USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 869 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 Single : A 21 MET CE :methyl 160:sc= -0.149 (180deg=-1.28) USER MOD Single : A 29 SER OG : rot -110:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.071) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc=-0.000533 (180deg=-0.0347) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 2.42 (180deg=1.71) USER MOD Single : A 41 MET CE :methyl -154:sc= -3.16 (180deg=-4.58!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.0122 (180deg=-0.144) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.461 F(o=-1.3,f=-0.46) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.352 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.07) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= -0.95 (180deg=-2.06!) USER MOD Single : A 81 THR OG1 : rot 67:sc= -1.06 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= -0.0174 (180deg=-0.181) USER MOD Single : A 90 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.8 (180deg=1.07) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= -0.063 (180deg=-0.4) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0269 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.212) USER MOD Single : A 123 SER OG : rot 76:sc= -1.41! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 4.406 -16.499 0.745 1.00 1.82 N ATOM 2 CA MET A 21 3.626 -15.328 1.197 1.00 1.48 C ATOM 3 C MET A 21 4.024 -14.100 0.395 1.00 1.22 C ATOM 4 O MET A 21 5.198 -13.741 0.344 1.00 1.47 O ATOM 5 CB MET A 21 3.862 -15.075 2.688 1.00 1.86 C ATOM 6 CG MET A 21 3.049 -13.916 3.243 1.00 1.95 C ATOM 7 SD MET A 21 3.413 -13.573 4.976 1.00 2.87 S ATOM 8 CE MET A 21 5.139 -13.101 4.871 1.00 3.09 C ATOM 0 HA MET A 21 2.567 -15.531 1.039 1.00 1.48 H new ATOM 0 HB2 MET A 21 3.617 -15.979 3.245 1.00 1.86 H new ATOM 0 HB3 MET A 21 4.921 -14.877 2.851 1.00 1.86 H new ATOM 0 HG2 MET A 21 3.248 -13.023 2.651 1.00 1.95 H new ATOM 0 HG3 MET A 21 1.987 -14.139 3.137 1.00 1.95 H new ATOM 0 HE1 MET A 21 5.415 -12.532 5.759 1.00 3.09 H new ATOM 0 HE2 MET A 21 5.758 -13.996 4.807 1.00 3.09 H new ATOM 0 HE3 MET A 21 5.295 -12.488 3.983 1.00 3.09 H new ATOM 17 N ARG A 22 3.049 -13.464 -0.237 1.00 0.88 N ATOM 18 CA ARG A 22 3.316 -12.282 -1.043 1.00 0.73 C ATOM 19 C ARG A 22 3.239 -11.019 -0.197 1.00 0.55 C ATOM 20 O ARG A 22 2.335 -10.864 0.629 1.00 0.56 O ATOM 21 CB ARG A 22 2.333 -12.195 -2.215 1.00 0.86 C ATOM 22 CG ARG A 22 2.506 -13.310 -3.235 1.00 1.33 C ATOM 23 CD ARG A 22 1.411 -13.294 -4.291 1.00 1.33 C ATOM 24 NE ARG A 22 1.444 -12.091 -5.125 1.00 1.91 N ATOM 25 CZ ARG A 22 0.773 -11.964 -6.270 1.00 2.43 C ATOM 26 NH1 ARG A 22 0.070 -12.983 -6.747 1.00 2.62 N ATOM 27 NH2 ARG A 22 0.823 -10.828 -6.948 1.00 3.31 N ATOM 0 H ARG A 22 2.069 -13.745 -0.208 1.00 0.88 H new ATOM 0 HA ARG A 22 4.327 -12.368 -1.441 1.00 0.73 H new ATOM 0 HB2 ARG A 22 1.315 -12.222 -1.828 1.00 0.86 H new ATOM 0 HB3 ARG A 22 2.459 -11.234 -2.714 1.00 0.86 H new ATOM 0 HG2 ARG A 22 3.477 -13.210 -3.719 1.00 1.33 H new ATOM 0 HG3 ARG A 22 2.502 -14.273 -2.724 1.00 1.33 H new ATOM 0 HD2 ARG A 22 1.513 -14.174 -4.926 1.00 1.33 H new ATOM 0 HD3 ARG A 22 0.440 -13.365 -3.802 1.00 1.33 H new ATOM 0 HE ARG A 22 2.013 -11.305 -4.812 1.00 1.91 H new ATOM 0 HH11 ARG A 22 0.042 -13.866 -6.237 1.00 2.62 H new ATOM 0 HH12 ARG A 22 -0.443 -12.883 -7.623 1.00 2.62 H new ATOM 0 HH21 ARG A 22 1.376 -10.047 -6.595 1.00 3.31 H new ATOM 0 HH22 ARG A 22 0.309 -10.734 -7.824 1.00 3.31 H new ATOM 41 N LEU A 23 4.206 -10.133 -0.395 1.00 0.51 N ATOM 42 CA LEU A 23 4.222 -8.845 0.280 1.00 0.43 C ATOM 43 C LEU A 23 3.874 -7.752 -0.716 1.00 0.37 C ATOM 44 O LEU A 23 4.723 -7.318 -1.499 1.00 0.40 O ATOM 45 CB LEU A 23 5.593 -8.548 0.906 1.00 0.58 C ATOM 46 CG LEU A 23 6.005 -9.409 2.111 1.00 1.05 C ATOM 47 CD1 LEU A 23 4.858 -9.554 3.095 1.00 1.76 C ATOM 48 CD2 LEU A 23 6.518 -10.769 1.667 1.00 1.55 C ATOM 0 H LEU A 23 4.995 -10.286 -1.023 1.00 0.51 H new ATOM 0 HA LEU A 23 3.486 -8.876 1.083 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.352 -8.662 0.132 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.606 -7.503 1.215 1.00 0.58 H new ATOM 0 HG LEU A 23 6.821 -8.897 2.620 1.00 1.05 H new ATOM 0 HD11 LEU A 23 5.177 -10.168 3.938 1.00 1.76 H new ATOM 0 HD12 LEU A 23 4.561 -8.569 3.455 1.00 1.76 H new ATOM 0 HD13 LEU A 23 4.012 -10.030 2.600 1.00 1.76 H new ATOM 0 HD21 LEU A 23 6.801 -11.354 2.542 1.00 1.55 H new ATOM 0 HD22 LEU A 23 5.735 -11.292 1.119 1.00 1.55 H new ATOM 0 HD23 LEU A 23 7.387 -10.637 1.022 1.00 1.55 H new ATOM 60 N VAL A 24 2.628 -7.316 -0.692 1.00 0.35 N ATOM 61 CA VAL A 24 2.149 -6.341 -1.655 1.00 0.37 C ATOM 62 C VAL A 24 2.150 -4.941 -1.060 1.00 0.38 C ATOM 63 O VAL A 24 1.434 -4.664 -0.094 1.00 0.42 O ATOM 64 CB VAL A 24 0.724 -6.683 -2.136 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.297 -5.754 -3.261 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.633 -8.138 -2.570 1.00 0.45 C ATOM 0 H VAL A 24 1.929 -7.622 -0.016 1.00 0.35 H new ATOM 0 HA VAL A 24 2.829 -6.372 -2.506 1.00 0.37 H new ATOM 0 HB VAL A 24 0.040 -6.538 -1.300 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.711 -6.014 -3.584 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.310 -4.723 -2.907 1.00 0.46 H new ATOM 0 HG13 VAL A 24 0.985 -5.858 -4.100 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.381 -8.355 -2.905 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.331 -8.318 -3.387 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.884 -8.785 -1.729 1.00 0.45 H new ATOM 76 N VAL A 25 2.960 -4.063 -1.629 1.00 0.39 N ATOM 77 CA VAL A 25 3.001 -2.680 -1.195 1.00 0.41 C ATOM 78 C VAL A 25 2.396 -1.791 -2.270 1.00 0.39 C ATOM 79 O VAL A 25 2.913 -1.701 -3.382 1.00 0.42 O ATOM 80 CB VAL A 25 4.439 -2.204 -0.892 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.416 -0.854 -0.191 1.00 0.51 C ATOM 82 CG2 VAL A 25 5.186 -3.233 -0.053 1.00 0.52 C ATOM 0 H VAL A 25 3.598 -4.286 -2.393 1.00 0.39 H new ATOM 0 HA VAL A 25 2.426 -2.611 -0.272 1.00 0.41 H new ATOM 0 HB VAL A 25 4.968 -2.092 -1.838 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.437 -0.534 0.015 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.928 -0.120 -0.832 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.867 -0.940 0.747 1.00 0.51 H new ATOM 0 HG21 VAL A 25 6.196 -2.875 0.147 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.661 -3.384 0.890 1.00 0.52 H new ATOM 0 HG23 VAL A 25 5.236 -4.177 -0.595 1.00 0.52 H new ATOM 92 N LEU A 26 1.290 -1.157 -1.946 1.00 0.40 N ATOM 93 CA LEU A 26 0.613 -0.284 -2.887 1.00 0.38 C ATOM 94 C LEU A 26 0.681 1.150 -2.397 1.00 0.37 C ATOM 95 O LEU A 26 0.306 1.445 -1.267 1.00 0.48 O ATOM 96 CB LEU A 26 -0.834 -0.742 -3.081 1.00 0.46 C ATOM 97 CG LEU A 26 -0.983 -2.026 -3.905 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.323 -2.689 -3.650 1.00 1.15 C ATOM 99 CD2 LEU A 26 -0.837 -1.720 -5.383 1.00 1.33 C ATOM 0 H LEU A 26 0.837 -1.229 -1.035 1.00 0.40 H new ATOM 0 HA LEU A 26 1.111 -0.335 -3.855 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.288 -0.897 -2.102 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.393 0.056 -3.569 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.195 -2.714 -3.598 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.399 -3.597 -4.248 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.408 -2.942 -2.593 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.126 -2.005 -3.925 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -0.945 -2.640 -5.957 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.608 -1.011 -5.686 1.00 1.33 H new ATOM 0 HD23 LEU A 26 0.146 -1.289 -5.570 1.00 1.33 H new ATOM 111 N ILE A 27 1.179 2.038 -3.236 1.00 0.33 N ATOM 112 CA ILE A 27 1.402 3.414 -2.822 1.00 0.36 C ATOM 113 C ILE A 27 0.519 4.377 -3.609 1.00 0.39 C ATOM 114 O ILE A 27 0.445 4.306 -4.835 1.00 0.40 O ATOM 115 CB ILE A 27 2.893 3.810 -2.964 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.103 5.280 -2.589 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.396 3.538 -4.376 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.547 5.727 -2.663 1.00 1.36 C ATOM 0 H ILE A 27 1.436 1.836 -4.202 1.00 0.33 H new ATOM 0 HA ILE A 27 1.130 3.484 -1.769 1.00 0.36 H new ATOM 0 HB ILE A 27 3.472 3.196 -2.274 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.504 5.904 -3.253 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.733 5.444 -1.577 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.445 3.824 -4.450 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.293 2.476 -4.601 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.810 4.118 -5.089 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.617 6.778 -2.384 1.00 1.36 H new ATOM 0 HD12 ILE A 27 5.149 5.129 -1.979 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.917 5.596 -3.680 1.00 1.36 H new ATOM 130 N VAL A 28 -0.165 5.256 -2.891 1.00 0.48 N ATOM 131 CA VAL A 28 -1.007 6.264 -3.513 1.00 0.56 C ATOM 132 C VAL A 28 -0.368 7.633 -3.358 1.00 0.86 C ATOM 133 O VAL A 28 -0.490 8.273 -2.308 1.00 1.37 O ATOM 134 CB VAL A 28 -2.413 6.296 -2.880 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.324 7.261 -3.622 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.014 4.905 -2.849 1.00 1.17 C ATOM 0 H VAL A 28 -0.152 5.290 -1.872 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.106 6.008 -4.568 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.315 6.651 -1.854 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.309 7.264 -3.155 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.901 8.265 -3.582 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.417 6.947 -4.662 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.006 4.947 -2.399 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.093 4.520 -3.866 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.376 4.246 -2.260 1.00 1.17 H new ATOM 146 N SER A 29 0.325 8.066 -4.396 1.00 0.85 N ATOM 147 CA SER A 29 1.008 9.343 -4.381 1.00 1.25 C ATOM 148 C SER A 29 1.547 9.649 -5.763 1.00 0.83 C ATOM 149 O SER A 29 1.889 8.733 -6.511 1.00 1.53 O ATOM 150 CB SER A 29 2.168 9.307 -3.381 1.00 2.38 C ATOM 151 OG SER A 29 2.772 10.583 -3.237 1.00 3.23 O ATOM 0 H SER A 29 0.429 7.545 -5.267 1.00 0.85 H new ATOM 0 HA SER A 29 0.301 10.118 -4.084 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.804 8.965 -2.412 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.914 8.586 -3.714 1.00 2.38 H new ATOM 0 HG SER A 29 3.666 10.569 -3.638 1.00 3.23 H new ATOM 157 N ASN A 30 1.624 10.919 -6.114 1.00 1.19 N ATOM 158 CA ASN A 30 2.388 11.293 -7.284 1.00 1.67 C ATOM 159 C ASN A 30 3.563 12.160 -6.856 1.00 1.19 C ATOM 160 O ASN A 30 3.562 13.383 -6.993 1.00 1.38 O ATOM 161 CB ASN A 30 1.497 12.014 -8.311 1.00 2.93 C ATOM 162 CG ASN A 30 0.607 13.087 -7.700 1.00 3.86 C ATOM 163 OD1 ASN A 30 -0.502 12.806 -7.237 1.00 4.32 O ATOM 164 ND2 ASN A 30 1.072 14.324 -7.705 1.00 4.58 N ATOM 0 H ASN A 30 1.178 11.691 -5.618 1.00 1.19 H new ATOM 0 HA ASN A 30 2.773 10.397 -7.770 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.130 12.469 -9.072 1.00 2.93 H new ATOM 0 HB3 ASN A 30 0.871 11.278 -8.816 1.00 2.93 H new ATOM 0 HD21 ASN A 30 0.510 15.082 -7.318 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.993 14.521 -8.096 1.00 4.58 H new ATOM 171 N ASP A 31 4.571 11.486 -6.328 1.00 1.45 N ATOM 172 CA ASP A 31 5.859 12.084 -6.029 1.00 1.18 C ATOM 173 C ASP A 31 6.937 11.228 -6.665 1.00 0.94 C ATOM 174 O ASP A 31 7.169 10.101 -6.226 1.00 1.28 O ATOM 175 CB ASP A 31 6.074 12.185 -4.517 1.00 1.61 C ATOM 176 CG ASP A 31 7.347 12.928 -4.162 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.443 12.332 -4.244 1.00 2.03 O ATOM 178 OD2 ASP A 31 7.258 14.123 -3.806 1.00 2.29 O ATOM 0 H ASP A 31 4.516 10.495 -6.092 1.00 1.45 H new ATOM 0 HA ASP A 31 5.899 13.096 -6.432 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.222 12.693 -4.065 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.111 11.183 -4.090 1.00 1.61 H new ATOM 183 N LYS A 32 7.583 11.752 -7.696 1.00 0.79 N ATOM 184 CA LYS A 32 8.507 10.962 -8.501 1.00 0.82 C ATOM 185 C LYS A 32 9.623 10.331 -7.675 1.00 0.66 C ATOM 186 O LYS A 32 10.086 9.242 -8.003 1.00 0.68 O ATOM 187 CB LYS A 32 9.105 11.799 -9.630 1.00 1.24 C ATOM 188 CG LYS A 32 9.775 13.084 -9.176 1.00 1.77 C ATOM 189 CD LYS A 32 10.399 13.819 -10.349 1.00 2.22 C ATOM 190 CE LYS A 32 11.007 15.141 -9.922 1.00 3.17 C ATOM 191 NZ LYS A 32 11.695 15.822 -11.048 1.00 3.77 N ATOM 0 H LYS A 32 7.485 12.722 -7.996 1.00 0.79 H new ATOM 0 HA LYS A 32 7.919 10.149 -8.927 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.836 11.193 -10.166 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.315 12.047 -10.339 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.042 13.727 -8.688 1.00 1.77 H new ATOM 0 HG3 LYS A 32 10.542 12.856 -8.436 1.00 1.77 H new ATOM 0 HD2 LYS A 32 11.168 13.194 -10.803 1.00 2.22 H new ATOM 0 HD3 LYS A 32 9.641 13.996 -11.112 1.00 2.22 H new ATOM 0 HE2 LYS A 32 10.225 15.790 -9.528 1.00 3.17 H new ATOM 0 HE3 LYS A 32 11.717 14.970 -9.113 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 12.097 16.722 -10.716 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 12.458 15.214 -11.408 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 11.012 16.008 -11.810 1.00 3.77 H new ATOM 205 N LYS A 33 10.048 10.997 -6.609 1.00 0.71 N ATOM 206 CA LYS A 33 11.111 10.460 -5.772 1.00 0.75 C ATOM 207 C LYS A 33 10.574 9.400 -4.820 1.00 0.68 C ATOM 208 O LYS A 33 11.115 8.301 -4.748 1.00 0.78 O ATOM 209 CB LYS A 33 11.812 11.566 -4.982 1.00 0.95 C ATOM 210 CG LYS A 33 12.638 12.516 -5.840 1.00 1.45 C ATOM 211 CD LYS A 33 13.694 11.783 -6.664 1.00 1.86 C ATOM 212 CE LYS A 33 14.645 10.967 -5.796 1.00 2.71 C ATOM 213 NZ LYS A 33 15.380 11.807 -4.812 1.00 3.23 N ATOM 0 H LYS A 33 9.678 11.898 -6.307 1.00 0.71 H new ATOM 0 HA LYS A 33 11.842 9.997 -6.435 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.062 12.142 -4.440 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.462 11.109 -4.236 1.00 0.95 H new ATOM 0 HG2 LYS A 33 11.976 13.067 -6.509 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.126 13.250 -5.199 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.201 11.123 -7.377 1.00 1.86 H new ATOM 0 HD3 LYS A 33 14.266 12.508 -7.243 1.00 1.86 H new ATOM 0 HE2 LYS A 33 14.080 10.201 -5.265 1.00 2.71 H new ATOM 0 HE3 LYS A 33 15.361 10.450 -6.434 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 16.074 11.221 -4.305 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 15.874 12.574 -5.311 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.707 12.213 -4.131 1.00 3.23 H new ATOM 227 N LEU A 34 9.502 9.727 -4.104 1.00 0.61 N ATOM 228 CA LEU A 34 8.894 8.792 -3.158 1.00 0.64 C ATOM 229 C LEU A 34 8.530 7.483 -3.848 1.00 0.53 C ATOM 230 O LEU A 34 8.780 6.401 -3.316 1.00 0.62 O ATOM 231 CB LEU A 34 7.640 9.406 -2.530 1.00 0.70 C ATOM 232 CG LEU A 34 6.779 8.444 -1.704 1.00 0.82 C ATOM 233 CD1 LEU A 34 7.496 8.006 -0.441 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.447 9.083 -1.362 1.00 1.38 C ATOM 0 H LEU A 34 9.035 10.632 -4.160 1.00 0.61 H new ATOM 0 HA LEU A 34 9.624 8.586 -2.375 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.943 10.235 -1.891 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.024 9.826 -3.326 1.00 0.70 H new ATOM 0 HG LEU A 34 6.597 7.557 -2.310 1.00 0.82 H new ATOM 0 HD11 LEU A 34 6.858 7.325 0.122 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.424 7.499 -0.706 1.00 1.39 H new ATOM 0 HD13 LEU A 34 7.722 8.879 0.170 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.849 8.386 -0.775 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.617 9.991 -0.784 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.916 9.332 -2.281 1.00 1.38 H new ATOM 246 N ILE A 35 7.952 7.596 -5.038 1.00 0.43 N ATOM 247 CA ILE A 35 7.525 6.433 -5.802 1.00 0.43 C ATOM 248 C ILE A 35 8.690 5.480 -6.061 1.00 0.46 C ATOM 249 O ILE A 35 8.603 4.288 -5.757 1.00 0.52 O ATOM 250 CB ILE A 35 6.880 6.850 -7.143 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.565 7.590 -6.879 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.642 5.636 -8.032 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.924 8.161 -8.126 1.00 0.97 C ATOM 0 H ILE A 35 7.768 8.489 -5.496 1.00 0.43 H new ATOM 0 HA ILE A 35 6.778 5.913 -5.203 1.00 0.43 H new ATOM 0 HB ILE A 35 7.564 7.518 -7.666 1.00 0.47 H new ATOM 0 HG12 ILE A 35 4.863 6.906 -6.402 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.750 8.400 -6.173 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.187 5.955 -8.970 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.593 5.144 -8.238 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.975 4.939 -7.525 1.00 0.61 H new ATOM 0 HD11 ILE A 35 3.998 8.670 -7.859 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.606 8.871 -8.593 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.706 7.354 -8.825 1.00 0.97 H new ATOM 265 N GLU A 36 9.788 6.001 -6.600 1.00 0.51 N ATOM 266 CA GLU A 36 10.926 5.150 -6.913 1.00 0.62 C ATOM 267 C GLU A 36 11.671 4.727 -5.659 1.00 0.63 C ATOM 268 O GLU A 36 12.087 3.584 -5.561 1.00 0.64 O ATOM 269 CB GLU A 36 11.889 5.812 -7.893 1.00 0.79 C ATOM 270 CG GLU A 36 12.342 7.206 -7.495 1.00 0.87 C ATOM 271 CD GLU A 36 13.343 7.784 -8.471 1.00 1.64 C ATOM 272 OE1 GLU A 36 12.925 8.450 -9.439 1.00 2.22 O ATOM 273 OE2 GLU A 36 14.557 7.561 -8.284 1.00 2.42 O ATOM 0 H GLU A 36 9.912 6.988 -6.825 1.00 0.51 H new ATOM 0 HA GLU A 36 10.517 4.260 -7.392 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.768 5.177 -8.003 1.00 0.79 H new ATOM 0 HB3 GLU A 36 11.411 5.866 -8.871 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.475 7.864 -7.434 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.786 7.171 -6.500 1.00 0.87 H new ATOM 280 N GLU A 37 11.833 5.635 -4.701 1.00 0.68 N ATOM 281 CA GLU A 37 12.559 5.318 -3.476 1.00 0.77 C ATOM 282 C GLU A 37 11.908 4.153 -2.744 1.00 0.71 C ATOM 283 O GLU A 37 12.592 3.229 -2.298 1.00 0.79 O ATOM 284 CB GLU A 37 12.644 6.532 -2.547 1.00 0.91 C ATOM 285 CG GLU A 37 13.625 7.593 -3.015 1.00 1.41 C ATOM 286 CD GLU A 37 15.028 7.048 -3.180 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.567 6.476 -2.210 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.597 7.190 -4.280 1.00 2.53 O ATOM 0 H GLU A 37 11.474 6.589 -4.748 1.00 0.68 H new ATOM 0 HA GLU A 37 13.571 5.033 -3.764 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.654 6.980 -2.457 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.933 6.196 -1.551 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.284 8.006 -3.965 1.00 1.41 H new ATOM 0 HG3 GLU A 37 13.639 8.413 -2.297 1.00 1.41 H new ATOM 295 N ALA A 38 10.587 4.193 -2.639 1.00 0.61 N ATOM 296 CA ALA A 38 9.846 3.133 -1.975 1.00 0.60 C ATOM 297 C ALA A 38 9.895 1.845 -2.788 1.00 0.54 C ATOM 298 O ALA A 38 9.939 0.753 -2.223 1.00 0.59 O ATOM 299 CB ALA A 38 8.406 3.565 -1.730 1.00 0.60 C ATOM 0 H ALA A 38 10.008 4.948 -3.005 1.00 0.61 H new ATOM 0 HA ALA A 38 10.315 2.938 -1.011 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.864 2.761 -1.232 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.395 4.454 -1.100 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.927 3.790 -2.683 1.00 0.60 H new ATOM 305 N ARG A 39 9.901 1.960 -4.111 1.00 0.49 N ATOM 306 CA ARG A 39 10.029 0.778 -4.950 1.00 0.53 C ATOM 307 C ARG A 39 11.423 0.182 -4.813 1.00 0.56 C ATOM 308 O ARG A 39 11.566 -1.025 -4.652 1.00 0.59 O ATOM 309 CB ARG A 39 9.748 1.075 -6.422 1.00 0.60 C ATOM 310 CG ARG A 39 9.884 -0.170 -7.285 1.00 0.88 C ATOM 311 CD ARG A 39 9.700 0.113 -8.763 1.00 0.95 C ATOM 312 NE ARG A 39 9.919 -1.094 -9.559 1.00 1.37 N ATOM 313 CZ ARG A 39 9.680 -1.189 -10.862 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.188 -0.158 -11.534 1.00 2.23 N ATOM 315 NH2 ARG A 39 9.931 -2.327 -11.489 1.00 2.73 N ATOM 0 H ARG A 39 9.820 2.842 -4.617 1.00 0.49 H new ATOM 0 HA ARG A 39 9.281 0.064 -4.605 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.742 1.481 -6.525 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.438 1.840 -6.777 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.868 -0.611 -7.125 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.148 -0.908 -6.967 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.694 0.493 -8.942 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.395 0.891 -9.077 1.00 0.95 H new ATOM 0 HE ARG A 39 10.280 -1.919 -9.081 1.00 1.37 H new ATOM 0 HH11 ARG A 39 8.990 0.718 -11.051 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.008 -0.241 -12.535 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.305 -3.123 -10.972 1.00 2.73 H new ATOM 0 HH22 ARG A 39 9.750 -2.409 -12.490 1.00 2.73 H new ATOM 329 N LYS A 40 12.441 1.037 -4.879 1.00 0.59 N ATOM 330 CA LYS A 40 13.833 0.608 -4.729 1.00 0.67 C ATOM 331 C LYS A 40 14.008 -0.277 -3.504 1.00 0.65 C ATOM 332 O LYS A 40 14.562 -1.368 -3.592 1.00 0.71 O ATOM 333 CB LYS A 40 14.755 1.824 -4.603 1.00 0.78 C ATOM 334 CG LYS A 40 14.885 2.632 -5.880 1.00 0.83 C ATOM 335 CD LYS A 40 15.673 3.912 -5.655 1.00 1.29 C ATOM 336 CE LYS A 40 15.525 4.854 -6.835 1.00 1.82 C ATOM 337 NZ LYS A 40 16.219 6.150 -6.616 1.00 2.52 N ATOM 0 H LYS A 40 12.328 2.038 -5.036 1.00 0.59 H new ATOM 0 HA LYS A 40 14.097 0.036 -5.618 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.379 2.472 -3.811 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.745 1.487 -4.296 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.378 2.030 -6.643 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.893 2.877 -6.259 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.324 4.403 -4.747 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.726 3.674 -5.505 1.00 1.29 H new ATOM 0 HE2 LYS A 40 15.926 4.377 -7.730 1.00 1.82 H new ATOM 0 HE3 LYS A 40 14.467 5.038 -7.019 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 15.740 6.896 -7.159 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 16.197 6.389 -5.604 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.207 6.072 -6.932 1.00 2.52 H new ATOM 351 N MET A 41 13.514 0.194 -2.370 1.00 0.64 N ATOM 352 CA MET A 41 13.661 -0.533 -1.117 1.00 0.68 C ATOM 353 C MET A 41 12.788 -1.791 -1.084 1.00 0.63 C ATOM 354 O MET A 41 13.234 -2.849 -0.638 1.00 0.67 O ATOM 355 CB MET A 41 13.340 0.381 0.072 1.00 0.82 C ATOM 356 CG MET A 41 11.996 1.071 -0.016 1.00 0.99 C ATOM 357 SD MET A 41 11.585 1.975 1.487 1.00 1.64 S ATOM 358 CE MET A 41 11.727 0.669 2.706 1.00 2.61 C ATOM 0 H MET A 41 13.008 1.076 -2.290 1.00 0.64 H new ATOM 0 HA MET A 41 14.699 -0.856 -1.042 1.00 0.68 H new ATOM 0 HB2 MET A 41 13.373 -0.209 0.988 1.00 0.82 H new ATOM 0 HB3 MET A 41 14.119 1.139 0.153 1.00 0.82 H new ATOM 0 HG2 MET A 41 11.999 1.760 -0.861 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.222 0.329 -0.213 1.00 0.99 H new ATOM 0 HE1 MET A 41 11.093 0.900 3.562 1.00 2.61 H new ATOM 0 HE2 MET A 41 11.411 -0.276 2.265 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.763 0.588 3.034 1.00 2.61 H new ATOM 368 N ALA A 42 11.558 -1.685 -1.578 1.00 0.60 N ATOM 369 CA ALA A 42 10.623 -2.805 -1.541 1.00 0.64 C ATOM 370 C ALA A 42 11.036 -3.907 -2.510 1.00 0.61 C ATOM 371 O ALA A 42 11.091 -5.080 -2.146 1.00 0.66 O ATOM 372 CB ALA A 42 9.213 -2.329 -1.856 1.00 0.75 C ATOM 0 H ALA A 42 11.186 -0.838 -2.007 1.00 0.60 H new ATOM 0 HA ALA A 42 10.641 -3.220 -0.533 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.528 -3.176 -1.824 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.907 -1.586 -1.119 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.193 -1.883 -2.850 1.00 0.75 H new ATOM 378 N GLU A 43 11.343 -3.521 -3.739 1.00 0.62 N ATOM 379 CA GLU A 43 11.701 -4.474 -4.778 1.00 0.75 C ATOM 380 C GLU A 43 13.061 -5.101 -4.477 1.00 0.71 C ATOM 381 O GLU A 43 13.345 -6.227 -4.888 1.00 0.79 O ATOM 382 CB GLU A 43 11.707 -3.770 -6.138 1.00 0.93 C ATOM 383 CG GLU A 43 11.809 -4.706 -7.330 1.00 1.33 C ATOM 384 CD GLU A 43 11.644 -3.971 -8.643 1.00 1.88 C ATOM 385 OE1 GLU A 43 12.635 -3.389 -9.132 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.518 -3.956 -9.187 1.00 2.57 O ATOM 0 H GLU A 43 11.351 -2.547 -4.042 1.00 0.62 H new ATOM 0 HA GLU A 43 10.963 -5.276 -4.804 1.00 0.75 H new ATOM 0 HB2 GLU A 43 10.795 -3.180 -6.232 1.00 0.93 H new ATOM 0 HB3 GLU A 43 12.543 -3.071 -6.168 1.00 0.93 H new ATOM 0 HG2 GLU A 43 12.776 -5.209 -7.315 1.00 1.33 H new ATOM 0 HG3 GLU A 43 11.046 -5.480 -7.249 1.00 1.33 H new ATOM 393 N LYS A 44 13.893 -4.373 -3.739 1.00 0.68 N ATOM 394 CA LYS A 44 15.178 -4.898 -3.294 1.00 0.77 C ATOM 395 C LYS A 44 14.957 -5.987 -2.249 1.00 0.69 C ATOM 396 O LYS A 44 15.697 -6.969 -2.193 1.00 0.80 O ATOM 397 CB LYS A 44 16.043 -3.777 -2.712 1.00 0.92 C ATOM 398 CG LYS A 44 17.467 -4.195 -2.386 1.00 1.42 C ATOM 399 CD LYS A 44 18.261 -3.038 -1.798 1.00 1.99 C ATOM 400 CE LYS A 44 19.699 -3.433 -1.505 1.00 2.49 C ATOM 401 NZ LYS A 44 20.454 -3.766 -2.742 1.00 2.98 N ATOM 0 H LYS A 44 13.700 -3.418 -3.437 1.00 0.68 H new ATOM 0 HA LYS A 44 15.698 -5.325 -4.151 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.072 -2.950 -3.422 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.570 -3.402 -1.805 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.452 -5.025 -1.680 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.959 -4.554 -3.290 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.249 -2.198 -2.493 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.783 -2.698 -0.879 1.00 1.99 H new ATOM 0 HE2 LYS A 44 20.199 -2.616 -0.985 1.00 2.49 H new ATOM 0 HE3 LYS A 44 19.708 -4.292 -0.834 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 21.467 -3.847 -2.519 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 20.110 -4.669 -3.126 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 20.314 -3.015 -3.447 1.00 2.98 H new ATOM 415 N ALA A 45 13.915 -5.817 -1.442 1.00 0.61 N ATOM 416 CA ALA A 45 13.553 -6.798 -0.426 1.00 0.64 C ATOM 417 C ALA A 45 12.650 -7.882 -1.015 1.00 0.60 C ATOM 418 O ALA A 45 12.087 -8.698 -0.286 1.00 0.71 O ATOM 419 CB ALA A 45 12.870 -6.114 0.750 1.00 0.76 C ATOM 0 H ALA A 45 13.302 -5.002 -1.473 1.00 0.61 H new ATOM 0 HA ALA A 45 14.466 -7.275 -0.069 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.605 -6.859 1.501 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.548 -5.382 1.189 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.967 -5.611 0.404 1.00 0.76 H new ATOM 425 N ASN A 46 12.520 -7.864 -2.343 1.00 0.56 N ATOM 426 CA ASN A 46 11.749 -8.865 -3.086 1.00 0.65 C ATOM 427 C ASN A 46 10.251 -8.745 -2.789 1.00 0.62 C ATOM 428 O ASN A 46 9.517 -9.735 -2.777 1.00 0.80 O ATOM 429 CB ASN A 46 12.258 -10.285 -2.779 1.00 0.83 C ATOM 430 CG ASN A 46 11.661 -11.354 -3.685 1.00 1.46 C ATOM 431 OD1 ASN A 46 11.447 -11.025 -4.952 1.00 2.11 O flip ATOM 432 ND2 ASN A 46 11.413 -12.480 -3.251 1.00 2.22 N flip ATOM 0 H ASN A 46 12.948 -7.153 -2.936 1.00 0.56 H new ATOM 0 HA ASN A 46 11.892 -8.675 -4.150 1.00 0.65 H new ATOM 0 HB2 ASN A 46 13.343 -10.302 -2.877 1.00 0.83 H new ATOM 0 HB3 ASN A 46 12.027 -10.529 -1.742 1.00 0.83 H new ATOM 0 HD21 ASN A 46 11.590 -12.699 -2.271 1.00 2.22 H new ATOM 0 HD22 ASN A 46 11.031 -13.193 -3.872 1.00 2.22 H new ATOM 439 N LEU A 47 9.796 -7.526 -2.547 1.00 0.48 N ATOM 440 CA LEU A 47 8.373 -7.269 -2.381 1.00 0.48 C ATOM 441 C LEU A 47 7.799 -6.804 -3.711 1.00 0.45 C ATOM 442 O LEU A 47 8.552 -6.456 -4.625 1.00 0.53 O ATOM 443 CB LEU A 47 8.121 -6.188 -1.323 1.00 0.51 C ATOM 444 CG LEU A 47 8.985 -6.256 -0.060 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.551 -5.181 0.918 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.914 -7.629 0.592 1.00 1.11 C ATOM 0 H LEU A 47 10.389 -6.700 -2.461 1.00 0.48 H new ATOM 0 HA LEU A 47 7.892 -8.190 -2.052 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.272 -5.214 -1.788 1.00 0.51 H new ATOM 0 HB3 LEU A 47 7.074 -6.240 -1.024 1.00 0.51 H new ATOM 0 HG LEU A 47 10.022 -6.083 -0.348 1.00 0.58 H new ATOM 0 HD11 LEU A 47 9.169 -5.234 1.814 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.666 -4.201 0.456 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.506 -5.335 1.188 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.539 -7.641 1.485 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.883 -7.848 0.868 1.00 1.11 H new ATOM 0 HD23 LEU A 47 9.270 -8.384 -0.109 1.00 1.11 H new ATOM 458 N GLU A 48 6.482 -6.793 -3.832 1.00 0.43 N ATOM 459 CA GLU A 48 5.857 -6.275 -5.034 1.00 0.47 C ATOM 460 C GLU A 48 5.181 -4.945 -4.738 1.00 0.45 C ATOM 461 O GLU A 48 4.126 -4.883 -4.104 1.00 0.49 O ATOM 462 CB GLU A 48 4.876 -7.291 -5.641 1.00 0.58 C ATOM 463 CG GLU A 48 3.738 -7.715 -4.727 1.00 0.80 C ATOM 464 CD GLU A 48 2.955 -8.874 -5.302 1.00 1.27 C ATOM 465 OE1 GLU A 48 3.170 -10.023 -4.857 1.00 2.13 O ATOM 466 OE2 GLU A 48 2.139 -8.650 -6.221 1.00 1.74 O ATOM 0 H GLU A 48 5.833 -7.132 -3.122 1.00 0.43 H new ATOM 0 HA GLU A 48 6.632 -6.104 -5.781 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.452 -6.864 -6.550 1.00 0.58 H new ATOM 0 HB3 GLU A 48 5.434 -8.179 -5.937 1.00 0.58 H new ATOM 0 HG2 GLU A 48 4.140 -7.996 -3.753 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.069 -6.870 -4.564 1.00 0.80 H new ATOM 473 N LEU A 49 5.824 -3.870 -5.160 1.00 0.46 N ATOM 474 CA LEU A 49 5.290 -2.543 -4.936 1.00 0.50 C ATOM 475 C LEU A 49 4.731 -1.986 -6.231 1.00 0.45 C ATOM 476 O LEU A 49 5.437 -1.873 -7.232 1.00 0.54 O ATOM 477 CB LEU A 49 6.359 -1.610 -4.357 1.00 0.67 C ATOM 478 CG LEU A 49 5.849 -0.234 -3.903 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.676 0.273 -2.739 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.892 0.773 -5.043 1.00 0.99 C ATOM 0 H LEU A 49 6.714 -3.892 -5.658 1.00 0.46 H new ATOM 0 HA LEU A 49 4.483 -2.612 -4.206 