.535 1.00 54.13 C ATOM 201 CD1 LEU A 14 0.257 0.121 1.605 1.00 14.20 C ATOM 202 CD2 LEU A 14 1.666 -0.062 3.697 1.00 10.41 C ATOM 0 H LEU A 14 1.918 -3.690 2.416 1.00 20.34 H new ATOM 0 HA LEU A 14 1.031 -2.462 4.955 1.00 63.25 H new ATOM 0 HB2 LEU A 14 -0.261 -2.557 2.190 1.00 54.01 H new ATOM 0 HB3 LEU A 14 -0.764 -1.560 3.540 1.00 54.01 H new ATOM 0 HG LEU A 14 1.821 -1.301 1.956 1.00 54.13 H new ATOM 0 HD11 LEU A 14 0.926 0.913 1.268 1.00 14.20 H new ATOM 0 HD12 LEU A 14 -0.116 -0.430 0.742 1.00 14.20 H new ATOM 0 HD13 LEU A 14 -0.582 0.560 2.145 1.00 14.20 H new ATOM 0 HD21 LEU A 14 2.294 0.735 3.299 1.00 10.41 H new ATOM 0 HD22 LEU A 14 0.885 0.370 4.323 1.00 10.41 H new ATOM 0 HD23 LEU A 14 2.276 -0.741 4.293 1.00 10.41 H new ATOM 214 N VAL A 15 -0.249 -4.501 5.704 1.00 73.32 N ATOM 215 CA VAL A 15 -1.145 -5.572 6.206 1.00 1.03 C ATOM 216 C VAL A 15 -2.483 -4.936 6.644 1.00 53.30 C ATOM 217 O VAL A 15 -2.579 -4.335 7.723 1.00 62.25 O ATOM 218 CB VAL A 15 -0.485 -6.363 7.403 1.00 34.13 C ATOM 219 CG1 VAL A 15 -1.341 -7.589 7.821 1.00 22.34 C ATOM 220 CG2 VAL A 15 0.966 -6.785 7.056 1.00 65.32 C ATOM 0 H VAL A 15 0.311 -4.057 6.432 1.00 73.32 H new ATOM 0 HA VAL A 15 -1.322 -6.291 5.406 1.00 1.03 H new ATOM 0 HB VAL A 15 -0.445 -5.689 8.259 1.00 34.13 H new ATOM 0 HG11 VAL A 15 -0.855 -8.108 8.647 1.00 22.34 H new ATOM 0 HG12 VAL A 15 -2.329 -7.253 8.135 1.00 22.34 H new ATOM 0 HG13 VAL A 15 -1.441 -8.268 6.975 1.00 22.34 H new ATOM 0 HG21 VAL A 15 1.398 -7.328 7.897 1.00 65.32 H new ATOM 0 HG22 VAL A 15 0.957 -7.427 6.175 1.00 65.32 H new ATOM 0 HG23 VAL A 15 1.564 -5.897 6.852 1.00 65.32 H new ATOM 230 N VAL A 16 -3.503 -5.060 5.787 1.00 3.44 N ATOM 231 CA VAL A 16 -4.773 -4.316 5.928 1.00 11.21 C ATOM 232 C VAL A 16 -5.883 -5.200 6.518 1.00 51.53 C ATOM 233 O VAL A 16 -6.089 -6.324 6.054 1.00 51.14 O ATOM 234 CB VAL A 16 -5.251 -3.765 4.536 1.00 0.34 C ATOM 235 CG1 VAL A 16 -6.403 -2.754 4.685 1.00 41.14 C ATOM 236 CG2 VAL A 16 -4.079 -3.157 3.744 1.00 54.22 C ATOM 0 H VAL A 16 -3.478 -5.677 4.975 1.00 3.44 H new ATOM 0 HA VAL A 16 -4.582 -3.486 6.609 1.00 11.21 H new ATOM 0 HB VAL A 16 -5.635 -4.613 3.969 1.00 0.34 H new ATOM 0 HG11 VAL A 16 -6.704 -2.397 3.700 1.00 41.14 H new ATOM 0 HG12 VAL A 16 -7.251 -3.237 5.170 1.00 41.14 H new ATOM 0 HG13 VAL A 16 -6.071 -1.911 5.290 1.00 41.14 H new ATOM 0 HG21 VAL A 16 -4.442 -2.785 2.786 1.00 54.22 H new ATOM 0 HG22 VAL A 16 -3.644 -2.335 4.312 1.00 54.22 H new ATOM 0 HG23 VAL A 16 -3.320 -3.921 3.573 1.00 54.22 H new ATOM 246 N HIS A 17 -6.582 -4.686 7.557 1.00 22.50 N ATOM 247 CA HIS A 17 -7.802 -5.317 8.124 1.00 21.14 C ATOM 248 C HIS A 17 -8.852 -4.240 8.504 1.00 34.34 C ATOM 249 O HIS A 17 -9.457 -4.287 9.585 1.00 1.05 O ATOM 250 CB HIS A 17 -7.443 -6.210 9.339 1.00 43.23 C ATOM 251 CG HIS A 17 -6.622 -7.415 8.976 1.00 31.04 C ATOM 252 ND1 HIS A 17 -5.251 -7.444 9.062 1.00 22.34 N ATOM 253 CD2 HIS A 17 -6.988 -8.621 8.484 1.00 24.53 C ATOM 254 CE1 HIS A 17 -4.808 -8.604 8.638 1.00 1.22 C ATOM 255 NE2 HIS A 17 -5.840 -9.341 8.282 1.00 30.13 N ATOM 0 H HIS A 17 -6.317 -3.821 8.028 1.00 22.50 H new ATOM 0 HA HIS A 17 -8.245 -5.957 7.361 1.00 21.14 H new ATOM 0 HB2 HIS A 17 -6.895 -5.614 10.069 1.00 43.23 H new ATOM 0 HB3 HIS A 17 -8.363 -6.539 9.822 1.00 43.23 H new ATOM 0 HD2 HIS A 17 -7.996 -8.954 8.287 1.00 24.53 H new ATOM 0 HE1 HIS A 17 -3.772 -8.904 8.589 1.00 1.22 H new ATOM 0 HE2 HIS A 17 -5.792 -10.292 7.916 1.00 30.13 H new ATOM 264 N LEU A 18 -9.062 -3.277 7.584 1.00 52.41 N ATOM 265 CA LEU A 18 -10.177 -2.291 7.662 1.00 3.44 C ATOM 266 C LEU A 18 -11.598 -2.956 7.704 1.00 10.13 C ATOM 267 O LEU A 18 -11.736 -4.177 7.575 1.00 30.43 O ATOM 268 CB LEU A 18 -10.051 -1.255 6.489 1.00 1.32 C ATOM 269 CG LEU A 18 -9.740 -1.789 5.039 1.00 31.31 C ATOM 270 CD1 LEU A 18 -10.728 -2.852 4.531 1.00 43.34 C ATOM 271 CD2 LEU A 18 -9.624 -0.621 4.030 1.00 42.33 C ATOM 0 H LEU A 18 -8.468 -3.155 6.764 1.00 52.41 H new ATOM 0 HA LEU A 18 -10.082 -1.767 8.613 1.00 3.44 H new ATOM 0 HB2 LEU A 18 -10.984 -0.694 6.442 1.00 1.32 H new ATOM 0 HB3 LEU A 18 -9.267 -0.547 6.756 1.00 1.32 H new ATOM 0 HG LEU A 18 -8.778 -2.295 5.117 1.00 31.31 H new ATOM 0 HD11 LEU A 18 -10.441 -3.165 3.527 1.00 43.34 H new ATOM 0 HD12 LEU A 18 -10.710 -3.714 5.198 1.00 43.34 H new ATOM 0 HD13 LEU A 18 -11.734 -2.432 4.507 1.00 43.34 H new ATOM 0 HD21 LEU A 18 -9.409 -1.017 3.038 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -10.563 -0.068 4.004 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -8.818 0.046 4.337 1.00 42.33 H new ATOM 283 N SER A 19 -12.652 -2.125 7.816 1.00 54.43 N ATOM 284 CA SER A 19 -14.062 -2.594 7.978 1.00 33.03 C ATOM 285 C SER A 19 -14.765 -2.854 6.613 1.00 22.21 C ATOM 286 O SER A 19 -15.999 -2.836 6.534 1.00 23.45 O ATOM 287 CB SER A 19 -14.848 -1.545 8.812 1.00 73.05 C ATOM 288 OG SER A 19 -14.214 -1.303 10.063 1.00 13.13 O ATOM 0 H SER A 19 -12.561 -1.109 7.798 1.00 54.43 H new ATOM 0 HA SER A 19 -14.046 -3.551 8.500 1.00 33.03 H new ATOM 0 HB2 SER A 19 -14.922 -0.613 8.252 1.00 73.05 H new ATOM 0 HB3 SER A 19 -15.866 -1.898 8.979 1.00 73.05 H new ATOM 0 HG SER A 19 -14.728 -0.638 10.567 1.00 13.13 H new ATOM 294 N GLY A 20 -13.974 -3.134 5.554 1.00 20.31 N ATOM 295 CA GLY A 20 -14.505 -3.448 4.212 1.00 43.42 C ATOM 296 C GLY A 20 -14.201 -4.901 3.790 1.00 31.14 C ATOM 297 O GLY A 20 -13.147 -5.152 3.193 1.00 11.34 O ATOM 0 H GLY A 20 -12.955 -3.148 5.606 1.00 20.31 H new ATOM 0 HA2 GLY A 20 -15.583 -3.287 4.203 1.00 43.42 H new ATOM 0 HA3 GLY A 20 -14.074 -2.762 3.483 1.00 43.42 H new ATOM 301 N PRO A 21 -15.111 -5.891 4.084 1.00 54.31 N ATOM 302 CA PRO A 21 -14.864 -7.337 3.795 1.00 2.31 C ATOM 303 C PRO A 21 -14.886 -7.681 2.274 1.00 73.21 C ATOM 304 O PRO A 21 -15.842 -7.335 1.566 1.00 64.31 O ATOM 305 CB PRO A 21 -16.018 -8.043 4.558 1.00 55.02 C ATOM 306 CG PRO A 21 -17.124 -7.029 4.580 1.00 51.14 C ATOM 307 CD PRO A 21 -16.441 -5.685 4.724 1.00 10.31 C ATOM 0 HA PRO A 21 -13.869 -7.652 4.109 1.00 2.31 H new ATOM 0 HB2 PRO A 21 -16.327 -8.958 4.053 1.00 55.02 H new ATOM 0 HB3 PRO A 21 -15.715 -8.323 5.567 1.00 55.02 H new ATOM 0 HG2 PRO A 21 -17.714 -7.073 3.665 1.00 51.14 H new ATOM 0 HG3 PRO A 21 -17.807 -7.212 5.409 1.00 51.14 H new ATOM 0 HD2 PRO A 21 -17.005 -4.895 4.229 1.00 10.31 H new ATOM 0 HD3 PRO A 21 -16.341 -5.397 5.771 1.00 10.31 H new ATOM 315 N GLY A 22 -13.817 -8.357 1.796 1.00 34.43 N ATOM 316 CA GLY A 22 -13.733 -8.835 0.405 1.00 72.43 C ATOM 317 C GLY A 22 -13.683 -7.701 -0.624 1.00 65.34 C ATOM 318 O GLY A 22 -12.698 -6.965 -0.682 1.00 12.40 O ATOM 0 H GLY A 22 -12.998 -8.583 2.360 1.00 34.43 H new ATOM 0 HA2 GLY A 22 -12.844 -9.456 0.295 1.00 72.43 H new ATOM 0 HA3 GLY A 22 -14.593 -9.470 0.194 1.00 72.43 H new ATOM 322 N GLY A 23 -14.761 -7.559 -1.424 1.00 14.30 N ATOM 323 CA GLY A 23 -14.881 -6.490 -2.431 1.00 71.40 C ATOM 324 C GLY A 23 -14.865 -7.004 -3.890 1.00 45.44 C ATOM 325 O GLY A 23 -15.935 -7.171 -4.479 1.00 24.40 O ATOM 0 H GLY A 23 -15.568 -8.181 -1.388 1.00 14.30 H new ATOM 0 HA2 GLY A 23 -15.808 -5.943 -2.258 1.00 71.40 H new ATOM 0 HA3 GLY A 23 -14.063 -5.782 -2.296 1.00 71.40 H new ATOM 329 N PRO A 24 -13.671 -7.267 -4.534 1.00 14.33 N ATOM 330 CA PRO A 24 -12.321 -7.122 -3.917 1.00 53.33 C ATOM 331 C PRO A 24 -11.881 -5.639 -3.757 1.00 4.40 C ATOM 332 O PRO A 24 -12.277 -4.773 -4.544 1.00 21.21 O ATOM 333 CB PRO A 24 -11.408 -7.893 -4.902 1.00 1.41 C ATOM 334 CG PRO A 24 -12.078 -7.731 -6.232 1.00 54.32 C ATOM 335 CD PRO A 24 -13.570 -7.733 -5.945 1.00 13.31 C ATOM 0 HA PRO A 24 -12.286 -7.508 -2.898 1.00 53.33 H new ATOM 0 HB2 PRO A 24 -10.398 -7.483 -4.913 1.00 1.41 H new ATOM 0 HB3 PRO A 24 -11.322 -8.944 -4.625 1.00 1.41 H new ATOM 0 HG2 PRO A 24 -11.773 -6.802 -6.713 1.00 54.32 H new ATOM 0 HG3 PRO A 24 -11.808 -8.543 -6.908 1.00 54.32 H new ATOM 0 HD2 PRO A 24 -14.107 -7.070 -6.623 1.00 13.31 H new ATOM 0 HD3 PRO A 24 -13.998 -8.728 -6.067 1.00 13.31 H new ATOM 343 N VAL A 25 -11.096 -5.372 -2.702 1.00 25.12 N ATOM 344 CA VAL A 25 -10.557 -4.025 -2.402 1.00 4.12 C ATOM 345 C VAL A 25 -9.616 -3.519 -3.530 1.00 73.42 C ATOM 346 O VAL A 25 -8.780 -4.276 -4.043 1.00 72.14 O ATOM 347 CB VAL A 25 -9.798 -4.036 -1.024 1.00 13.13 C ATOM 348 CG1 VAL A 25 -9.156 -2.668 -0.691 1.00 34.21 C ATOM 349 CG2 VAL A 25 -10.738 -4.504 0.121 1.00 15.44 C ATOM 0 H VAL A 25 -10.813 -6.083 -2.027 1.00 25.12 H new ATOM 0 HA VAL A 25 -11.400 -3.337 -2.341 1.00 4.12 H new ATOM 0 HB VAL A 25 -8.981 -4.752 -1.117 1.00 13.13 H new ATOM 0 HG11 VAL A 25 -8.645 -2.730 0.270 1.00 34.21 H new ATOM 0 HG12 VAL A 25 -8.438 -2.404 -1.468 1.00 34.21 H new ATOM 0 HG13 VAL A 25 -9.932 -1.904 -0.640 1.00 34.21 H new ATOM 0 HG21 VAL A 25 -10.191 -4.504 1.064 1.00 15.44 H new ATOM 0 HG22 VAL A 25 -11.588 -3.826 0.194 1.00 15.44 H new ATOM 0 HG23 VAL A 25 -11.095 -5.512 -0.091 1.00 15.44 H new ATOM 359 N ARG A 26 -9.764 -2.235 -3.901 1.00 25.44 N ATOM 360 CA ARG A 26 -8.993 -1.611 -4.991 1.00 45.03 C ATOM 361 C ARG A 26 -7.800 -0.834 -4.406 1.00 54.51 C ATOM 362 O ARG A 26 -7.969 -0.022 -3.495 1.00 31.23 O ATOM 363 CB ARG A 26 -9.909 -0.651 -5.827 1.00 51.32 C ATOM 364 CG ARG A 26 -9.505 -0.486 -7.325 1.00 2.24 C ATOM 365 CD ARG A 26 -10.089 -1.591 -8.248 1.00 71.34 C ATOM 366 NE ARG A 26 -9.704 -2.968 -7.840 1.00 73.24 N ATOM 367 CZ ARG A 26 -10.498 -3.836 -7.239 1.00 74.10 C ATOM 368 NH1 ARG A 26 -11.726 -3.536 -6.955 1.00 51.15 N ATOM 369 NH2 ARG A 26 -10.049 -4.994 -6.911 1.00 11.11 N ATOM 0 H ARG A 26 -10.423 -1.599 -3.452 1.00 25.44 H new ATOM 0 HA ARG A 26 -8.619 -2.393 -5.652 1.00 45.03 H new ATOM 0 HB2 ARG A 26 -10.933 -1.021 -5.782 1.00 51.32 H new ATOM 0 HB3 ARG A 26 -9.904 0.332 -5.356 1.00 51.32 H new ATOM 0 HG2 ARG A 26 -9.842 0.488 -7.679 1.00 2.24 H new ATOM 0 HG3 ARG A 26 -8.418 -0.495 -7.403 1.00 2.24 H new ATOM 0 HD2 ARG A 26 -11.176 -1.512 -8.253 1.00 71.34 H new ATOM 0 HD3 ARG A 26 -9.752 -1.416 -9.270 1.00 71.34 H new ATOM 0 HE ARG A 26 -8.749 -3.267 -8.040 1.00 73.24 H new ATOM 0 HH11 ARG A 26 -12.095 -2.616 -7.196 1.00 51.15 H new ATOM 0 HH12 ARG A 26 -12.324 -4.220 -6.491 1.00 51.15 H new ATOM 0 HH21 ARG A 26 -9.081 -5.242 -7.115 1.00 11.11 H new ATOM 0 HH22 ARG A 26 -10.661 -5.665 -6.447 1.00 11.11 H new ATOM 383 N TRP A 27 -6.601 -1.095 -4.938 1.00 33.34 N ATOM 384 CA TRP A 27 -5.363 -0.417 -4.507 1.00 55.30 C ATOM 385 C TRP A 27 -5.014 0.745 -5.446 1.00 61.41 C ATOM 386 O TRP A 27 -5.108 0.612 -6.662 1.00 21.44 O ATOM 387 CB TRP A 27 -4.187 -1.428 -4.445 1.00 0.24 C ATOM 388 CG TRP A 27 -4.193 -2.269 -3.198 1.00 22.10 C ATOM 389 CD1 TRP A 27 -4.647 -3.548 -3.043 1.00 60.40 C ATOM 390 CD2 TRP A 27 -3.727 -1.848 -1.914 1.00 14.15 C ATOM 391 NE1 TRP A 27 -4.456 -3.958 -1.748 1.00 65.41 N ATOM 392 CE2 TRP A 27 -3.899 -2.926 -1.035 1.00 3.14 C ATOM 393 CE3 TRP A 27 -3.165 -0.656 -1.435 1.00 42.21 C ATOM 394 CZ2 TRP A 27 -3.531 -2.851 0.300 1.00 51.11 C ATOM 395 CZ3 TRP A 27 -2.805 -0.582 -0.109 1.00 53.43 C ATOM 396 CH2 TRP A 27 -2.991 -1.671 0.747 1.00 15.31 C ATOM 0 H TRP A 27 -6.456 -1.781 -5.679 1.00 33.34 H new ATOM 0 HA TRP A 27 -5.532 -0.009 -3.510 1.00 55.30 H new ATOM 0 HB2 TRP A 27 -4.232 -2.081 -5.316 1.00 0.24 H new ATOM 0 HB3 TRP A 27 -3.245 -0.883 -4.503 1.00 0.24 H new ATOM 0 HD1 TRP A 27 -5.091 -4.147 -3.824 1.00 60.40 H new ATOM 0 HE1 TRP A 27 -4.690 -4.879 -1.376 1.00 65.41 H new ATOM 0 HE3 TRP A 27 -3.018 0.187 -2.094 1.00 42.21 H new ATOM 0 HZ2 TRP A 27 -3.665 -3.692 0.965 1.00 51.11 H new ATOM 0 HZ3 TRP A 27 -2.373 0.330 0.276 1.00 53.43 H new ATOM 0 HH2 TRP A 27 -2.703 -1.582 1.784 1.00 15.31 H new ATOM 407 N TYR A 28 -4.619 1.883 -4.852 1.00 54.53 N ATOM 408 CA TYR A 28 -4.178 3.091 -5.586 1.00 64.54 C ATOM 409 C TYR A 28 -2.867 3.647 -4.978 1.00 41.34 C ATOM 410 O TYR A 28 -2.616 3.513 -3.783 1.00 64.11 O ATOM 411 CB TYR A 28 -5.269 4.204 -5.542 1.00 4.10 C ATOM 412 CG TYR A 28 -6.643 3.820 -6.134 1.00 64.44 C ATOM 413 CD1 TYR A 28 -6.918 3.971 -7.496 1.00 74.20 C ATOM 414 CD2 TYR A 28 -7.672 3.326 -5.324 1.00 2.54 C ATOM 415 CE1 TYR A 28 -8.154 3.645 -8.022 1.00 44.33 C ATOM 416 CE2 TYR A 28 -8.904 2.997 -5.853 1.00 71.03 C ATOM 417 CZ TYR A 28 -9.141 3.161 -7.198 1.00 31.05 C ATOM 418 OH TYR A 28 -10.376 2.839 -7.721 1.00 13.15 O ATOM 0 H TYR A 28 -4.595 1.996 -3.839 1.00 54.53 H new ATOM 0 HA TYR A 28 -4.007 2.800 -6.623 1.00 64.54 H new ATOM 0 HB2 TYR A 28 -5.413 4.505 -4.504 1.00 4.10 H new ATOM 0 HB3 TYR A 28 -4.894 5.076 -6.078 1.00 4.10 H new ATOM 0 HD1 TYR A 28 -6.148 4.351 -8.152 1.00 74.20 H new ATOM 0 HD2 TYR A 28 -7.499 3.200 -4.265 1.00 2.54 H new ATOM 0 HE1 TYR A 28 -8.343 3.770 -9.078 1.00 44.33 H new ATOM 0 HE2 TYR A 28 -9.682 2.611 -5.211 1.00 71.03 H new ATOM 0 HH TYR A 28 -10.959 2.510 -7.005 1.00 13.15 H new ATOM 428 N LYS A 29 -2.031 4.242 -5.831 1.00 24.51 N ATOM 429 CA LYS A 29 -0.895 5.104 -5.427 1.00 13.23 C ATOM 430 C LYS A 29 -0.866 6.351 -6.333 1.00 60.22 C ATOM 431 O LYS A 29 -0.981 6.226 -7.559 1.00 71.43 O ATOM 432 CB LYS A 29 0.447 4.333 -5.501 1.00 23.43 C ATOM 433 CG LYS A 29 1.720 5.197 -5.301 1.00 2.41 C ATOM 434 CD LYS A 29 1.808 5.851 -3.896 1.00 63.35 C ATOM 435 CE LYS A 29 3.184 6.491 -3.618 1.00 72.50 C ATOM 436 NZ LYS A 29 3.535 7.550 -4.595 1.00 44.20 N ATOM 0 H LYS A 29 -2.118 4.143 -6.842 1.00 24.51 H new ATOM 0 HA LYS A 29 -1.030 5.413 -4.390 1.00 13.23 H new ATOM 0 HB2 LYS A 29 0.438 3.548 -4.745 1.00 23.43 H new ATOM 0 HB3 LYS A 29 0.511 3.840 -6.471 1.00 23.43 H new ATOM 0 HG2 LYS A 29 2.601 4.575 -5.460 1.00 2.41 H new ATOM 0 HG3 LYS A 29 1.742 5.979 -6.060 1.00 2.41 H new ATOM 0 HD2 LYS A 29 1.034 6.613 -3.806 1.00 63.35 H new ATOM 0 HD3 LYS A 29 1.603 5.097 -3.136 1.00 63.35 H new ATOM 0 HE2 LYS A 29 3.186 6.915 -2.614 1.00 72.50 H new ATOM 0 HE3 LYS A 29 3.950 5.716 -3.638 1.00 72.50 H new ATOM 0 HZ1 LYS A 29 4.534 7.813 -4.478 1.00 44.20 H new ATOM 0 HZ2 LYS A 29 3.381 7.196 -5.561 1.00 44.20 H new ATOM 0 HZ3 LYS A 29 2.936 8.384 -4.433 1.00 44.20 H new ATOM 450 N ASP A 30 -0.709 7.542 -5.709 1.00 60.54 N ATOM 451 CA ASP A 30 -0.738 8.860 -6.401 1.00 3.33 C ATOM 452 C ASP A 30 -2.132 9.170 -7.021 1.00 55.12 C ATOM 453 O ASP A 30 -2.262 10.071 -7.858 1.00 62.44 O ATOM 454 CB ASP A 30 0.383 8.966 -7.484 1.00 63.33 C ATOM 455 CG ASP A 30 1.799 8.820 -6.922 1.00 23.42 C ATOM 456 OD1 ASP A 30 2.231 9.695 -6.137 1.00 30.21 O ATOM 457 OD2 ASP A 30 2.483 7.825 -7.233 1.00 11.25 O ATOM 0 H ASP A 30 -0.557 7.620 -4.703 1.00 60.54 H new ATOM 0 HA ASP A 30 -0.545 