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.828 -2.105 -3.507 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.135 -1.462 -5.108 1.00 0.67 H new ATOM 0 HG LEU A 49 4.812 -0.349 -3.587 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.305 1.249 -2.427 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.601 -0.427 -1.907 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.718 0.362 -3.045 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.525 1.737 -4.691 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.918 0.882 -5.394 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.264 0.423 -5.862 1.00 0.99 H new ATOM 492 N ILE A 50 3.459 -1.652 -6.204 1.00 0.39 N ATOM 493 CA ILE A 50 2.792 -1.094 -7.363 1.00 0.43 C ATOM 494 C ILE A 50 2.307 0.312 -7.051 1.00 0.40 C ATOM 495 O ILE A 50 1.713 0.558 -5.998 1.00 0.37 O ATOM 496 CB ILE A 50 1.609 -1.977 -7.818 1.00 0.50 C ATOM 497 CG1 ILE A 50 2.124 -3.299 -8.397 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.742 -1.240 -8.833 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.027 -4.254 -8.812 1.00 1.31 C ATOM 0 H ILE A 50 2.861 -1.758 -5.385 1.00 0.39 H new ATOM 0 HA ILE A 50 3.511 -1.058 -8.181 1.00 0.43 H new ATOM 0 HB ILE A 50 0.990 -2.200 -6.949 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.753 -3.085 -9.261 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.756 -3.787 -7.656 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.085 -1.881 -9.139 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.347 -0.330 -8.382 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.343 -0.981 -9.705 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.470 -5.166 -9.212 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.411 -4.499 -7.947 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.408 -3.786 -9.577 1.00 1.31 H new ATOM 511 N THR A 51 2.586 1.235 -7.952 1.00 0.48 N ATOM 512 CA THR A 51 2.173 2.609 -7.775 1.00 0.52 C ATOM 513 C THR A 51 0.740 2.803 -8.255 1.00 0.56 C ATOM 514 O THR A 51 0.406 2.487 -9.398 1.00 0.66 O ATOM 515 CB THR A 51 3.113 3.562 -8.529 1.00 0.63 C ATOM 516 OG1 THR A 51 4.472 3.234 -8.210 1.00 1.19 O ATOM 517 CG2 THR A 51 2.835 5.008 -8.151 1.00 1.20 C ATOM 0 H THR A 51 3.099 1.055 -8.815 1.00 0.48 H new ATOM 0 HA THR A 51 2.222 2.841 -6.711 1.00 0.52 H new ATOM 0 HB THR A 51 2.943 3.448 -9.600 1.00 0.63 H new ATOM 0 HG1 THR A 51 5.049 3.453 -8.972 1.00 1.19 H new ATOM 0 HG21 THR A 51 3.513 5.664 -8.698 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.805 5.259 -8.404 1.00 1.20 H new ATOM 0 HG23 THR A 51 2.988 5.140 -7.080 1.00 1.20 H new ATOM 525 N VAL A 52 -0.101 3.302 -7.370 1.00 0.68 N ATOM 526 CA VAL A 52 -1.497 3.536 -7.683 1.00 0.78 C ATOM 527 C VAL A 52 -1.722 5.006 -8.007 1.00 0.85 C ATOM 528 O VAL A 52 -1.053 5.875 -7.443 1.00 1.66 O ATOM 529 CB VAL A 52 -2.408 3.136 -6.496 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.858 3.517 -6.761 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.288 1.647 -6.210 1.00 1.95 C ATOM 0 H VAL A 52 0.163 3.556 -6.418 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.752 2.923 -8.547 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.074 3.686 -5.616 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.473 3.223 -5.910 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.930 4.595 -6.906 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.211 3.006 -7.657 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.935 1.384 -5.373 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.588 1.082 -7.092 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.255 1.407 -5.959 1.00 1.95 H new ATOM 541 N PRO A 53 -2.637 5.303 -8.950 1.00 0.73 N ATOM 542 CA PRO A 53 -3.144 6.655 -9.155 1.00 0.90 C ATOM 543 C PRO A 53 -3.596 7.280 -7.835 1.00 0.88 C ATOM 544 O PRO A 53 -3.872 6.579 -6.862 1.00 1.64 O ATOM 545 CB PRO A 53 -4.339 6.469 -10.104 1.00 1.83 C ATOM 546 CG PRO A 53 -4.555 4.994 -10.202 1.00 2.29 C ATOM 547 CD PRO A 53 -3.228 4.360 -9.908 1.00 1.49 C ATOM 0 HA PRO A 53 -2.385 7.324 -9.560 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.227 6.969 -9.718 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.131 6.900 -11.083 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.312 4.663 -9.491 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -4.908 4.717 -11.195 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.339 3.363 -9.482 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.619 4.257 -10.806 1.00 1.49 H new ATOM 555 N GLY A 54 -3.692 8.593 -7.826 1.00 1.49 N ATOM 556 CA GLY A 54 -3.898 9.338 -6.596 1.00 2.14 C ATOM 557 C GLY A 54 -5.267 9.148 -5.965 1.00 1.80 C ATOM 558 O GLY A 54 -5.633 9.886 -5.052 1.00 2.08 O ATOM 0 H GLY A 54 -3.630 9.173 -8.663 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.136 9.042 -5.875 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.750 10.399 -6.800 1.00 2.14 H new ATOM 562 N SER A 55 -6.029 8.177 -6.441 1.00 1.36 N ATOM 563 CA SER A 55 -7.303 7.865 -5.828 1.00 0.97 C ATOM 564 C SER A 55 -7.128 6.708 -4.846 1.00 0.64 C ATOM 565 O SER A 55 -6.823 5.581 -5.246 1.00 0.50 O ATOM 566 CB SER A 55 -8.312 7.481 -6.908 1.00 1.19 C ATOM 567 OG SER A 55 -8.326 8.437 -7.956 1.00 1.75 O ATOM 0 H SER A 55 -5.787 7.597 -7.244 1.00 1.36 H new ATOM 0 HA SER A 55 -7.671 8.739 -5.291 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.063 6.499 -7.310 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.307 7.403 -6.470 1.00 1.19 H new ATOM 0 HG SER A 55 -8.979 8.168 -8.636 1.00 1.75 H new ATOM 573 N PRO A 56 -7.334 6.969 -3.545 1.00 0.66 N ATOM 574 CA PRO A 56 -7.242 5.942 -2.495 1.00 0.58 C ATOM 575 C PRO A 56 -8.251 4.817 -2.684 1.00 0.53 C ATOM 576 O PRO A 56 -7.996 3.672 -2.312 1.00 0.62 O ATOM 577 CB PRO A 56 -7.538 6.729 -1.214 1.00 0.70 C ATOM 578 CG PRO A 56 -7.149 8.119 -1.552 1.00 1.09 C ATOM 579 CD PRO A 56 -7.598 8.300 -2.971 1.00 0.87 C ATOM 0 HA PRO A 56 -6.273 5.443 -2.493 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.591 6.664 -0.940 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.964 6.348 -0.369 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -7.630 8.838 -0.889 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.073 8.265 -1.454 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.652 8.571 -3.035 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.037 9.083 -3.480 1.00 0.87 H new ATOM 587 N GLU A 57 -9.393 5.146 -3.273 1.00 0.62 N ATOM 588 CA GLU A 57 -10.435 4.158 -3.527 1.00 0.80 C ATOM 589 C GLU A 57 -9.962 3.110 -4.533 1.00 0.67 C ATOM 590 O GLU A 57 -10.262 1.925 -4.394 1.00 0.67 O ATOM 591 CB GLU A 57 -11.722 4.833 -4.018 1.00 1.14 C ATOM 592 CG GLU A 57 -11.542 5.734 -5.227 1.00 1.80 C ATOM 593 CD GLU A 57 -12.852 6.332 -5.697 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.434 5.809 -6.669 1.00 2.06 O ATOM 595 OE2 GLU A 57 -13.316 7.321 -5.088 1.00 2.70 O ATOM 0 H GLU A 57 -9.622 6.090 -3.584 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.652 3.653 -2.586 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.451 4.061 -4.262 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -12.142 5.421 -3.202 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -10.847 6.536 -4.979 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.093 5.163 -6.040 1.00 1.80 H new ATOM 602 N GLU A 58 -9.197 3.549 -5.526 1.00 0.61 N ATOM 603 CA GLU A 58 -8.687 2.651 -6.555 1.00 0.56 C ATOM 604 C GLU A 58 -7.649 1.704 -5.956 1.00 0.50 C ATOM 605 O GLU A 58 -7.585 0.527 -6.308 1.00 0.54 O ATOM 606 CB GLU A 58 -8.068 3.462 -7.701 1.00 0.62 C ATOM 607 CG GLU A 58 -7.655 2.622 -8.901 1.00 1.18 C ATOM 608 CD GLU A 58 -8.836 1.984 -9.602 1.00 1.57 C ATOM 609 OE1 GLU A 58 -9.356 0.969 -9.099 1.00 2.30 O ATOM 610 OE2 GLU A 58 -9.250 2.493 -10.665 1.00 2.01 O ATOM 0 H GLU A 58 -8.916 4.523 -5.640 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.513 2.060 -6.951 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.785 4.216 -8.027 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.194 3.994 -7.325 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -7.113 3.249 -9.609 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -6.967 1.842 -8.574 1.00 1.18 H new ATOM 617 N ALA A 59 -6.856 2.231 -5.029 1.00 0.52 N ATOM 618 CA ALA A 59 -5.794 1.468 -4.387 1.00 0.59 C ATOM 619 C ALA A 59 -6.329 0.258 -3.634 1.00 0.50 C ATOM 620 O ALA A 59 -5.813 -0.850 -3.779 1.00 0.50 O ATOM 621 CB ALA A 59 -5.022 2.358 -3.435 1.00 0.78 C ATOM 0 H ALA A 59 -6.931 3.195 -4.703 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.135 1.103 -5.175 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.230 1.781 -2.959 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.583 3.189 -3.988 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.697 2.746 -2.672 1.00 0.78 H new ATOM 627 N ILE A 60 -7.361 0.472 -2.828 1.00 0.51 N ATOM 628 CA ILE A 60 -7.915 -0.601 -2.011 1.00 0.52 C ATOM 629 C ILE A 60 -8.511 -1.683 -2.901 1.00 0.50 C ATOM 630 O ILE A 60 -8.385 -2.876 -2.626 1.00 0.52 O ATOM 631 CB ILE A 60 -9.005 -0.095 -1.044 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.579 1.212 -0.366 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.304 -1.159 0.003 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.281 1.112 0.403 1.00 1.03 C ATOM 0 H ILE A 60 -7.829 1.372 -2.722 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.094 -1.005 -1.419 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.908 0.105 -1.621 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.481 1.988 -1.125 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -9.369 1.530 0.314 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.075 -0.795 0.682 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.654 -2.066 -0.490 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.398 -1.379 0.567 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.049 2.077 0.853 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.379 0.361 1.187 