9.613 -5.637 1.00 3.33 H new ATOM 0 HB2 ASP A 30 0.220 8.197 -8.239 1.00 63.33 H new ATOM 0 HB3 ASP A 30 0.299 9.929 -7.987 1.00 63.33 H new ATOM 462 N GLY A 31 -3.177 8.446 -6.562 1.00 71.30 N ATOM 463 CA GLY A 31 -4.532 8.549 -7.134 1.00 44.52 C ATOM 464 C GLY A 31 -4.761 7.638 -8.355 1.00 40.42 C ATOM 465 O GLY A 31 -5.845 7.658 -8.950 1.00 33.31 O ATOM 0 H GLY A 31 -3.104 7.781 -5.792 1.00 71.30 H new ATOM 0 HA2 GLY A 31 -5.262 8.299 -6.364 1.00 44.52 H new ATOM 0 HA3 GLY A 31 -4.716 9.583 -7.424 1.00 44.52 H new ATOM 469 N GLU A 32 -3.741 6.837 -8.731 1.00 22.55 N ATOM 470 CA GLU A 32 -3.826 5.883 -9.862 1.00 31.54 C ATOM 471 C GLU A 32 -3.658 4.449 -9.345 1.00 71.41 C ATOM 472 O GLU A 32 -2.756 4.185 -8.566 1.00 4.24 O ATOM 473 CB GLU A 32 -2.746 6.187 -10.935 1.00 53.43 C ATOM 474 CG GLU A 32 -2.777 5.228 -12.147 1.00 12.11 C ATOM 475 CD GLU A 32 -1.744 5.576 -13.229 1.00 30.43 C ATOM 476 OE1 GLU A 32 -2.063 6.386 -14.128 1.00 32.23 O ATOM 477 OE2 GLU A 32 -0.608 5.058 -13.179 1.00 13.12 O ATOM 0 H GLU A 32 -2.836 6.832 -8.261 1.00 22.55 H new ATOM 0 HA GLU A 32 -4.806 5.992 -10.327 1.00 31.54 H new ATOM 0 HB2 GLU A 32 -2.879 7.209 -11.290 1.00 53.43 H new ATOM 0 HB3 GLU A 32 -1.762 6.136 -10.470 1.00 53.43 H new ATOM 0 HG2 GLU A 32 -2.599 4.210 -11.800 1.00 12.11 H new ATOM 0 HG3 GLU A 32 -3.774 5.245 -12.588 1.00 12.11 H new ATOM 484 N ARG A 33 -4.507 3.528 -9.815 1.00 35.53 N ATOM 485 CA ARG A 33 -4.529 2.122 -9.352 1.00 23.45 C ATOM 486 C ARG A 33 -3.168 1.391 -9.542 1.00 14.44 C ATOM 487 O ARG A 33 -2.378 1.742 -10.430 1.00 63.55 O ATOM 488 CB ARG A 33 -5.666 1.329 -10.068 1.00 12.43 C ATOM 489 CG ARG A 33 -5.365 0.908 -11.532 1.00 12.53 C ATOM 490 CD ARG A 33 -5.321 2.086 -12.527 1.00 22.15 C ATOM 491 NE ARG A 33 -4.769 1.686 -13.834 1.00 41.05 N ATOM 492 CZ ARG A 33 -4.409 2.507 -14.799 1.00 52.52 C ATOM 493 NH1 ARG A 33 -4.571 3.792 -14.695 1.00 21.30 N ATOM 494 NH2 ARG A 33 -3.883 2.034 -15.874 1.00 52.13 N ATOM 0 H ARG A 33 -5.205 3.731 -10.531 1.00 35.53 H new ATOM 0 HA ARG A 33 -4.722 2.156 -8.280 1.00 23.45 H new ATOM 0 HB2 ARG A 33 -5.882 0.432 -9.487 1.00 12.43 H new ATOM 0 HB3 ARG A 33 -6.570 1.938 -10.062 1.00 12.43 H new ATOM 0 HG2 ARG A 33 -4.408 0.386 -11.560 1.00 12.53 H new ATOM 0 HG3 ARG A 33 -6.125 0.198 -11.859 1.00 12.53 H new ATOM 0 HD2 ARG A 33 -6.327 2.482 -12.664 1.00 22.15 H new ATOM 0 HD3 ARG A 33 -4.716 2.891 -12.109 1.00 22.15 H new ATOM 0 HE ARG A 33 -4.656 0.687 -14.006 1.00 41.05 H new ATOM 0 HH11 ARG A 33 -4.986 4.187 -13.851 1.00 21.30 H new ATOM 0 HH12 ARG A 33 -4.283 4.406 -15.457 1.00 21.30 H new ATOM 0 HH21 ARG A 33 -3.747 1.028 -15.975 1.00 52.13 H new ATOM 0 HH22 ARG A 33 -3.602 2.665 -16.625 1.00 52.13 H new ATOM 508 N LEU A 34 -2.891 0.393 -8.684 1.00 64.34 N ATOM 509 CA LEU A 34 -1.732 -0.516 -8.853 1.00 32.21 C ATOM 510 C LEU A 34 -2.156 -1.844 -9.516 1.00 45.11 C ATOM 511 O LEU A 34 -3.343 -2.184 -9.573 1.00 55.10 O ATOM 512 CB LEU A 34 -1.019 -0.812 -7.499 1.00 50.22 C ATOM 513 CG LEU A 34 -0.341 0.398 -6.775 1.00 34.43 C ATOM 514 CD1 LEU A 34 0.577 -0.080 -5.639 1.00 24.32 C ATOM 515 CD2 LEU A 34 0.427 1.304 -7.766 1.00 34.10 C ATOM 0 H LEU A 34 -3.456 0.191 -7.859 1.00 64.34 H new ATOM 0 HA LEU A 34 -1.026 -0.001 -9.505 1.00 32.21 H new ATOM 0 HB2 LEU A 34 -1.751 -1.247 -6.819 1.00 50.22 H new ATOM 0 HB3 LEU A 34 -0.257 -1.571 -7.676 1.00 50.22 H new ATOM 0 HG LEU A 34 -1.137 0.999 -6.336 1.00 34.43 H new ATOM 0 HD11 LEU A 34 1.035 0.782 -5.154 1.00 24.32 H new ATOM 0 HD12 LEU A 34 -0.008 -0.639 -4.909 1.00 24.32 H new ATOM 0 HD13 LEU A 34 1.357 -0.723 -6.047 1.00 24.32 H new ATOM 0 HD21 LEU A 34 0.883 2.132 -7.223 1.00 34.10 H new ATOM 0 HD22 LEU A 34 1.205 0.723 -8.262 1.00 34.10 H new ATOM 0 HD23 LEU A 34 -0.265 1.696 -8.512 1.00 34.10 H new ATOM 527 N ALA A 35 -1.155 -2.580 -10.020 1.00 4.31 N ATOM 528 CA ALA A 35 -1.326 -3.928 -10.591 1.00 31.10 C ATOM 529 C ALA A 35 -0.198 -4.849 -10.095 1.00 64.32 C ATOM 530 O ALA A 35 0.899 -4.379 -9.782 1.00 42.41 O ATOM 531 CB ALA A 35 -1.337 -3.858 -12.124 1.00 1.21 C ATOM 0 H ALA A 35 -0.189 -2.253 -10.044 1.00 4.31 H new ATOM 0 HA ALA A 35 -2.281 -4.338 -10.263 1.00 31.10 H new ATOM 0 HB1 ALA A 35 -1.464 -4.860 -12.533 1.00 1.21 H new ATOM 0 HB2 ALA A 35 -2.161 -3.225 -12.453 1.00 1.21 H new ATOM 0 HB3 ALA A 35 -0.394 -3.439 -12.476 1.00 1.21 H new ATOM 537 N SER A 36 -0.477 -6.151 -10.014 1.00 34.32 N ATOM 538 CA SER A 36 0.510 -7.154 -9.578 1.00 73.04 C ATOM 539 C SER A 36 1.480 -7.506 -10.734 1.00 61.14 C ATOM 540 O SER A 36 1.130 -8.273 -11.637 1.00 43.42 O ATOM 541 CB SER A 36 -0.223 -8.415 -9.060 1.00 71.22 C ATOM 542 OG SER A 36 -1.060 -8.981 -10.062 1.00 70.11 O ATOM 0 H SER A 36 -1.389 -6.544 -10.247 1.00 34.32 H new ATOM 0 HA SER A 36 1.105 -6.739 -8.765 1.00 73.04 H new ATOM 0 HB2 SER A 36 0.509 -9.155 -8.735 1.00 71.22 H new ATOM 0 HB3 SER A 36 -0.823 -8.156 -8.187 1.00 71.22 H new ATOM 0 HG SER A 36 -0.615 -8.919 -10.933 1.00 70.11 H new ATOM 548 N GLN A 37 2.681 -6.891 -10.745 1.00 50.43 N ATOM 549 CA GLN A 37 3.754 -7.260 -11.721 1.00 22.25 C ATOM 550 C GLN A 37 4.842 -8.133 -11.044 1.00 13.54 C ATOM 551 O GLN A 37 4.851 -9.362 -11.195 1.00 31.50 O ATOM 552 CB GLN A 37 4.380 -6.003 -12.416 1.00 54.05 C ATOM 553 CG GLN A 37 3.605 -5.465 -13.648 1.00 31.33 C ATOM 554 CD GLN A 37 2.271 -4.791 -13.328 1.00 32.24 C ATOM 555 OE1 GLN A 37 2.107 -4.169 -12.290 1.00 54.12 O ATOM 556 NE2 GLN A 37 1.311 -4.906 -14.224 1.00 42.02 N ATOM 0 H GLN A 37 2.940 -6.144 -10.101 1.00 50.43 H new ATOM 0 HA GLN A 37 3.286 -7.852 -12.507 1.00 22.25 H new ATOM 0 HB2 GLN A 37 4.457 -5.203 -11.680 1.00 54.05 H new ATOM 0 HB3 GLN A 37 5.395 -6.249 -12.727 1.00 54.05 H new ATOM 0 HG2 GLN A 37 4.239 -4.751 -14.174 1.00 31.33 H new ATOM 0 HG3 GLN A 37 3.422 -6.293 -14.333 1.00 31.33 H new ATOM 0 HE21 GLN A 37 1.475 -5.431 -15.083 1.00 42.02 H new ATOM 0 HE22 GLN A 37 0.404 -4.470 -14.059 1.00 42.02 H new ATOM 565 N GLY A 38 5.742 -7.487 -10.284 1.00 33.53 N ATOM 566 CA GLY A 38 6.863 -8.176 -9.624 1.00 12.53 C ATOM 567 C GLY A 38 7.270 -7.475 -8.336 1.00 72.40 C ATOM 568 O GLY A 38 7.220 -8.066 -7.250 1.00 61.11 O ATOM 0 H GLY A 38 5.714 -6.482 -10.111 1.00 33.53 H new ATOM 0 HA2 GLY A 38 6.580 -9.206 -9.405 1.00 12.53 H new ATOM 0 HA3 GLY A 38 7.716 -8.217 -10.302 1.00 12.53 H new ATOM 572 N ARG A 39 7.668 -6.195 -8.466 1.00 42.44 N ATOM 573 CA ARG A 39 7.991 -5.326 -7.315 1.00 4.34 C ATOM 574 C ARG A 39 6.710 -4.972 -6.532 1.00 0.12 C ATOM 575 O ARG A 39 6.694 -5.001 -5.306 1.00 21.44 O ATOM 576 CB ARG A 39 8.712 -4.036 -7.789 1.00 1.25 C ATOM 577 CG ARG A 39 9.205 -3.132 -6.643 1.00 44.45 C ATOM 578 CD ARG A 39 9.895 -1.854 -7.143 1.00 21.43 C ATOM 579 NE ARG A 39 10.502 -1.115 -6.026 1.00 71.54 N ATOM 580 CZ ARG A 39 10.273 0.132 -5.706 1.00 60.02 C ATOM 581 NH1 ARG A 39 9.510 0.898 -6.423 1.00 13.32 N ATOM 582 NH2 ARG A 39 10.830 0.615 -4.660 1.00 1.04 N ATOM 0 H ARG A 39 7.775 -5.734 -9.369 1.00 42.44 H new ATOM 0 HA ARG A 39 8.663 -5.870 -6.652 1.00 4.34 H new ATOM 0 HB2 ARG A 39 9.564 -4.316 -8.408 1.00 1.25 H new ATOM 0 HB3 ARG A 39 8.032 -3.465 -8.421 1.00 1.25 H new ATOM 0 HG2 ARG A 39 8.359 -2.859 -6.013 1.00 44.45 H new ATOM 0 HG3 ARG A 39 9.900 -3.693 -6.018 1.00 44.45 H new ATOM 0 HD2 ARG A 39 10.662 -2.112 -7.873 1.00 21.43 H new ATOM 0 HD3 ARG A 39 9.170 -1.220 -7.653 1.00 21.43 H new ATOM 0 HE ARG A 39 11.167 -1.625 -5.444 1.00 71.54 H new ATOM 0 HH11 ARG A 39 9.067 0.532 -7.266 1.00 13.32 H new ATOM 0 HH12 ARG A 39 9.353 1.866 -6.144 1.00 13.32 H new ATOM 0 HH21 ARG A 39 11.441 0.029 -4.091 1.00 1.04 H new ATOM 0 HH22 ARG A 39 10.663 1.586 -4.395 1.00 1.04 H new ATOM 596 N VAL A 40 5.645 -4.624 -7.274 1.00 33.10 N ATOM 597 CA VAL A 40 4.304 -4.406 -6.708 1.00 2.21 C ATOM 598 C VAL A 40 3.587 -5.769 -6.542 1.00 20.32 C ATOM 599 O VAL A 40 3.087 -6.349 -7.517 1.00 23.43 O ATOM 600 CB VAL A 40 3.450 -3.436 -7.610 1.00 32.01 C ATOM 601 CG1 VAL A 40 2.036 -3.214 -7.024 1.00 70.25 C ATOM 602 CG2 VAL A 40 4.183 -2.087 -7.818 1.00 53.11 C ATOM 0 H VAL A 40 5.690 -4.486 -8.284 1.00 33.10 H new ATOM 0 HA VAL A 40 4.411 -3.932 -5.732 1.00 2.21 H new ATOM 0 HB VAL A 40 3.330 -3.911 -8.584 1.00 32.01 H new ATOM 0 HG11 VAL A 40 1.475 -2.540 -7.672 1.00 70.25 H new ATOM 0 HG12 VAL A 40 1.516 -4.169 -6.957 1.00 70.25 H new ATOM 0 HG13 VAL A 40 2.119 -2.776 -6.029 1.00 70.25 H new ATOM 0 HG21 VAL A 40 3.574 -1.435 -8.444 1.00 53.11 H new ATOM 0 HG22 VAL A 40 4.350 -1.611 -6.852 1.00 53.11 H new ATOM 0 HG23 VAL A 40 5.142 -2.265 -8.305 1.00 53.11 H new ATOM 612 N GLN A 41 3.610 -6.299 -5.312 1.00 21.22 N ATOM 613 CA GLN A 41 2.957 -7.573 -4.962 1.00 50.53 C ATOM 614 C GLN A 41 1.550 -7.308 -4.382 1.00 53.41 C ATOM 615 O GLN A 41 1.425 -6.768 -3.282 1.00 4.25 O ATOM 616 CB GLN A 41 3.816 -8.354 -3.928 1.00 62.01 C ATOM 617 CG GLN A 41 5.274 -8.604 -4.350 1.00 71.32 C ATOM 618 CD GLN A 41 6.039 -9.492 -3.360 1.00 61.34 C ATOM 619 OE1 GLN A 41 6.661 -9.014 -2.416 1.00 74.31 O ATOM 620 NE2 GLN A 41 5.997 -10.794 -3.568 1.00 12.01 N ATOM 0 H GLN A 41 4.084 -5.855 -4.525 1.00 21.22 H new ATOM 0 HA GLN A 41 2.862 -8.174 -5.866 1.00 50.53 H new ATOM 0 HB2 GLN A 41 3.815 -7.803 -2.988 1.00 62.01 H new ATOM 0 HB3 GLN A 41 3.340 -9.315 -3.735 1.00 62.01 H new ATOM 0 HG2 GLN A 41 5.287 -9.072 -5.334 1.00 71.32 H new ATOM 0 HG3 GLN A 41 5.788 -7.648 -4.445 1.00 71.32 H new ATOM 0 HE21 GLN A 41 5.473 -11.167 -4.360 1.00 12.01 H new ATOM 0 HE22 GLN A 41 6.488 -11.427 -2.937 1.00 12.01 H new ATOM 629 N LEU A 42 0.495 -7.674 -5.128 1.00 63.23 N ATOM 630 CA LEU A 42 -0.907 -7.518 -4.672 1.00 40.41 C ATOM 631 C LEU A 42 -1.526 -8.884 -4.287 1.00 4.10 C ATOM 632 O LEU A 42 -1.734 -9.747 -5.140 1.00 4.24 O ATOM 633 CB LEU A 42 -1.760 -6.802 -5.753 1.00 53.41 C ATOM 634 CG LEU A 42 -1.454 -5.287 -5.964 1.00 60.33 C ATOM 635 CD1 LEU A 42 -2.375 -4.665 -7.030 1.00 4.50 C ATOM 636 CD2 LEU A 42 -1.562 -4.514 -4.634 1.00 62.31 C ATOM 0 H LEU A 42 0.582 -8.084 -6.058 1.00 63.23 H new ATOM 0 HA LEU A 42 -0.903 -6.895 -3.778 1.00 40.41 H new ATOM 0 HB2 LEU A 42 -1.617 -7.318 -6.702 1.00 53.41 H new ATOM 0 HB3 LEU A 42 -2.812 -6.908 -5.488 1.00 53.41 H new ATOM 0 HG LEU A 42 -0.429 -5.209 -6.326 1.00 60.33 H new ATOM 0 HD11 LEU A 42 -2.132 -3.609 -7.149 1.00 4.50 H new ATOM 0 HD12 LEU A 42 -2.232 -5.180 -7.980 1.00 4.50 H new ATOM 0 HD13 LEU A 42 -3.414 -4.765 -6.716 1.00 4.50 H new ATOM 0 HD21 LEU A 42 -1.344 -3.460 -4.807 1.00 62.31 H new ATOM 0 HD22 LEU A 42 -2.571 -4.615 -4.235 1.00 62.31 H new ATOM 0 HD23 LEU A 42 -0.847 -4.919 -3.918 1.00 62.31 H new ATOM 648 N GLU A 43 -1.789 -9.054 -2.982 1.00 33.42 N ATOM 649 CA GLU A 43 -2.470 -10.235 -2.408 1.00 22.22 C ATOM 650 C GLU A 43 -3.986 -9.955 -2.259 1.00 60.21 C ATOM 651 O GLU A 43 -4.399 -9.176 -1.386 1.00 61.00 O ATOM 652 CB GLU A 43 -1.833 -10.565 -1.024 1.00 4.04 C ATOM 653 CG GLU A 43 -2.463 -11.748 -0.253 1.00 64.34 C ATOM 654 CD GLU A 43 -2.237 -13.112 -0.924 1.00 44.52 C ATOM 655 OE1 GLU A 43 -1.128 -13.675 -0.782 1.00 33.10 O ATOM 656 OE2 GLU A 43 -3.159 -13.630 -1.596 1.00 60.30 O ATOM 0 H GLU A 43 -1.531 -8.362 -2.278 1.00 33.42 H new ATOM 0 HA GLU A 43 -2.348 -11.090 -3.072 1.00 22.22 H new ATOM 0 HB2 GLU A 43 -0.775 -10.778 -1.175 1.00 4.04 H new ATOM 0 HB3 GLU A 43 -1.893 -9.675 -0.397 1.00 4.04 H new ATOM 0 HG2 GLU A 43 -2.049 -11.775 0.755 1.00 64.34 H new ATOM 0 HG3 GLU A 43 -3.535 -11.575 -0.152 1.00 64.34 H new ATOM 663 N GLN A 44 -4.803 -10.567 -3.136 1.00 2.20 N ATOM 664 CA GLN A 44 -6.274 -10.411 -3.109 1.00 22.21 C ATOM 665 C GLN A 44 -6.905 -11.517 -2.233 1.00 54.54 C ATOM 666 O GLN A 44 -7.000 -12.674 -2.658 1.00 3.33 O ATOM 667 CB GLN A 44 -6.882 -10.479 -4.549 1.00 32.45 C ATOM 668 CG GLN A 44 -6.312 -9.482 -5.587 1.00 4.20 C ATOM 669 CD GLN A 44 -4.924 -9.849 -6.118 1.00 35.40 C ATOM 670 OE1 GLN A 44 -4.546 -11.015 -6.170 1.00 31.40 O ATOM 671 NE2 GLN A 44 -4.160 -8.867 -6.537 1.00 25.35 N ATOM 0 H GLN A 44 -4.468 -11.180 -3.879 1.00 2.20 H new ATOM 0 HA GLN A 44 -6.498 -9.431 -2.687 1.00 22.21 H new ATOM 0 HB2 GLN A 44 -6.739 -11.489 -4.932 1.00 32.45 H new ATOM 0 HB3 GLN A 44 -7.957 -10.316 -4.474 1.00 32.45 H new ATOM 0 HG2 GLN A 44 -7.003 -9.415 -6.427 1.00 4.20 H new ATOM 0 HG3 GLN A 44 -6.265 -8.492 -5.134 1.00 4.20 H new ATOM 0 HE21 GLN A 44 -4.493 -7.904 -6.485 1.00 25.35 H new ATOM 0 HE22 GLN A 44 -3.234 -9.067 -6.914 1.00 25.35 H new ATOM 680 N ALA A 45 -7.320 -11.156 -1.012 1.00 53.12 N ATOM 681 CA ALA A 45 -8.015 -12.080 -0.078 1.00 62.11 C ATOM 682 C ALA A 45 -9.369 -11.480 0.375 1.00 73.51 C ATOM 683 O ALA A 45 -9.898 -10.569 -0.274 1.00 30.31 O ATOM 684 CB ALA A 45 -7.091 -12.387 1.118 1.00 1.23 C ATOM 0 H ALA A 45 -7.188 -10.218 -0.635 1.00 53.12 H new ATOM 0 HA ALA A 45 -8.238 -13.018 -0.587 1.00 62.11 H new ATOM 0 HB1 ALA A 45 -7.598 -13.065 1.805 1.00 1.23 H new ATOM 0 HB2 ALA A 45 -6.174 -12.854 0.759 1.00 1.23 H new ATOM 0 HB3 ALA A 45 -6.847 -11.460 1.637 1.00 1.23 H new ATOM 690 N GLY A 46 -9.955 -12.033 1.462 1.00 24.15 N ATOM 691 CA GLY A 46 -11.162 -11.452 2.075 1.00 24.42 C ATOM 692 C GLY A 46 -10.869 -10.151 2.836 1.00 31.11 C ATOM 693 O GLY A 46 -10.927 -9.057 2.261 1.00 34.52 O ATOM 0 H GLY A 46 -9.612 -12.874 1.926 1.00 24.15 H new ATOM 0 HA2 GLY A 46 -11.901 -11.256 1.298 1.00 24.42 H new ATOM 0 HA3 GLY A 46 -11.603 -12.177 2.759 1.00 24.42 H new ATOM 697 N ALA A 47 -10.536 -10.273 4.129 1.00 70.45 N ATOM 698 CA ALA A 47 -10.206 -9.119 4.998 1.00 64.25 C ATOM 699 C ALA A 47 -8.707 -8.726 4.903 1.00 34.15 C ATOM 700 O ALA A 47 -8.353 -7.565 5.125 1.00 43.11 O ATOM 701 CB ALA A 47 -10.591 -9.438 6.455 1.00 35.31 C ATOM 0 H ALA A 47 -10.486 -11.172 4.608 1.00 70.45 H new ATOM 0 HA ALA A 47 -10.782 -8.262 4.649 1.00 64.25 H new ATOM 0 HB1 ALA A 47 -10.347 -8.587 7.091 1.00 35.31 H new ATOM 0 HB2 ALA A 47 -11.661 -9.639 6.513 1.00 35.31 H new ATOM 0 HB3 ALA A 47 -10.038 -10.314 6.794 1.00 35.31 H new ATOM 707 N ARG A 48 -7.835 -9.707 4.577 1.00 32.21 N ATOM 708 CA ARG A 48 -6.359 -9.513 4.547 1.00 31.05 C ATOM 709 C ARG A 48 -5.871 -9.050 3.151 1.00 41.24 C ATOM 710 O ARG A 48 -5.536 -9.871 2.288 1.00 33.45 O ATOM 711 CB ARG A 48 -5.641 -10.831 4.974 1.00 11.14 C ATOM 712 CG ARG A 48 -4.100 -10.740 5.105 1.00 54.30 C ATOM 713 CD ARG A 48 -3.458 -12.094 5.487 1.00 23.53 C ATOM 714 NE ARG A 48 -3.664 -13.142 4.463 1.00 54.31 N ATOM 715 CZ ARG A 48 -3.429 -14.432 4.629 1.00 34.54 C ATOM 716 NH1 ARG A 48 -3.059 -14.916 5.776 1.00 33.12 N ATOM 717 NH2 