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.477 0.825 -0.275 1.00 1.03 H new ATOM 646 N ARG A 61 -9.143 -1.251 -3.980 1.00 0.51 N ATOM 647 CA ARG A 61 -9.727 -2.169 -4.943 1.00 0.57 C ATOM 648 C ARG A 61 -8.629 -2.922 -5.691 1.00 0.55 C ATOM 649 O ARG A 61 -8.797 -4.083 -6.055 1.00 0.67 O ATOM 650 CB ARG A 61 -10.618 -1.405 -5.922 1.00 0.63 C ATOM 651 CG ARG A 61 -11.795 -0.709 -5.255 1.00 0.68 C ATOM 652 CD ARG A 61 -12.537 0.184 -6.234 1.00 0.85 C ATOM 653 NE ARG A 61 -13.579 0.978 -5.583 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.322 1.889 -6.214 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.154 2.099 -7.510 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.234 2.589 -5.551 1.00 3.35 N ATOM 0 H ARG A 61 -9.265 -0.265 -4.211 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.340 -2.896 -4.410 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.016 -0.662 -6.445 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.995 -2.098 -6.675 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.479 -1.455 -4.850 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.439 -0.113 -4.415 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -11.827 0.851 -6.723 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.986 -0.431 -7.014 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.747 0.826 -4.588 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.456 1.564 -8.027 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -14.722 2.796 -7.992 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.371 2.432 -4.552 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -15.798 3.284 -6.040 1.00 3.35 H new ATOM 670 N LEU A 62 -7.498 -2.254 -5.898 1.00 0.47 N ATOM 671 CA LEU A 62 -6.341 -2.866 -6.541 1.00 0.50 C ATOM 672 C LEU A 62 -5.785 -3.963 -5.633 1.00 0.43 C ATOM 673 O LEU A 62 -5.430 -5.051 -6.087 1.00 0.45 O ATOM 674 CB LEU A 62 -5.275 -1.792 -6.813 1.00 0.59 C ATOM 675 CG LEU A 62 -4.357 -2.020 -8.024 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.492 -3.255 -7.846 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.176 -2.125 -9.301 1.00 1.03 C ATOM 0 H LEU A 62 -7.358 -1.281 -5.627 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.633 -3.310 -7.492 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.782 -0.836 -6.946 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.650 -1.701 -5.925 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.693 -1.159 -8.101 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -2.857 -3.384 -8.722 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -2.869 -3.138 -6.960 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.129 -4.132 -7.728 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.510 -2.286 -10.148 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -5.870 -2.962 -9.220 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.736 -1.202 -9.451 1.00 1.03 H new ATOM 689 N ALA A 63 -5.732 -3.663 -4.340 1.00 0.41 N ATOM 690 CA ALA A 63 -5.301 -4.629 -3.338 1.00 0.42 C ATOM 691 C ALA A 63 -6.218 -5.842 -3.337 1.00 0.46 C ATOM 692 O ALA A 63 -5.761 -6.984 -3.256 1.00 0.49 O ATOM 693 CB ALA A 63 -5.283 -3.983 -1.963 1.00 0.49 C ATOM 0 H ALA A 63 -5.984 -2.751 -3.960 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.292 -4.959 -3.586 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.959 -4.714 -1.222 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.593 -3.140 -1.966 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.284 -3.632 -1.713 1.00 0.49 H new ATOM 699 N GLN A 64 -7.515 -5.577 -3.435 1.00 0.52 N ATOM 700 CA GLN A 64 -8.523 -6.627 -3.495 1.00 0.64 C ATOM 701 C GLN A 64 -8.269 -7.551 -4.686 1.00 0.62 C ATOM 702 O GLN A 64 -8.432 -8.768 -4.590 1.00 0.69 O ATOM 703 CB GLN A 64 -9.913 -5.998 -3.602 1.00 0.77 C ATOM 704 CG GLN A 64 -11.045 -7.005 -3.674 1.00 1.11 C ATOM 705 CD GLN A 64 -12.388 -6.342 -3.892 1.00 1.39 C ATOM 706 OE1 GLN A 64 -13.084 -5.995 -2.940 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.757 -6.154 -5.150 1.00 2.12 N ATOM 0 H GLN A 64 -7.896 -4.632 -3.475 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.466 -7.222 -2.584 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.073 -5.348 -2.741 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.947 -5.366 -4.489 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.853 -7.708 -4.485 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.073 -7.584 -2.751 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.149 -6.457 -5.911 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.649 -5.706 -5.358 1.00 2.12 H new ATOM 716 N GLU A 65 -7.867 -6.962 -5.806 1.00 0.58 N ATOM 717 CA GLU A 65 -7.553 -7.727 -7.004 1.00 0.63 C ATOM 718 C GLU A 65 -6.369 -8.656 -6.760 1.00 0.55 C ATOM 719 O GLU A 65 -6.483 -9.872 -6.907 1.00 0.62 O ATOM 720 CB GLU A 65 -7.254 -6.788 -8.173 1.00 0.69 C ATOM 721 CG GLU A 65 -8.442 -5.933 -8.585 1.00 1.24 C ATOM 722 CD GLU A 65 -9.586 -6.751 -9.148 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.664 -6.892 -10.387 1.00 2.21 O ATOM 724 OE2 GLU A 65 -10.419 -7.253 -8.360 1.00 1.95 O ATOM 0 H GLU A 65 -7.751 -5.954 -5.908 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.422 -8.336 -7.255 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -6.424 -6.136 -7.901 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.928 -7.379 -9.029 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -8.795 -5.369 -7.722 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.120 -5.206 -9.330 1.00 1.24 H new ATOM 731 N ILE A 66 -5.245 -8.078 -6.355 1.00 0.46 N ATOM 732 CA ILE A 66 -4.014 -8.836 -6.167 1.00 0.46 C ATOM 733 C ILE A 66 -4.184 -9.944 -5.130 1.00 0.43 C ATOM 734 O ILE A 66 -3.815 -11.095 -5.370 1.00 0.48 O ATOM 735 CB ILE A 66 -2.850 -7.919 -5.736 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.616 -6.829 -6.783 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.580 -8.732 -5.518 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.534 -5.843 -6.400 1.00 0.53 C ATOM 0 H ILE A 66 -5.160 -7.082 -6.150 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.780 -9.288 -7.131 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.117 -7.442 -4.793 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.350 -7.298 -7.730 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.548 -6.288 -6.946 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.771 -8.068 -5.215 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.752 -9.474 -4.738 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.307 -9.236 -6.445 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.423 -5.099 -7.189 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.807 -5.346 -5.469 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.591 -6.372 -6.265 1.00 0.53 H new ATOM 750 N ALA A 67 -4.765 -9.599 -3.991 1.00 0.44 N ATOM 751 CA ALA A 67 -4.834 -10.515 -2.861 1.00 0.51 C ATOM 752 C ALA A 67 -5.821 -11.660 -3.092 1.00 0.55 C ATOM 753 O ALA A 67 -5.549 -12.802 -2.710 1.00 0.63 O ATOM 754 CB ALA A 67 -5.182 -9.753 -1.596 1.00 0.60 C ATOM 0 H ALA A 67 -5.196 -8.690 -3.824 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.850 -10.970 -2.750 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.232 -10.446 -0.756 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.417 -9.001 -1.402 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.148 -9.264 -1.720 1.00 0.60 H new ATOM 760 N GLU A 68 -6.958 -11.371 -3.723 1.00 0.60 N ATOM 761 CA GLU A 68 -7.987 -12.391 -3.924 1.00 0.73 C ATOM 762 C GLU A 68 -7.557 -13.400 -4.987 1.00 0.73 C ATOM 763 O GLU A 68 -7.891 -14.583 -4.904 1.00 0.87 O ATOM 764 CB GLU A 68 -9.324 -11.765 -4.333 1.00 0.83 C ATOM 765 CG GLU A 68 -10.471 -12.768 -4.352 1.00 1.10 C ATOM 766 CD GLU A 68 -11.696 -12.264 -5.086 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.799 -12.508 -6.307 1.00 2.46 O ATOM 768 OE2 GLU A 68 -12.573 -11.643 -4.447 1.00 2.22 O ATOM 0 H GLU A 68 -7.189 -10.452 -4.100 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.116 -12.905 -2.971 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.567 -10.957 -3.643 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.222 -11.319 -5.322 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -10.129 -13.691 -4.821 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.746 -13.014 -3.326 1.00 1.10 H new ATOM 775 N LYS A 69 -6.816 -12.937 -5.985 1.00 0.65 N ATOM 776 CA LYS A 69 -6.403 -13.811 -7.076 1.00 0.71 C ATOM 777 C LYS A 69 -5.137 -14.573 -6.707 1.00 0.73 C ATOM 778 O LYS A 69 -4.770 -15.542 -7.370 1.00 0.92 O ATOM 779 CB LYS A 69 -6.174 -13.012 -8.364 1.00 0.73 C ATOM 780 CG LYS A 69 -7.333 -12.102 -8.753 1.00 0.77 C ATOM 781 CD LYS A 69 -8.668 -12.828 -8.732 1.00 1.29 C ATOM 782 CE LYS A 69 -9.804 -11.901 -9.131 1.00 1.73 C ATOM 783 NZ LYS A 69 -11.137 -12.519 -8.912 1.00 2.41 N ATOM 0 H LYS A 69 -6.492 -11.973 -6.062 1.00 0.65 H new ATOM 0 HA LYS A 69 -7.207 -14.526 -7.250 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.275 -12.406 -8.247 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.985 -13.709 -9.181 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.372 -11.254 -8.069 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.157 -11.699 -9.750 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.633 -13.679 -9.413 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.853 -13.226 -7.734 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -9.735 -10.977 -8.557 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -9.699 -11.632 -10.182 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -11.813 -12.143 -9.607 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -11.064 -13.550 -9.023 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -11.469 -12.297 -7.952 1.00 2.41 H new ATOM 797 N ALA A 70 -4.482 -14.143 -5.639 1.00 0.67 N ATOM 798 CA ALA A 70 -3.243 -14.764 -5.201 1.00 0.71 C ATOM 799 C ALA A 70 -3.515 -16.032 -4.407 1.00 0.69 C ATOM 800 O ALA A 70 -4.202 -15.997 -3.386 1.00 0.68 O ATOM 801 CB ALA A 70 -2.438 -13.797 -4.357 1.00 0.78 C ATOM 0 H ALA A 70 -4.790 -13.363 -5.058 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.671 -15.029 -6.090 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.513 -14.277 -4.037 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.202 -12.910 -4.945 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.019 -13.508 -3.481 1.00 0.78 H new ATOM 807 N PRO A 71 -2.983 -17.169 -4.867 1.00 0.84 N ATOM 808 CA PRO A 71 -3.120 -18.434 -4.155 1.00 0.90 C ATOM 809 C PRO A 71 -2.150 -18.533 -2.980 1.00 0.81 C ATOM 810 O PRO A 71 -0.938 -18.667 -3.161 1.00 0.93 O ATOM 811 CB PRO A 71 -2.786 -19.472 -5.225 1.00 1.19 C ATOM 812 CG PRO A 71 -1.856 -18.776 -6.161 1.00 1.34 C ATOM 813 CD PRO A 71 -2.220 -17.314 -6.122 1.00 1.08 C ATOM 0 HA PRO A 71 -4.110 -18.563 -3.717 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -2.318 -20.354 -4.787 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -3.685 -19.811 -5.741 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -0.819 -18.925 -5.859 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.954 -19.173 -7.171 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -1.332 -16.682 -6.125 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.818 -17.028 -6.988 1.00 1.08 H new ATOM 821 N GLY A 72 -2.687 -18.439 -1.776 1.00 0.75 N ATOM 822 CA GLY A 72 -1.873 -18.589 -0.588 1.00 0.77 C ATOM 823 C GLY A 72 -1.980 -17.391 0.333 1.00 0.63 C ATOM 824 O GLY A 72 -2.754 -16.470 0.063 1.00 0.62 O ATOM 0 H GLY A 72 -3.675 -18.261 -1.598 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.179 -19.487 -0.051 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.832 -18.730 -0.878 1.00 0.77 H new ATOM 828 N PRO A 73 -1.210 -17.377 1.433 1.00 0.61 N ATOM 829 CA PRO A 73 -1.227 -16.281 2.401 1.00 0.58 C ATOM 830 C PRO A 73 -0.604 -15.014 1.833 1.00 0.48 C ATOM 831 O PRO A 73 0.572 -14.993 1.460 1.00 0.54 O ATOM 832 CB PRO A 73 -0.387 -16.803 3.576 1.00 0.71 C ATOM 833 CG PRO A 73 -0.188 -18.259 3.313 1.00 0.90 C ATOM 834 CD PRO A 73 -0.262 -18.425 1.824 1.00 0.73 C ATOM 0 HA PRO A 73 -2.244 -16.011 2.685 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.568 -16.282 3.637 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.899 -16.643 4.525 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.775 -18.596 3.696 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -0.954 -18.853 3.810 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.711 -18.288 1.352 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.616 -19.417 1.544 1.00 0.73 H new ATOM 842 N VAL A 74 -1.397 -13.960 1.768 1.00 0.48 N ATOM 843 CA VAL A 74 -0.940 -12.689 1.236 1.00 0.46 C ATOM 844 C VAL A 74 -1.327 -11.565 2.184 1.00 0.44 C ATOM 845 O VAL A 74 -2.347 -11.648 2.866 1.00 0.56 O ATOM 846 CB VAL A 74 -1.540 -12.420 -0.167 1.00 0.62 C ATOM 847 CG1 VAL A 74 -1.071 -11.084 -0.729 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.189 -13.549 -1.122 1.00 1.31 C ATOM 0 H VAL A 74 -2.368 -13.960 2.080 1.00 0.48 H new ATOM 0 HA VAL A 74 0.145 -12.731 1.140 1.00 0.46 H new ATOM 0 HB VAL A 74 -2.624 -12.374 -0.060 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -1.512 -10.929 -1.714 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -1.381 -10.280 -0.062 1.00 1.50 H new ATOM 0 HG13 VAL A 74 0.016 -11.086 -0.814 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.619 -13.343 -2.102 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -0.105 -13.628 -1.210 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -1.591 -14.487 -0.740 1.00 1.31 H new ATOM 858 N LYS A 75 -0.493 -10.543 2.255 1.00 0.44 N ATOM 859 CA LYS A 75 -0.806 -9.358 3.029 1.00 0.52 C ATOM 860 C LYS A 75 -0.476 -8.121 2.210 1.00 0.42 C ATOM 861 O LYS A 75 0.529 -8.089 1.495 1.00 0.45 O ATOM 862 CB LYS A 75 -0.050 -9.352 4.366 1.00 0.76 C ATOM 863 CG LYS A 75 1.462 -9.439 4.226 1.00 1.20 C ATOM 864 CD LYS A 75 2.166 -9.323 5.574 1.00 1.52 C ATOM 865 CE LYS A 75 2.301 -10.667 6.279 1.00 1.90 C ATOM 866 NZ LYS A 75 0.988 -11.280 6.602 1.00 2.58 N ATOM 0 H LYS A 75 0.411 -10.511 1.783 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.871 -9.358 3.262 1.00 0.52 H new ATOM 0 HB2 LYS A 75 -0.302 -8.441 4.909 1.00 0.76 H new ATOM 0 HB3 LYS A 75 -0.397 -10.190 4.971 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.729 -10.386 3.757 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.811 -8.646 3.565 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.156 -8.892 5.427 1.00 1.52 H new ATOM 0 HD3 LYS A 75 1.611 -8.636 6.212 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.870 -11.349 5.647 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.871 -10.535 7.198 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 1.099 -11.940 7.398 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 0.311 -10.534 6.862 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 0.632 -11.796 5.772 1.00 2.58 H new ATOM 880 N VAL A 76 -1.333 -7.119 2.289 1.00 0.42 N ATOM 881 CA VAL A 76 -1.167 -5.917 1.492 1.00 0.39 C ATOM 882 C VAL A 76 -1.074 -4.690 2.386 1.00 0.38 C ATOM 883 O VAL A 76 -1.835 -4.550 3.343 1.00 0.50 O ATOM 884 CB VAL A 76 -2.336 -5.727 0.500 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.068 -4.553 -0.430 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.594 -6.999 -0.296 1.00 1.16 C ATOM 0 H VAL A 76 -2.152 -7.114 2.897 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.242 -6.033 0.927 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.233 -5.507 1.078 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.904 -4.437 -1.120 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.954 -3.642 0.158 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.154 -4.737 -0.995 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.422 -6.835 -0.986 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.699 -7.263 -0.860 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.846 -7.811 0.387 1.00 1.16 H new ATOM 896 N LEU A 77 -0.148 -3.805 2.060 1.00 0.35 N ATOM 897 CA LEU A 77 0.034 -2.573 2.800 1.00 0.41 C ATOM 898 C LEU A 77 -0.075 -1.415 1.838 1.00 0.39 C ATOM 899 O LEU A 77 0.792 -1.220 0.983 1.00 0.43 O ATOM 900 CB LEU A 77 1.394 -2.541 3.509 1.00 0.54 C ATOM 901 CG LEU A 77 1.736 -1.216 4.203 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.744 -0.914 5.317 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.155 -1.253 4.749 1.00 1.35 C ATOM 0 H LEU A 77 0.496 -3.921 1.277 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.737 -2.503 3.568 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.418 -3.339 4.251 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.172 -2.762 2.779 1.00 0.54 H new ATOM 0 HG LEU A 77 1.668 -0.418 3.464 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.008 0.030 5.793 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.260 -0.842 4.900 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.773 -1.714 6.057 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.381 -0.306 5.238 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.246 -2.065 5.471 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.856 -1.415 3.930 1.00 1.35 H new ATOM 915 N VAL A 78 -1.150 -0.670 1.946 1.00 0.37 N ATOM 916 CA VAL A 78 -1.362 0.437 1.052 1.00 0.36 C ATOM 917 C VAL A 78 -1.063 1.756 1.761 1.00 0.36 C ATOM 918 O VAL A 78 -1.610 2.056 2.826 1.00 0.38 O ATOM 919 CB VAL A 78 -2.785 0.415 0.450 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.851 0.663 1.499 1.00 1.00 C ATOM 921 CG2 VAL A 78 -2.891 1.408 -0.687 1.00 1.01 C ATOM 0 H VAL A 78 -1.885 -0.811 2.639 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.669 0.341 0.216 1.00 0.36 H new ATOM 0 HB VAL A 78 -2.962 -0.585 0.054 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.835 0.639 1.031 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.794 -0.110 2.265 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.691 1.639 1.957 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -3.899 1.381 -1.101 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.678 2.410 -0.316 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -2.172 1.149 -1.465 1.00 1.01 H new ATOM 931 N LEU A 79 -0.152 2.515 1.177 1.00 0.38 N ATOM 932 CA LEU A 79 0.314 3.755 1.770 1.00 0.40 C ATOM 933 C LEU A 79 -0.239 4.950 1.012 1.00 0.37 C ATOM 934 O LEU A 79 0.164 5.221 -0.121 1.00 0.41 O ATOM 935 CB LEU A 79 1.845 3.804 1.761 1.00 0.46 C ATOM 936 CG LEU A 79 2.545 2.632 2.457 1.00 0.58 C ATOM 937 CD1 LEU A 79 4.054 2.761 2.324 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.146 2.561 3.923 1.00 1.37 C ATOM 0 H LEU A 79 0.283 2.290 0.282 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.041 3.795 2.800 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.184 3.845 0.726 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.165 4.731 2.238 1.00 0.46 H new ATOM 0 HG LEU A 79 2.230 1.708 1.971 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.536 1.921 2.824 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.328 2.761 1.269 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.381 3.693 2.784 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.654 1.722 4.398 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.430 3.487 4.423 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.068 2.423 4.000 1.00 1.37 H new ATOM 950 N ILE A 80 -1.170 5.656 1.628 1.00 0.41 N ATOM 951 CA ILE A 80 -1.728 6.853 1.024 1.00 0.43 C ATOM 952 C ILE A 80 -0.937 8.077 1.470 1.00 0.41 C ATOM 953 O ILE A 80 -0.769 8.319 2.665 1.00 0.42 O ATOM 954 CB ILE A 80 -3.229 7.030 1.358 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.464 7.011 2.873 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.048 5.942 0.678 1.00 1.39 C ATOM 957 CD1 ILE A 80 -4.907 7.251 3.271 1.00 1.40 C ATOM 0 H ILE A 80 -1.555 5.422 2.543 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.650 6.744 -0.058 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.550 