ARG A 48 -3.584 -15.242 3.641 1.00 60.41 N ATOM 0 H ARG A 48 -8.128 -10.652 4.328 1.00 32.21 H new ATOM 0 HA ARG A 48 -6.107 -8.724 5.255 1.00 31.05 H new ATOM 0 HB2 ARG A 48 -6.051 -11.154 5.931 1.00 11.14 H new ATOM 0 HB3 ARG A 48 -5.881 -11.607 4.247 1.00 11.14 H new ATOM 0 HG2 ARG A 48 -3.678 -10.395 4.161 1.00 54.30 H new ATOM 0 HG3 ARG A 48 -3.846 -9.995 5.859 1.00 54.30 H new ATOM 0 HD2 ARG A 48 -2.389 -11.951 5.643 1.00 23.53 H new ATOM 0 HD3 ARG A 48 -3.876 -12.433 6.435 1.00 23.53 H new ATOM 0 HE ARG A 48 -4.017 -12.844 3.553 1.00 54.31 H new ATOM 0 HH11 ARG A 48 -2.943 -14.296 6.578 1.00 33.12 H new ATOM 0 HH12 ARG A 48 -2.885 -15.916 5.875 1.00 33.12 H new ATOM 0 HH21 ARG A 48 -3.887 -14.888 2.734 1.00 60.41 H new ATOM 0 HH22 ARG A 48 -3.404 -16.238 3.765 1.00 60.41 H new ATOM 731 N GLN A 49 -5.864 -7.728 2.922 1.00 11.25 N ATOM 732 CA GLN A 49 -5.282 -7.137 1.696 1.00 5.10 C ATOM 733 C GLN A 49 -3.806 -6.784 1.948 1.00 72.11 C ATOM 734 O GLN A 49 -3.489 -6.164 2.961 1.00 60.11 O ATOM 735 CB GLN A 49 -6.080 -5.880 1.266 1.00 14.20 C ATOM 736 CG GLN A 49 -7.591 -6.127 1.084 1.00 72.22 C ATOM 737 CD GLN A 49 -7.946 -7.204 0.042 1.00 74.51 C ATOM 738 OE1 GLN A 49 -7.236 -7.416 -0.941 1.00 74.42 O ATOM 739 NE2 GLN A 49 -9.062 -7.881 0.241 1.00 53.10 N ATOM 0 H GLN A 49 -6.255 -7.042 3.568 1.00 11.25 H new ATOM 0 HA GLN A 49 -5.340 -7.864 0.886 1.00 5.10 H new ATOM 0 HB2 GLN A 49 -5.938 -5.099 2.013 1.00 14.20 H new ATOM 0 HB3 GLN A 49 -5.669 -5.504 0.329 1.00 14.20 H new ATOM 0 HG2 GLN A 49 -8.016 -6.416 2.045 1.00 72.22 H new ATOM 0 HG3 GLN A 49 -8.066 -5.190 0.794 1.00 72.22 H new ATOM 0 HE21 GLN A 49 -9.635 -7.689 1.062 1.00 53.10 H new ATOM 0 HE22 GLN A 49 -9.351 -8.596 -0.427 1.00 53.10 H new ATOM 748 N VAL A 50 -2.892 -7.223 1.059 1.00 12.11 N ATOM 749 CA VAL A 50 -1.437 -6.988 1.245 1.00 52.13 C ATOM 750 C VAL A 50 -0.786 -6.401 -0.034 1.00 45.01 C ATOM 751 O VAL A 50 -0.685 -7.076 -1.055 1.00 21.43 O ATOM 752 CB VAL A 50 -0.680 -8.308 1.675 1.00 33.34 C ATOM 753 CG1 VAL A 50 0.802 -8.025 2.008 1.00 54.44 C ATOM 754 CG2 VAL A 50 -1.382 -9.018 2.859 1.00 10.23 C ATOM 0 H VAL A 50 -3.128 -7.738 0.211 1.00 12.11 H new ATOM 0 HA VAL A 50 -1.341 -6.259 2.050 1.00 52.13 H new ATOM 0 HB VAL A 50 -0.713 -8.984 0.820 1.00 33.34 H new ATOM 0 HG11 VAL A 50 1.293 -8.953 2.300 1.00 54.44 H new ATOM 0 HG12 VAL A 50 1.299 -7.611 1.131 1.00 54.44 H new ATOM 0 HG13 VAL A 50 0.860 -7.310 2.829 1.00 54.44 H new ATOM 0 HG21 VAL A 50 -0.829 -9.920 3.122 1.00 10.23 H new ATOM 0 HG22 VAL A 50 -1.413 -8.348 3.718 1.00 10.23 H new ATOM 0 HG23 VAL A 50 -2.398 -9.287 2.571 1.00 10.23 H new ATOM 764 N LEU A 51 -0.369 -5.124 0.041 1.00 65.34 N ATOM 765 CA LEU A 51 0.481 -4.472 -0.986 1.00 71.44 C ATOM 766 C LEU A 51 1.944 -4.459 -0.487 1.00 51.32 C ATOM 767 O LEU A 51 2.251 -3.810 0.507 1.00 71.35 O ATOM 768 CB LEU A 51 -0.079 -3.034 -1.294 1.00 2.24 C ATOM 769 CG LEU A 51 0.719 -2.059 -2.257 1.00 53.52 C ATOM 770 CD1 LEU A 51 1.763 -1.222 -1.494 1.00 51.54 C ATOM 771 CD2 LEU A 51 1.374 -2.802 -3.437 1.00 44.15 C ATOM 0 H LEU A 51 -0.610 -4.508 0.817 1.00 65.34 H new ATOM 0 HA LEU A 51 0.461 -5.025 -1.925 1.00 71.44 H new ATOM 0 HB2 LEU A 51 -1.077 -3.159 -1.714 1.00 2.24 H new ATOM 0 HB3 LEU A 51 -0.197 -2.521 -0.339 1.00 2.24 H new ATOM 0 HG LEU A 51 -0.021 -1.375 -2.673 1.00 53.52 H new ATOM 0 HD11 LEU A 51 2.286 -0.568 -2.192 1.00 51.54 H new ATOM 0 HD12 LEU A 51 1.262 -0.618 -0.737 1.00 51.54 H new ATOM 0 HD13 LEU A 51 2.480 -1.886 -1.012 1.00 51.54 H new ATOM 0 HD21 LEU A 51 1.907 -2.089 -4.065 1.00 44.15 H new ATOM 0 HD22 LEU A 51 2.075 -3.545 -3.055 1.00 44.15 H new ATOM 0 HD23 LEU A 51 0.604 -3.299 -4.026 1.00 44.15 H new ATOM 783 N ARG A 52 2.834 -5.205 -1.175 1.00 20.43 N ATOM 784 CA ARG A 52 4.280 -5.229 -0.861 1.00 75.12 C ATOM 785 C ARG A 52 5.087 -4.554 -1.990 1.00 50.04 C ATOM 786 O ARG A 52 5.196 -5.109 -3.076 1.00 40.41 O ATOM 787 CB ARG A 52 4.790 -6.687 -0.650 1.00 15.03 C ATOM 788 CG ARG A 52 3.956 -7.528 0.332 1.00 61.53 C ATOM 789 CD ARG A 52 4.556 -8.923 0.588 1.00 51.23 C ATOM 790 NE ARG A 52 5.870 -8.853 1.256 1.00 11.11 N ATOM 791 CZ ARG A 52 6.685 -9.867 1.449 1.00 54.32 C ATOM 792 NH1 ARG A 52 6.406 -11.057 1.006 1.00 14.23 N ATOM 793 NH2 ARG A 52 7.788 -9.677 2.086 1.00 75.34 N ATOM 0 H ARG A 52 2.574 -5.804 -1.959 1.00 20.43 H new ATOM 0 HA ARG A 52 4.426 -4.676 0.067 1.00 75.12 H new ATOM 0 HB2 ARG A 52 4.808 -7.193 -1.615 1.00 15.03 H new ATOM 0 HB3 ARG A 52 5.818 -6.649 -0.291 1.00 15.03 H new ATOM 0 HG2 ARG A 52 3.873 -6.995 1.279 1.00 61.53 H new ATOM 0 HG3 ARG A 52 2.945 -7.640 -0.061 1.00 61.53 H new ATOM 0 HD2 ARG A 52 3.869 -9.504 1.203 1.00 51.23 H new ATOM 0 HD3 ARG A 52 4.660 -9.451 -0.360 1.00 51.23 H new ATOM 0 HE ARG A 52 6.172 -7.940 1.597 1.00 11.11 H new ATOM 0 HH11 ARG A 52 5.538 -11.221 0.496 1.00 14.23 H new ATOM 0 HH12 ARG A 52 7.055 -11.827 1.169 1.00 14.23 H new ATOM 0 HH21 ARG A 52 8.022 -8.748 2.435 1.00 75.34 H new ATOM 0 HH22 ARG A 52 8.428 -10.456 2.242 1.00 75.34 H new ATOM 807 N VAL A 53 5.627 -3.343 -1.741 1.00 20.55 N ATOM 808 CA VAL A 53 6.581 -2.689 -2.668 1.00 23.15 C ATOM 809 C VAL A 53 8.020 -3.144 -2.323 1.00 4.55 C ATOM 810 O VAL A 53 8.650 -2.597 -1.416 1.00 11.32 O ATOM 811 CB VAL A 53 6.474 -1.112 -2.616 1.00 1.15 C ATOM 812 CG1 VAL A 53 7.464 -0.435 -3.594 1.00 64.03 C ATOM 813 CG2 VAL A 53 5.028 -0.643 -2.898 1.00 64.25 C ATOM 0 H VAL A 53 5.420 -2.796 -0.906 1.00 20.55 H new ATOM 0 HA VAL A 53 6.329 -2.991 -3.685 1.00 23.15 H new ATOM 0 HB VAL A 53 6.746 -0.806 -1.606 1.00 1.15 H new ATOM 0 HG11 VAL A 53 7.358 0.648 -3.527 1.00 64.03 H new ATOM 0 HG12 VAL A 53 8.484 -0.717 -3.332 1.00 64.03 H new ATOM 0 HG13 VAL A 53 7.248 -0.758 -4.612 1.00 64.03 H new ATOM 0 HG21 VAL A 53 4.984 0.445 -2.856 1.00 64.25 H new ATOM 0 HG22 VAL A 53 4.723 -0.981 -3.888 1.00 64.25 H new ATOM 0 HG23 VAL A 53 4.357 -1.063 -2.149 1.00 64.25 H new ATOM 823 N GLN A 54 8.509 -4.173 -3.045 1.00 51.24 N ATOM 824 CA GLN A 54 9.852 -4.769 -2.828 1.00 11.22 C ATOM 825 C GLN A 54 10.984 -3.717 -2.932 1.00 42.10 C ATOM 826 O GLN A 54 11.128 -3.070 -3.966 1.00 54.23 O ATOM 827 CB GLN A 54 10.107 -5.912 -3.850 1.00 60.12 C ATOM 828 CG GLN A 54 9.119 -7.093 -3.764 1.00 3.04 C ATOM 829 CD GLN A 54 9.430 -8.218 -4.763 1.00 23.12 C ATOM 830 OE1 GLN A 54 9.941 -7.981 -5.856 1.00 45.21 O ATOM 831 NE2 GLN A 54 9.136 -9.451 -4.398 1.00 12.10 N ATOM 0 H GLN A 54 7.985 -4.618 -3.798 1.00 51.24 H new ATOM 0 HA GLN A 54 9.863 -5.171 -1.815 1.00 11.22 H new ATOM 0 HB2 GLN A 54 10.066 -5.495 -4.856 1.00 60.12 H new ATOM 0 HB3 GLN A 54 11.118 -6.292 -3.703 1.00 60.12 H new ATOM 0 HG2 GLN A 54 9.136 -7.499 -2.753 1.00 3.04 H new ATOM 0 HG3 GLN A 54 8.108 -6.726 -3.943 1.00 3.04 H new ATOM 0 HE21 GLN A 54 8.712 -9.626 -3.487 1.00 12.10 H new ATOM 0 HE22 GLN A 54 9.332 -10.230 -5.027 1.00 12.10 H new ATOM 840 N GLY A 55 11.770 -3.563 -1.851 1.00 61.55 N ATOM 841 CA GLY A 55 12.871 -2.588 -1.804 1.00 33.13 C ATOM 842 C GLY A 55 12.410 -1.131 -1.955 1.00 12.22 C ATOM 843 O GLY A 55 12.802 -0.452 -2.894 1.00 73.11 O ATOM 0 H GLY A 55 11.661 -4.106 -0.994 1.00 61.55 H new ATOM 0 HA2 GLY A 55 13.401 -2.696 -0.858 1.00 33.13 H new ATOM 0 HA3 GLY A 55 13.583 -2.819 -2.596 1.00 33.13 H new ATOM 847 N ALA A 56 11.562 -0.671 -1.031 1.00 44.10 N ATOM 848 CA ALA A 56 10.947 0.676 -1.083 1.00 53.20 C ATOM 849 C ALA A 56 11.914 1.793 -0.605 1.00 74.21 C ATOM 850 O ALA A 56 12.241 1.863 0.576 1.00 22.33 O ATOM 851 CB ALA A 56 9.659 0.675 -0.242 1.00 12.22 C ATOM 0 H ALA A 56 11.276 -1.218 -0.219 1.00 44.10 H new ATOM 0 HA ALA A 56 10.712 0.899 -2.124 1.00 53.20 H new ATOM 0 HB1 ALA A 56 9.201 1.664 -0.276 1.00 12.22 H new ATOM 0 HB2 ALA A 56 8.963 -0.061 -0.644 1.00 12.22 H new ATOM 0 HB3 ALA A 56 9.899 0.422 0.791 1.00 12.22 H new ATOM 857 N ARG A 57 12.371 2.656 -1.543 1.00 21.22 N ATOM 858 CA ARG A 57 13.218 3.841 -1.224 1.00 42.12 C ATOM 859 C ARG A 57 12.342 5.080 -0.853 1.00 53.12 C ATOM 860 O ARG A 57 11.120 4.969 -0.718 1.00 22.23 O ATOM 861 CB ARG A 57 14.176 4.197 -2.410 1.00 40.13 C ATOM 862 CG ARG A 57 15.329 3.192 -2.695 1.00 60.10 C ATOM 863 CD ARG A 57 14.862 1.894 -3.378 1.00 1.41 C ATOM 864 NE ARG A 57 14.185 2.153 -4.670 1.00 32.15 N ATOM 865 CZ ARG A 57 13.843 1.241 -5.558 1.00 25.21 C ATOM 866 NH1 ARG A 57 14.095 -0.020 -5.377 1.00 74.44 N ATOM 867 NH2 ARG A 57 13.231 1.607 -6.631 1.00 71.33 N ATOM 0 H ARG A 57 12.167 2.556 -2.537 1.00 21.22 H new ATOM 0 HA ARG A 57 13.827 3.575 -0.360 1.00 42.12 H new ATOM 0 HB2 ARG A 57 13.577 4.295 -3.315 1.00 40.13 H new ATOM 0 HB3 ARG A 57 14.616 5.174 -2.212 1.00 40.13 H new ATOM 0 HG2 ARG A 57 16.074 3.677 -3.326 1.00 60.10 H new ATOM 0 HG3 ARG A 57 15.821 2.941 -1.755 1.00 60.10 H new ATOM 0 HD2 ARG A 57 15.721 1.244 -3.544 1.00 1.41 H new ATOM 0 HD3 ARG A 57 14.182 1.361 -2.714 1.00 1.41 H new ATOM 0 HE ARG A 57 13.964 3.124 -4.892 1.00 32.15 H new ATOM 0 HH11 ARG A 57 14.570 -0.328 -4.529 1.00 74.44 H new ATOM 0 HH12 ARG A 57 13.818 -0.702 -6.083 1.00 74.44 H new ATOM 0 HH21 ARG A 57 13.017 2.592 -6.785 1.00 71.33 H new ATOM 0 HH22 ARG A 57 12.961 0.911 -7.326 1.00 71.33 H new ATOM 881 N SER A 58 12.982 6.268 -0.709 1.00 13.21 N ATOM 882 CA SER A 58 12.291 7.538 -0.317 1.00 13.22 C ATOM 883 C SER A 58 11.210 7.981 -1.340 1.00 2.20 C ATOM 884 O SER A 58 10.241 8.660 -0.975 1.00 43.13 O ATOM 885 CB SER A 58 13.320 8.675 -0.130 1.00 30.33 C ATOM 886 OG SER A 58 14.272 8.337 0.867 1.00 62.10 O ATOM 0 H SER A 58 13.985 6.380 -0.859 1.00 13.21 H new ATOM 0 HA SER A 58 11.783 7.334 0.625 1.00 13.22 H new ATOM 0 HB2 SER A 58 13.829 8.869 -1.074 1.00 30.33 H new ATOM 0 HB3 SER A 58 12.805 9.594 0.149 1.00 30.33 H new ATOM 0 HG SER A 58 14.915 9.070 0.968 1.00 62.10 H new ATOM 892 N GLY A 59 11.380 7.570 -2.613 1.00 0.12 N ATOM 893 CA GLY A 59 10.390 7.836 -3.674 1.00 54.12 C ATOM 894 C GLY A 59 9.056 7.087 -3.481 1.00 12.45 C ATOM 895 O GLY A 59 8.018 7.504 -4.005 1.00 31.10 O ATOM 0 H GLY A 59 12.198 7.050 -2.931 1.00 0.12 H new ATOM 0 HA2 GLY A 59 10.192 8.907 -3.714 1.00 54.12 H new ATOM 0 HA3 GLY A 59 10.818 7.555 -4.636 1.00 54.12 H new ATOM 899 N ASP A 60 9.095 5.979 -2.721 1.00 22.35 N ATOM 900 CA ASP A 60 7.911 5.134 -2.422 1.00 51.11 C ATOM 901 C ASP A 60 7.171 5.588 -1.131 1.00 15.32 C ATOM 902 O ASP A 60 6.164 4.984 -0.738 1.00 74.24 O ATOM 903 CB ASP A 60 8.370 3.663 -2.296 1.00 33.23 C ATOM 904 CG ASP A 60 9.124 3.189 -3.548 1.00 42.31 C ATOM 905 OD1 ASP A 60 8.472 2.768 -4.520 1.00 51.50 O ATOM 906 OD2 ASP A 60 10.376 3.292 -3.590 1.00 63.13 O ATOM 0 H ASP A 60 9.954 5.636 -2.290 1.00 22.35 H new ATOM 0 HA ASP A 60 7.198 5.238 -3.240 1.00 51.11 H new ATOM 0 HB2 ASP A 60 9.014 3.557 -1.423 1.00 33.23 H new ATOM 0 HB3 ASP A 60 7.502 3.025 -2.132 1.00 33.23 H new ATOM 911 N ALA A 61 7.680 6.650 -0.478 1.00 1.44 N ATOM 912 CA ALA A 61 7.013 7.284 0.680 1.00 41.30 C ATOM 913 C ALA A 61 5.847 8.168 0.195 1.00 51.00 C ATOM 914 O ALA A 61 6.070 9.278 -0.304 1.00 52.22 O ATOM 915 CB ALA A 61 8.027 8.109 1.486 1.00 21.22 C ATOM 0 H ALA A 61 8.562 7.093 -0.736 1.00 1.44 H new ATOM 0 HA ALA A 61 6.610 6.509 1.331 1.00 41.30 H new ATOM 0 HB1 ALA A 61 7.526 8.572 2.336 1.00 21.22 H new ATOM 0 HB2 ALA A 61 8.823 7.457 1.845 1.00 21.22 H new ATOM 0 HB3 ALA A 61 8.453 8.885 0.850 1.00 21.22 H new ATOM 921 N GLY A 62 4.614 7.655 0.310 1.00 44.11 N ATOM 922 CA GLY A 62 3.444 8.342 -0.240 1.00 60.44 C ATOM 923 C GLY A 62 2.108 7.779 0.233 1.00 52.02 C ATOM 924 O GLY A 62 2.059 6.886 1.079 1.00 44.20 O ATOM 0 H GLY A 62 4.405 6.772 0.776 1.00 44.11 H new ATOM 0 HA2 GLY A 62 3.496 9.397 0.029 1.00 60.44 H new ATOM 0 HA3 GLY A 62 3.483 8.288 -1.328 1.00 60.44 H new ATOM 928 N GLU A 63 1.014 8.316 -0.324 1.00 12.11 N ATOM 929 CA GLU A 63 -0.353 7.928 0.054 1.00 72.44 C ATOM 930 C GLU A 63 -0.838 6.744 -0.807 1.00 24.11 C ATOM 931 O GLU A 63 -1.079 6.892 -2.015 1.00 23.24 O ATOM 932 CB GLU A 63 -1.336 9.121 -0.095 1.00 35.40 C ATOM 933 CG GLU A 63 -0.979 10.408 0.696 1.00 53.21 C ATOM 934 CD GLU A 63 0.237 11.182 0.141 1.00 24.21 C ATOM 935 OE1 GLU A 63 0.163 11.672 -1.006 1.00 4.31 O ATOM 936 OE2 GLU A 63 1.289 11.253 0.815 1.00 13.24 O ATOM 0 H GLU A 63 1.051 9.032 -1.050 1.00 12.11 H new ATOM 0 HA GLU A 63 -0.333 7.624 1.101 1.00 72.44 H new ATOM 0 HB2 GLU A 63 -1.406 9.377 -1.152 1.00 35.40 H new ATOM 0 HB3 GLU A 63 -2.326 8.790 0.219 1.00 35.40 H new ATOM 0 HG2 GLU A 63 -1.845 11.070 0.699 1.00 53.21 H new ATOM 0 HG3 GLU A 63 -0.780 10.139 1.733 1.00 53.21 H new ATOM 943 N TYR A 64 -0.944 5.567 -0.181 1.00 52.11 N ATOM 944 CA TYR A 64 -1.502 4.359 -0.814 1.00 52.13 C ATOM 945 C TYR A 64 -2.976 4.183 -0.393 1.00 60.11 C ATOM 946 O TYR A 64 -3.261 3.884 0.762 1.00 73.13 O ATOM 947 CB TYR A 64 -0.662 3.112 -0.426 1.00 60.41 C ATOM 948 CG TYR A 64 0.774 3.122 -0.977 1.00 4.42 C ATOM 949 CD1 TYR A 64 1.750 3.962 -0.437 1.00 24.13 C ATOM 950 CD2 TYR A 64 1.148 2.296 -2.041 1.00 14.02 C ATOM 951 CE1 TYR A 64 3.036 3.973 -0.928 1.00 64.45 C ATOM 952 CE2 TYR A 64 2.437 2.304 -2.536 1.00 23.23 C ATOM 953 CZ TYR A 64 3.378 3.143 -1.977 1.00 5.54 C ATOM 954 OH TYR A 64 4.663 3.158 -2.473 1.00 52.40 O ATOM 0 H TYR A 64 -0.645 5.421 0.783 1.00 52.11 H new ATOM 0 HA TYR A 64 -1.461 4.470 -1.898 1.00 52.13 H new ATOM 0 HB2 TYR A 64 -0.622 3.039 0.661 1.00 60.41 H new ATOM 0 HB3 TYR A 64 -1.171 2.218 -0.787 1.00 60.41 H new ATOM 0 HD1 TYR A 64 1.491 4.616 0.382 1.00 24.13 H new ATOM 0 HD2 TYR A 64 0.415 1.639 -2.484 1.00 14.02 H new ATOM 0 HE1 TYR A 64 3.776 4.629 -0.494 1.00 64.45 H new ATOM 0 HE2 TYR A 64 2.707 1.656 -3.357 1.00 23.23 H new ATOM 0 HH TYR A 64 5.216 3.757 -1.930 1.00 52.40 H new ATOM 964 N LEU A 65 -3.904 4.338 -1.337 1.00 4.54 N ATOM 965 CA LEU A 65 -5.348 4.306 -1.046 1.00 31.10 C ATOM 966 C LEU A 65 -5.894 2.870 -1.197 1.00 62.44 C ATOM 967 O LEU A 65 -6.041 2.349 -2.309 1.00 63.31 O ATOM 968 CB LEU A 65 -6.094 5.301 -1.981 1.00 5.14 C ATOM 969 CG LEU A 65 -7.660 5.259 -1.962 1.00 41.01 C ATOM 970 CD1 LEU A 65 -8.237 5.500 -0.552 1.00 21.23 C ATOM 971 CD2 LEU A 65 -8.245 6.260 -2.982 1.00 33.22 C ATOM 0 H LEU A 65 -3.684 4.489 -2.321 1.00 4.54 H new ATOM 0 HA LEU A 65 -5.517 4.616 -0.015 1.00 31.10 H new ATOM 0 HB2 LEU A 65 -5.779 6.311 -1.720 1.00 5.14 H new ATOM 0 HB3 LEU A 65 -5.763 5.118 -3.003 1.00 5.14 H new ATOM 0 HG LEU A 65 -7.959 4.252 -2.254 1.00 41.01 H new ATOM 0 HD11 LEU A 65 -9.326 5.461 -0.593 1.00 21.23 H new ATOM 0 HD12 LEU A 65 -7.871 4.730 0.127 1.00 21.23 H new ATOM 0 HD13 LEU A 65 -7.922 6.480 -0.193 1.00 21.23 H new ATOM 0 HD21 LEU A 65 -9.334 6.215 -2.953 1.00 33.22 H new ATOM 0 HD22 LEU A 65 -7.917 7.269 -2.731 1.00 33.22 H new ATOM 0 HD23 LEU A 65 -7.898 6.004 -3.983 1.00 33.22 H new ATOM 983 N CYS A 66 -6.139 2.224 -0.046 1.00 54.05 N ATOM 984 CA CYS A 66 -6.843 0.936 0.022 1.00 40.23 C ATOM 985 C CYS A 66 -8.363 1.203 0.059 1.00 53.42 C ATOM 986 O CYS A 66 -8.977 1.319 1.134 1.00 15.34 O ATOM 987 CB CYS A 66 -6.370 0.156 1.271 1.00 51.41 C ATOM 988 SG CYS A 66 -7.099 -1.480 1.485 1.00 13.03 S ATOM 0 H CYS A 66 -5.853 2.582 0.865 1.00 54.05 H new ATOM 0 HA CYS A 66 -6.620 0.328 -0.854 1.00 40.23 H new ATOM 0 HB2 CYS A 66 -5.286 0.049 1.222 1.00 51.41 H new ATOM 0 HB3 CYS A 66 -6.592 0.752 2.156 1.00 51.41 H new ATOM 0 HG CYS A 66 -6.159 -2.378 1.482 1.00 13.03 H new ATOM 994 N ASP A 67 -8.951 1.335 -1.139 1.00 12.35 N ATOM 995 CA ASP A 67 -10.378 1.656 -1.319 1.00 24.10 C ATOM 996 C ASP A 67 -11.232 0.379 -1.186 1.00 54.13 C ATOM 997 O ASP A 67 -11.232 -0.470 -2.073 1.00 55.23 O ATOM 998 CB ASP A 67 -10.582 2.343 -2.695 1.00 1.04 C ATOM 999 CG ASP A 67 -12.032 2.797 -2.948 1.00 24.14 C ATOM 1000 OD1 ASP A 67 -12.461 3.807 -2.346 1.00 23.42 O ATOM 1001 OD2 ASP A 67 -12.752 2.149 -3.747 1.00 40.31 O ATOM 0 H ASP A 67 -8.447 1.221 -2.019 1.00 12.35 H new ATOM 0 HA ASP A 67 -10.702 2.347 -0.541 1.00 24.10 H new ATOM 0 HB2 ASP A 67 -9.922 3.208 -2.761 1.00 1.04 H new ATOM 0 HB3 ASP A 67 -10.283 1.653 -3.484 1.00 1.04 H new ATOM 1006 N ALA A 68 -11.936 0.242 -0.058 1.00 3.32 N ATOM 1007 CA ALA A 68 -12.707 -0.980 0.277 1.00 5.12 C ATOM 1008 C ALA A 68 -14.229 -0.712 0.311 1.00 14.01 C ATOM 1009 O ALA A 68 -14.639 0.454 0.434 1.00 20.12 O ATOM 1010 CB ALA A 68 -12.215 -1.508 1.624 1.00 32.12 C ATOM 0 H ALA A 68 -11.993 0.970 0.655 1.00 3.32 H new ATOM 0 HA ALA A 68 -12.543 -1.727 -0.500 1.00 5.12 H new ATOM 0 HB1 ALA A 68 -12.771 -2.408 1.887 1.00 32.12 H new ATOM 0 HB2 ALA A 68 -11.153 -1.745 1.556 1.00 32.12 H new ATOM 0 HB3 ALA A 68 -12.369 -0.749 2.391 1.00 32.12 H new ATOM 1016 N PRO A 69 -15.103 -1.784 0.197 1.00 54.23 N ATOM 1017 CA PRO A 69 -16.582 -1.630 0.310 1.00 33.53 C ATOM 1018 C PRO A 69 -17.009 -0.977 1.661 1.00 31.53 C ATOM 1019 O PRO A 69 -16.676 -1.495 2.730 1.00 1.05 O ATOM 1020 CB PRO A 69 -17.115 -3.090 0.169 1.00 72.30 C ATOM 1021 CG PRO A 69 -15.931 -3.968 0.452 1.00 31.44 C ATOM 1022 CD PRO A 69 -14.736 -3.211 -0.072 1.00 74.33 C ATOM 0 HA PRO A 69 -16.989 -0.959 -0.447 1.00 33.53 H new ATOM 0 HB2 PRO A 69 -17.926 -3.283 0.871 1.00 72.30 H new ATOM 0 HB3 PRO A 69 -17.510 -3.271 -0.831 1.00 72.30 H new ATOM 0 HG2 PRO A 69 -15.834 -4.165 1.520 1.00 31.44 H new ATOM 0 HG3 PRO A 69 -16.031 -4.934 -0.042 1.00 31.44 H new ATOM 0 HD2 PRO A 69 -13.819 -3.497 0.443 1.00 74.33 H new ATOM 0 HD3 PRO A 69 -14.575 -3.394 -1.134 1.00 74.33 H new ATOM 1030 N GLN A 70 -17.699 0.187 1.562 1.00 32.34 N ATOM 1031 CA GLN A 70 -18.164 1.018 2.708 1.00 23.31 C ATOM 1032 C GLN A 70 -17.004 1.822 3.367 1.00 63.11 C ATOM 1033 O GLN A 70 -17.033 3.056 3.381 1.00 74.21 O ATOM 1034 CB GLN A 70 -18.952 0.177 3.767 1.00 50.43 C ATOM 1035 CG GLN A 70 -19.614 0.991 4.906 1.00 73.44 C ATOM 1036 CD GLN A 70 -20.733 1.934 4.439 1.00 52.51 C ATOM 1037 OE1 GLN A 70 -21.425 1.673 3.459 1.00 70.44 O ATOM 1038 NE2 GLN A 70 -20.938 3.019 5.154 1.00 32.52 N ATOM 0 H GLN A 70 -17.956 0.587 0.659 1.00 32.34 H new ATOM 0 HA GLN A 70 -18.860 1.746 2.292 1.00 23.31 H new ATOM 0 HB2 GLN A 70 -19.727 -0.390 3.251 1.00 50.43 H new ATOM 0 HB3 GLN A 70 -18.269 -0.547 4.211 1.00 50.43 H new ATOM 0 HG2 GLN A 70 -20.022 0.299 5.642 1.00 73.44 H new ATOM 0 HG3 GLN A 70 -18.847 1.578 5.411 1.00 73.44 H new ATOM 0 HE21 GLN A 70 -20.350 3.215 5.964 1.00 32.52 H new ATOM 0 HE22 GLN A 70 -21.685 3.665 4.898 1.00 32.52 H new ATOM 1047 N ASP A 71 -15.982 1.124 3.901 1.00 73.43 N ATOM 1048 CA ASP A 71 -14.878 1.754 4.668 1.00 71.35 C ATOM 1049 C ASP A 71 -13.558 1.811 3.844 1.00 23.13 C ATOM 1050 O ASP A 71 -12.830 0.824 3.754 1.00 13.11 O ATOM 1051 CB ASP A 71 -14.687 0.964 5.988 1.00 21.22 C ATOM 1052 CG ASP A 71 -13.618 1.559 6.921 1.00 71.02 C ATOM 1053 OD1 ASP A 71 -13.812 2.689 7.407 1.00 3.42 O ATOM 1054 OD2 ASP A 71 -12.594 0.899 7.191 1.00 22.13 O ATOM 0 H ASP A 71 -15.895 0.111 3.816 1.00 73.43 H new ATOM 0 HA ASP A 71 -15.140 2.788 4.892 1.00 71.35 H new ATOM 0 HB2 ASP A 71 -15.638 0.927 6.519 1.00 21.22 H new ATOM 0 HB3 ASP A 71 -14.415 -0.064 5.749 1.00 21.22 H new ATOM 1059 N SER A 72 -13.271 2.984 3.240 1.00 72.20 N ATOM 1060 CA SER A 72 -12.026 3.233 2.449 1.00 33.34 C ATOM 1061 C SER A 72 -10.927 3.897 3.325 1.00 45.54 C ATOM 1062 O SER A 72 -11.191 4.906 3.991 1.00 33.24 O ATOM 1063 CB SER A 72 -12.352 4.137 1.232 1.00 34.10 C ATOM 1064 OG SER A 72 -11.199 4.406 0.447 1.00 73.43 O ATOM 0 H SER A 72 -13.891 3.793 3.282 1.00 72.20 H new ATOM 0 HA SER A 72 -11.645 2.274 2.099 1.00 33.34 H new ATOM 0 HB2 SER A 72 -13.108 3.654 0.613 1.00 34.10 H new ATOM 0 HB3 SER A 72 -12.780 5.076 1.582 1.00 34.10 H new ATOM 0 HG SER A 72 -11.436 4.374 -0.503 1.00 73.43 H new ATOM 1070 N ARG A 73 -9.694 3.337 3.314 1.00 50.33 N ATOM 1071 CA ARG A 73 -8.559 3.828 4.155 1.00 11.15 C ATOM 1072 C ARG A 73 -7.357 4.304 3.302 1.00 5.43 C ATOM 1073 O ARG A 73 -6.904 3.602 2.394 1.00 0.53 O ATOM 1074 CB ARG A 73 -8.094 2.715 5.144 1.00 34.02 C ATOM 1075 CG ARG A 73 -9.149 2.326 6.203 1.00 35.02 C ATOM 1076 CD ARG A 73 -9.524 3.487 7.140 1.00 1.44 C ATOM 1077 NE ARG A 73 -10.709 3.167 7.956 1.00 34.34 N ATOM 1078 CZ ARG A 73 -11.018 3.685 9.123 1.00 1.03 C ATOM 1079 NH1 ARG A 73 -10.237 4.516 9.735 1.00 12.45 N ATOM 1080 NH2 ARG A 73 -12.125 3.344 9.679 1.00 31.22 N ATOM 0 H ARG A 73 -9.452 2.537 2.729 1.00 50.33 H new ATOM 0 HA ARG A 73 -8.928 4.687 4.715 1.00 11.15 H new ATOM 0 HB2 ARG A 73 -7.825 1.827 4.573 1.00 34.02 H new ATOM 0 HB3 ARG A 73 -7.191 3.052 5.654 1.00 34.02 H new ATOM 0 HG2 ARG A 73 -10.047 1.971 5.698 1.00 35.02 H new ATOM 0 HG3 ARG A 73 -8.768 1.496 6.798 1.00 35.02 H new ATOM 0 HD2 ARG A 73 -8.682 3.713 7.794 1.00 1.44 H new ATOM 0 HD3 ARG A 73 -9.719 4.382 6.550 1.00 1.44 H new ATOM 0 HE ARG A 73 -11.354 2.474 7.576 1.00 34.34 H new ATOM 0 HH11 ARG A 73 -9.350 4.788 9.312 1.00 12.45 H new ATOM 0 HH12 ARG A 73 -10.509 4.899 10.640 1.00 12.45 H new ATOM 0 HH21 ARG A 73 -12.746 2.682 9.214 1.00 31.22 H new ATOM 0 HH22 ARG A 73 -12.382 3.735 10.585 1.00 31.22 H new ATOM 1094 N ILE A 74 -6.847 5.515 3.620 1.00 2.22 N ATOM 1095 CA ILE A 74 -5.591 6.051 3.047 1.00 31.42 C ATOM 1096 C ILE A 74 -4.403 5.612 3.944 1.00 22.33 C ATOM 1097 O ILE A 74 -4.489 5.663 5.175 1.00 3.23 O ATOM 1098 CB ILE A 74 -5.612 7.639 2.903 1.00 61.35 C ATOM 1099 CG1 ILE A 74 -6.661 8.128 1.834 1.00 51.32 C ATOM 1100 CG2 ILE A 74 -4.204 8.205 2.566 1.00 44.33 C ATOM 1101 CD1 ILE A 74 -8.129 7.951 2.205 1.00 32.41 C ATOM 0 H ILE A 74 -7.295 6.149 4.282 1.00 2.22 H new ATOM 0 HA ILE A 74 -5.481 5.647 2.041 1.00 31.42 H new ATOM 0 HB ILE A 74 -5.918 8.027 3.875 1.00 61.35 H new ATOM 0 HG12 ILE A 74 -6.482 9.185 1.636 1.00 51.32 H new ATOM 0 HG13 ILE A 74 -6.476 7.594 0.902 1.00 51.32 H new ATOM 0 HG21 ILE A 74 -4.260 9.290 2.476 1.00 44.33 H new ATOM 0 HG22 ILE A 74 -3.506 7.942 3.361 1.00 44.33 H new ATOM 0 HG23 ILE A 74 -3.857 7.780 1.624 1.00 44.33 H new ATOM 0 HD11 ILE A 74 -8.756 8.322 1.395 1.00 32.41 H new ATOM 0 HD12 ILE A 74 -8.338 6.894 2.370 1.00 32.41 H new ATOM 0 HD13 ILE A 74 -8.344 8.510 3.116 1.00 32.41 H new ATOM 1113 N PHE A 75 -3.310 5.154 3.315 1.00 43.42 N ATOM 1114 CA PHE A 75 -2.094 4.706 4.018 1.00 44.33 C ATOM 1115 C PHE A 75 -0.986 5.753 3.855 1.00 55.50 C ATOM 1116 O PHE A 75 -0.373 5.860 2.786 1.00 61.13 O ATOM 1117 CB PHE A 75 -1.632 3.309 3.491 1.00 35.13 C ATOM 1118 CG PHE A 75 -2.502 2.142 3.964 1.00 40.04 C ATOM 1119 CD1 PHE A 75 -3.881 2.141 3.753 1.00 63.33 C ATOM 1120 CD2 PHE A 75 -1.944 1.063 4.650 1.00 33.43 C ATOM 1121 CE1 PHE A 75 -4.664 1.108 4.204 1.00 21.13 C ATOM 1122 CE2 PHE A 75 -2.732 0.032 5.101 1.00 23.52 C ATOM 1123 CZ PHE A 75 -4.092 0.060 4.879 1.00 71.03 C ATOM 0 H PHE A 75 -3.243 5.083 2.300 1.00 43.42 H new ATOM 0 HA PHE A 75 -2.317 4.599 5.080 1.00 44.33 H new ATOM 0 HB2 PHE A 75 -1.629 3.327 2.401 1.00 35.13 H new ATOM 0 HB3 PHE A 75 -0.604 3.134 3.810 1.00 35.13 H new ATOM 0 HD1 PHE A 75 -4.339 2.965 3.227 1.00 63.33 H new ATOM 0 HD2 PHE A 75 -0.879 1.038 4.829 1.00 33.43 H new ATOM 0 HE1 PHE A 75 -5.729 1.120 4.028 1.00 21.13 H new ATOM 0 HE2 PHE A 75 -2.287 -0.799 5.628 1.00 23.52 H new ATOM 0 HZ PHE A 75 -4.711 -0.748 5.239 1.00 71.03 H new ATOM 1133 N LEU A 76 -0.749 6.540 4.920 1.00 23.22 N ATOM 1134 CA LEU A 76 0.326 7.544 4.938 1.00 34.12 C ATOM 1135 C LEU A 76 1.674 6.831 5.184 1.00 31.12 C ATOM 1136 O LEU A 76 2.049 6.547 6.331 1.00 62.31 O ATOM 1137 CB LEU A 76 0.041 8.621 6.028 1.00 33.52 C ATOM 1138 CG LEU A 76 -1.327 9.373 5.900 1.00 12.11 C ATOM 1139 CD1 LEU A 76 -1.548 10.352 7.077 1.00 13.24 C ATOM 1140 CD2 LEU A 76 -1.447 10.100 4.539 1.00 35.12 C ATOM 0 H LEU A 76 -1.292 6.498 5.783 1.00 23.22 H new ATOM 0 HA LEU A 76 0.372 8.058 3.978 1.00 34.12 H new ATOM 0 HB2 LEU A 76 0.080 8.141 7.006 1.00 33.52 H new ATOM 0 HB3 LEU A 76 0.843 9.358 6.002 1.00 33.52 H new ATOM 0 HG LEU A 76 -2.115 8.621 5.944 1.00 12.11 H new ATOM 0 HD11 LEU A 76 -2.507 10.856 6.956 1.00 13.24 H new ATOM 0 HD12 LEU A 76 -1.545 9.799 8.016 1.00 13.24 H new ATOM 0 HD13 LEU A 76 -0.748 11.092 7.090 1.00 13.24 H new ATOM 0 HD21 LEU A 76 -2.408 10.611 4.483 1.00 35.12 H new ATOM 0 HD22 LEU A 76 -0.642 10.829 4.443 1.00 35.12 H new ATOM 0 HD23 LEU A 76 -1.376 9.373 3.730 1.00 35.12 H new ATOM 1152 N VAL A 77 2.354 6.482 4.081 1.00 71.35 N ATOM 1153 CA VAL A 77 3.656 5.797 4.114 1.00 5.10 C ATOM 1154 C VAL A 77 4.805 6.814 4.192 1.00 65.11 C ATOM 1155 O VAL A 77 4.843 7.793 3.436 1.00 64.42 O ATOM 1156 CB VAL A 77 3.830 4.845 2.876 1.00 41.44 C ATOM 1157 CG1 VAL A 77 5.283 4.309 2.746 1.00 1.31 C ATOM 1158 CG2 VAL A 77 2.801 3.683 2.950 1.00 63.15 C ATOM 0 H VAL A 77 2.015 6.668 3.137 1.00 71.35 H new ATOM 0 HA VAL A 77 3.687 5.180 5.012 1.00 5.10 H new ATOM 0 HB VAL A 77 3.636 5.428 1.976 1.00 41.44 H new ATOM 0 HG11 VAL A 77 5.353 3.656 1.876 1.00 1.31 H new ATOM 0 HG12 VAL A 77 5.971 5.146 2.628 1.00 1.31 H new ATOM 0 HG13 VAL A 77 5.546 3.748 3.643 1.00 1.31 H new ATOM 0 HG21 VAL A 77 2.929 3.028 2.088 1.00 63.15 H new ATOM 0 HG22 VAL A 77 2.961 3.113 3.865 1.00 63.15 H new ATOM 0 HG23 VAL A 77 1.790 4.091 2.949 1.00 63.15 H new ATOM 1168 N SER A 78 5.747 6.555 5.110 1.00 52.22 N ATOM 1169 CA SER A 78 6.901 7.432 5.349 1.00 75.23 C ATOM 1170 C SER A 78 8.203 6.608 5.457 1.00 61.24 C ATOM 1171 O SER A 78 8.409 5.869 6.421 1.00 55.13 O ATOM 1172 CB SER A 78 6.664 8.260 6.632 1.00 12.15 C ATOM 1173 OG SER A 78 5.478 9.044 6.543 1.00 3.54 O ATOM 0 H SER A 78 5.730 5.729 5.709 1.00 52.22 H new ATOM 0 HA SER A 78 7.011 8.113 4.505 1.00 75.23 H new ATOM 0 HB2 SER A 78 6.594 7.590 7.489 1.00 12.15 H new ATOM 0 HB3 SER A 78 7.519 8.913 6.807 1.00 12.15 H new ATOM 0 HG SER A 78 5.359 9.553 7.372 1.00 3.54 H new ATOM 1179 N VAL A 79 9.063 6.725 4.438 1.00 64.35 N ATOM 1180 CA VAL A 79 10.403 6.122 4.441 1.00 61.14 C ATOM 1181 C VAL A 79 11.383 7.140 5.067 1.00 14.24 C ATOM 1182 O VAL A 79 11.718 8.156 4.445 1.00 34.52 O ATOM 1183 CB VAL A 79 10.838 5.728 2.978 1.00 61.53 C ATOM 1184 CG1 VAL A 79 12.253 5.107 2.941 1.00 2.24 C ATOM 1185 CG2 VAL A 79 9.790 4.782 2.324 1.00 12.01 C ATOM 0 H VAL A 79 8.849 7.242 3.585 1.00 64.35 H new ATOM 0 HA VAL A 79 10.405 5.204 5.029 1.00 61.14 H new ATOM 0 HB VAL A 79 10.879 6.647 2.393 1.00 61.53 H new ATOM 0 HG11 VAL A 79 12.511 4.851 1.913 1.00 2.24 H new ATOM 0 HG12 VAL A 79 12.976 5.825 3.329 1.00 2.24 H new ATOM 0 HG13 VAL A 79 12.271 4.207 3.555 1.00 2.24 H new ATOM 0 HG21 VAL A 79 10.112 4.524 1.315 1.00 12.01 H new ATOM 0 HG22 VAL A 79 9.699 3.873 2.919 1.00 12.01 H new ATOM 0 HG23 VAL A 79 8.824 5.285 2.279 1.00 12.01 H new ATOM 1195 N GLU A 80 11.824 6.867 6.311 1.00 2.11 N ATOM 1196 CA GLU A 80 12.544 7.872 7.141 1.00 2.24 C ATOM 1197 C GLU A 80 13.586 7.249 8.102 1.00 33.30 C ATOM 1198 O GLU A 80 14.107 7.940 8.989 1.00 64.55 O ATOM 1199 CB GLU A 80 11.506 8.725 7.934 1.00 21.44 C ATOM 1200 CG GLU A 80 10.554 7.908 8.837 1.00 1.43 C ATOM 1201 CD GLU A 80 9.605 8.792 9.671 1.00 15.21 C ATOM 1202 OE1 GLU A 80 10.021 9.289 10.738 1.00 63.50 O ATOM 1203 OE2 GLU A 80 8.442 9.009 9.262 1.00 55.02 O ATOM 0 H GLU A 80 11.698 5.964 6.768 1.00 2.11 H new ATOM 0 HA GLU A 80 13.112 8.505 6.459 1.00 2.24 H new ATOM 0 HB2 GLU A 80 12.043 9.444 8.552 1.00 21.44 H new ATOM 0 HB3 GLU A 80 10.909 9.298 7.224 1.00 21.44 H new ATOM 0 HG2 GLU A 80 9.962 7.235 8.216 1.00 1.43 H new ATOM 0 HG3 GLU A 80 11.145 7.285 9.509 1.00 1.43 H new ATOM 1210 N GLU A 81 13.902 5.963 7.916 1.00 15.53 N ATOM 1211 CA GLU A 81 14.941 5.263 8.710 1.00 51.03 C ATOM 1212 C GLU A 81 15.977 4.619 7.755 1.00 0.35 C ATOM 1213 O GLU A 81 15.686 3.578 7.188 1.00 74.51 O ATOM 1214 CB GLU A 81 14.292 4.181 9.620 1.00 34.15 C ATOM 1215 CG GLU A 81 15.292 3.447 10.533 1.00 72.32 C ATOM 1216 CD GLU A 81 14.643 2.337 11.372 1.00 31.33 C ATOM 1217 OE1 GLU A 81 13.973 2.655 12.378 1.00 22.24 O ATOM 1218 OE2 GLU A 81 14.786 1.143 11.022 1.00 13.32 O ATOM 0 H GLU A 81 13.452 5.372 7.216 1.00 15.53 H new ATOM 0 HA GLU A 81 15.448 5.985 9.350 1.00 51.03 H new ATOM 0 HB2 GLU A 81 13.529 4.652 10.239 1.00 34.15 H new ATOM 0 HB3 GLU A 81 13.785 3.449 8.991 1.00 34.15 H new ATOM 0 HG2 GLU A 81 16.084 3.015 9.921 1.00 72.32 H new ATOM 0 HG3 GLU A 81 15.763 4.169 11.200 1.00 72.32 H new ATOM 1225 N PRO A 82 17.185 5.242 7.532 1.00 54.23 N ATOM 1226 CA PRO A 82 18.234 4.704 6.602 1.00 71.31 C ATOM 1227 C PRO A 82 18.624 3.209 6.867 1.00 41.34 C ATOM 1228 O PRO A 82 18.339 2.341 6.009 1.00 37.28 O ATOM 1229 CB PRO A 82 19.435 5.659 6.839 1.00 34.23 C ATOM 1230 CG PRO A 82 18.802 6.940 7.284 1.00 20.40 C ATOM 1231 CD PRO A 82 17.626 6.525 8.143 1.00 15.44 C ATOM 1232 OXT PRO A 82 19.198 2.908 7.943 1.00 37.28 O ATOM 0 HA PRO A 82 17.879 4.682 5.571 1.00 71.31 H new ATOM 0 HB2 PRO A 82 20.113 5.266 7.596 1.00 34.23 H new ATOM 0 HB3 PRO A 82 20.019 5.798 5.929 1.00 34.23 H new ATOM 0 HG2 PRO A 82 19.506 7.551 7.849 1.00 20.40 H new ATOM 0 HG3 PRO A 82 18.476 7.535 6.431 1.00 20.40 H new ATOM 0 HD2 PRO A 82 17.917 6.394 9.185 1.00 15.44 H new ATOM 0 HD3 PRO A 82 16.832 7.272 8.125 1.00 15.44 H new TER 1240 PRO A 82