8.001 0.982 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.143 6.048 3.269 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -2.837 7.772 3.338 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.102 6.076 0.920 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.912 6.005 -0.402 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.717 4.965 1.029 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -4.994 7.223 4.357 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.228 8.227 2.906 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.538 6.476 2.836 1.00 1.40 H new ATOM 969 N THR A 81 -0.420 8.825 0.509 1.00 0.60 N ATOM 970 CA THR A 81 0.399 9.984 0.818 1.00 0.69 C ATOM 971 C THR A 81 -0.410 11.270 0.719 1.00 0.79 C ATOM 972 O THR A 81 -1.137 11.485 -0.253 1.00 1.20 O ATOM 973 CB THR A 81 1.616 10.075 -0.121 1.00 1.13 C ATOM 974 OG1 THR A 81 2.246 8.792 -0.222 1.00 2.07 O ATOM 975 CG2 THR A 81 2.624 11.097 0.387 1.00 1.92 C ATOM 0 H THR A 81 -0.552 8.651 -0.487 1.00 0.60 H new ATOM 0 HA THR A 81 0.751 9.862 1.842 1.00 0.69 H new ATOM 0 HB THR A 81 1.266 10.394 -1.103 1.00 1.13 H new ATOM 0 HG1 THR A 81 1.646 8.168 -0.682 1.00 2.07 H new ATOM 0 HG21 THR A 81 3.473 11.141 -0.295 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.152 12.078 0.442 1.00 1.92 H new ATOM 0 HG23 THR A 81 2.970 10.805 1.379 1.00 1.92 H new ATOM 983 N GLY A 82 -0.293 12.106 1.739 1.00 0.73 N ATOM 984 CA GLY A 82 -0.951 13.393 1.723 1.00 1.09 C ATOM 985 C GLY A 82 -2.159 13.436 2.630 1.00 0.92 C ATOM 986 O GLY A 82 -2.329 12.571 3.492 1.00 1.03 O ATOM 0 H GLY A 82 0.249 11.914 2.581 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.243 14.163 2.029 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.257 13.628 0.704 1.00 1.09 H new ATOM 990 N SER A 83 -2.991 14.441 2.439 1.00 1.03 N ATOM 991 CA SER A 83 -4.195 14.604 3.228 1.00 1.19 C ATOM 992 C SER A 83 -5.400 14.080 2.455 1.00 1.10 C ATOM 993 O SER A 83 -5.733 14.590 1.384 1.00 1.22 O ATOM 994 CB SER A 83 -4.387 16.080 3.589 1.00 1.61 C ATOM 995 OG SER A 83 -5.526 16.270 4.411 1.00 2.22 O ATOM 0 H SER A 83 -2.852 15.165 1.735 1.00 1.03 H new ATOM 0 HA SER A 83 -4.099 14.031 4.150 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.500 16.448 4.104 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.493 16.668 2.677 1.00 1.61 H new ATOM 0 HG SER A 83 -5.620 17.222 4.625 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.032 13.047 2.989 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.214 12.471 2.370 1.00 0.95 C ATOM 1003 C ALA A 84 -8.424 13.361 2.621 1.00 0.97 C ATOM 1004 O ALA A 84 -8.756 13.663 3.771 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.462 11.072 2.915 1.00 0.97 C ATOM 0 H ALA A 84 -5.744 12.589 3.854 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.051 12.401 1.295 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.350 10.650 2.444 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.601 10.439 2.698 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.613 11.123 3.993 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.066 13.799 1.547 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.286 14.590 1.665 1.00 0.93 C ATOM 1013 C ASP A 85 -11.439 13.690 2.098 1.00 0.81 C ATOM 1014 O ASP A 85 -11.361 12.477 1.916 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.617 15.290 0.341 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.717 16.480 0.063 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.645 17.390 0.914 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.088 16.520 -1.016 1.00 1.92 O ATOM 0 H ASP A 85 -8.766 13.622 0.588 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.131 15.362 2.419 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.527 14.574 -0.476 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.655 15.622 0.361 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.503 14.268 2.697 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.651 13.526 3.231 1.00 0.95 C ATOM 1025 C PRO A 86 -14.057 12.308 2.397 1.00 0.85 C ATOM 1026 O PRO A 86 -14.188 11.204 2.931 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.785 14.566 3.236 1.00 1.11 C ATOM 1028 CG PRO A 86 -14.165 15.877 2.853 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.673 15.703 2.931 1.00 1.11 C ATOM 0 HA PRO A 86 -13.413 13.109 4.210 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.569 14.288 2.532 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.248 14.629 4.221 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.467 16.166 1.846 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -14.496 16.670 3.524 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.156 16.300 2.179 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -12.281 16.004 3.902 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.237 12.503 1.094 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.625 11.406 0.207 1.00 0.86 C ATOM 1039 C ASP A 87 -13.569 10.315 0.203 1.00 0.74 C ATOM 1040 O ASP A 87 -13.854 9.166 0.533 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.850 11.903 -1.223 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.230 10.777 -2.169 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -14.339 10.243 -2.866 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.425 10.426 -2.231 1.00 2.21 O ATOM 0 H ASP A 87 -14.122 13.404 0.629 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.561 10.997 0.587 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -15.637 12.657 -1.224 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -13.943 12.388 -1.584 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.347 10.694 -0.144 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.235 9.756 -0.232 1.00 0.67 C ATOM 1051 C GLU A 88 -11.020 9.037 1.097 1.00 0.55 C ATOM 1052 O GLU A 88 -10.754 7.833 1.129 1.00 0.54 O ATOM 1053 CB GLU A 88 -9.963 10.502 -0.622 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.082 11.269 -1.926 1.00 1.02 C ATOM 1055 CD GLU A 88 -8.815 12.018 -2.275 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -8.134 11.629 -3.247 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -8.499 13.007 -1.583 1.00 2.32 O ATOM 0 H GLU A 88 -12.098 11.657 -0.372 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.473 9.012 -0.992 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.701 11.197 0.176 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.144 9.788 -0.704 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.324 10.575 -2.731 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.910 11.975 -1.854 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.148 9.789 2.183 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.994 9.250 3.525 1.00 0.62 C ATOM 1066 C LYS A 89 -12.037 8.169 3.792 1.00 0.59 C ATOM 1067 O LYS A 89 -11.719 7.111 4.332 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.122 10.376 4.559 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.953 9.921 6.001 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.543 9.423 6.278 1.00 1.77 C ATOM 1071 CE LYS A 89 -9.393 8.948 7.717 1.00 2.39 C ATOM 1072 NZ LYS A 89 -9.638 10.041 8.696 1.00 2.81 N ATOM 0 H LYS A 89 -11.361 10.786 2.157 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.004 8.801 3.609 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.376 11.140 4.341 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.100 10.845 4.450 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.184 10.748 6.672 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -11.667 9.127 6.217 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.304 8.606 5.597 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -8.828 10.222 6.081 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -10.091 8.132 7.903 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -8.389 8.549 7.864 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -9.331 9.735 9.642 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -9.102 10.886 8.414 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -10.653 10.267 8.718 1.00 2.81 H new ATOM 1086 N THR A 90 -13.275 8.436 3.397 1.00 0.62 N ATOM 1087 CA THR A 90 -14.366 7.491 3.603 1.00 0.69 C ATOM 1088 C THR A 90 -14.218 6.287 2.676 1.00 0.62 C ATOM 1089 O THR A 90 -14.439 5.144 3.085 1.00 0.69 O ATOM 1090 CB THR A 90 -15.731 8.164 3.366 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.790 9.397 4.095 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.874 7.259 3.808 1.00 1.17 C ATOM 0 H THR A 90 -13.550 9.301 2.931 1.00 0.62 H new ATOM 0 HA THR A 90 -14.319 7.151 4.638 1.00 0.69 H new ATOM 0 HB THR A 90 -15.837 8.356 2.298 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.203 10.057 3.670 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.825 7.760 3.629 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.842 6.329 3.241 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.774 7.040 4.871 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.824 6.552 1.433 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.603 5.497 0.453 1.00 0.64 C ATOM 1102 C LYS A 91 -12.589 4.485 0.966 1.00 0.63 C ATOM 1103 O LYS A 91 -12.865 3.286 1.014 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.105 6.087 -0.866 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.114 6.978 -1.573 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.258 6.175 -2.168 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.280 7.076 -2.842 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.655 7.975 -3.850 1.00 2.41 N ATOM 0 H LYS A 91 -13.651 7.494 1.081 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.555 4.993 0.287 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.200 6.664 -0.674 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -12.827 5.271 -1.534 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.511 7.708 -0.868 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -13.614 7.538 -2.363 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -14.865 5.463 -2.893 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.744 5.595 -1.383 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.040 6.463 -3.326 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.788 7.676 -2.087 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -16.394 8.383 -4.457 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.145 8.740 -3.364 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -14.988 7.431 -4.434 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.425 4.982 1.371 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.343 4.129 1.844 1.00 0.67 C ATOM 1124 C ALA A 92 -10.673 3.526 3.203 1.00 0.68 C ATOM 1125 O ALA A 92 -10.086 2.528 3.610 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.043 4.917 1.915 1.00 0.74 C ATOM 0 H ALA A 92 -11.207 5.978 1.381 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.221 3.311 1.134 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.243 4.268 2.270 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -8.792 5.294 0.924 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.162 5.755 2.602 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.619 4.139 3.898 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.031 3.675 5.213 1.00 0.71 C ATOM 1134 C LYS A 93 -12.938 2.458 5.096 1.00 0.70 C ATOM 1135 O LYS A 93 -12.647 1.401 5.655 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.755 4.799 5.958 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.240 4.422 7.348 1.00 1.09 C ATOM 1138 CD LYS A 93 -13.867 5.617 8.045 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.366 5.257 9.433 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.892 6.447 10.151 1.00 2.44 N ATOM 0 H LYS A 93 -12.119 4.965 3.570 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.141 3.387 5.773 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.084 5.654 6.040 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.610 5.120 5.363 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.968 3.614 7.277 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -12.405 4.047 7.940 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.135 6.421 8.118 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -14.696 5.994 7.446 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -15.149 4.503 9.354 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -13.554 4.814 10.009 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.224 6.164 11.095 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.137 7.156 10.247 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -15.683 6.855 9.614 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.022 2.607 4.349 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.018 1.553 4.231 1.00 0.71 C ATOM 1156 C LYS A 94 -14.459 0.378 3.432 1.00 0.67 C ATOM 1157 O LYS A 94 -14.692 -0.781 3.772 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.292 2.108 3.580 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.555 1.305 3.884 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.689 0.068 3.009 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.025 0.430 1.573 1.00 2.57 C ATOM 1162 NZ LYS A 94 -18.317 -0.773 0.754 1.00 2.85 N ATOM 0 H LYS A 94 -14.234 3.449 3.815 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.271 1.189 5.227 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.439 3.135 3.915 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.149 2.142 2.500 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.546 1.005 4.932 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -18.428 1.942 3.742 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -16.758 -0.498 3.033 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.467 -0.581 3.412 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.887 1.097 1.559 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -17.192 0.976 1.132 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -18.542 -0.484 -0.219 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -17.486 -1.398 0.747 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.128 -1.281 1.160 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.698 0.683 2.387 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.101 -0.351 1.552 1.00 0.60 C ATOM 1178 C ALA A 95 -12.080 -1.169 2.341 1.00 0.57 C ATOM 1179 O ALA A 95 -11.922 -2.367 2.112 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.458 0.267 0.321 1.00 0.63 C ATOM 0 H ALA A 95 -13.480 1.637 2.099 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.893 -1.026 1.227 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -12.017 -0.519 -0.292 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.215 0.797 -0.258 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.681 0.967 0.629 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.407 -0.519 3.287 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.415 -1.188 4.124 1.00 0.58 C ATOM 1188 C ALA A 96 -11.064 -2.264 4.986 1.00 0.56 C ATOM 1189 O ALA A 96 -10.480 -3.323 5.225 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.701 -0.184 5.009 1.00 0.64 C ATOM 0 H ALA A 96 -11.531 0.472 3.493 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.688 -1.662 3.464 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.966 -0.701 5.626 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.197 0.556 4.387 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.426 0.315 5.651 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.278 -1.984 5.442 1.00 0.57 N ATOM 1197 CA GLU A 97 -13.020 -2.910 6.288 1.00 0.63 C ATOM 1198 C GLU A 97 -13.400 -4.161 5.506 1.00 0.55 C ATOM 1199 O GLU A 97 -13.580 -5.240 6.076 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.291 -2.239 6.816 1.00 0.80 C ATOM 1201 CG GLU A 97 -14.049 -0.913 7.519 1.00 1.46 C ATOM 1202 CD GLU A 97 -13.246 -1.057 8.791 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -13.833 -1.429 9.826 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -12.028 -0.792 8.764 1.00 2.39 O ATOM 0 H GLU A 97 -12.773 -1.116 5.238 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.382 -3.192 7.126 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.975 -2.077 5.983 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.787 -2.919 7.508 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -13.527 -0.238 6.841 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -15.008 -0.451 7.752 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.526 -4.010 4.198 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.917 -5.111 3.334 1.00 0.57 C ATOM 1213 C GLU A 98 -12.687 -5.874 2.851 1.00 0.52 C ATOM 1214 O GLU A 98 -12.664 -7.102 2.852 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.707 -4.585 2.134 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.844 -3.644 2.509 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.865 -4.282 3.428 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.705 -5.064 2.937 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.849 -3.992 4.642 1.00 2.66 O ATOM 0 H GLU A 98 -13.362 -3.130 3.709 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.548 -5.791 3.906 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.025 -4.065 1.462 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -15.116 -5.431 1.581 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.431 -2.759 2.993 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.343 -3.306 1.601 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.656 -5.135 2.464 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.452 -5.730 1.895 1.00 0.49 C ATOM 1228 C ALA A 99 -9.606 -6.439 2.950 1.00 0.46 C ATOM 1229 O ALA A 99 -8.718 -7.223 2.617 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.630 -4.668 1.185 1.00 0.58 C ATOM 0 H ALA A 99 -11.629 -4.118 2.534 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.769 -6.484 1.175 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.733 -5.123 0.764 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.222 -4.224 0.384 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.344 -3.893 1.896 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.890 -6.183 4.225 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.115 -6.780 5.313 1.00 0.53 C ATOM 1238 C ARG A 100 -9.276 -8.300 5.344 1.00 0.51 C ATOM 1239 O ARG A 100 -8.542 -8.990 6.052 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.500 -6.176 6.668 1.00 0.64 C ATOM 1241 CG ARG A 100 -10.902 -6.518 7.139 1.00 1.22 C ATOM 1242 CD ARG A 100 -11.162 -5.942 8.522 1.00 1.52 C ATOM 1243 NE ARG A 100 -12.550 -6.116 8.945 1.00 2.17 N ATOM 1244 CZ ARG A 100 -13.239 -5.195 9.620 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -12.658 -4.056 9.978 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -14.504 -5.418 9.946 1.00 3.77 N ATOM 0 H ARG A 100 -10.646 -5.570 4.530 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.066 -6.553 5.123 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.786 -6.516 7.418 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.406 -5.092 6.607 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -11.634 -6.125 6.433 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -11.029 -7.600 7.161 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.502 -6.424 9.243 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -10.915 -4.880 8.523 1.00 1.52 H new ATOM 0 HE ARG A 100 -13.018 -6.991 8.711 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.682 -3.883 9.737 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -13.188 -3.354 10.494 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -14.952 -6.295 9.681 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -15.030 -4.713 10.462 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.227 -8.816 4.568 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.426 -10.258 4.440 1.00 0.58 C ATOM 1262 C LYS A 101 -9.162 -10.932 3.925 1.00 0.63 C ATOM 1263 O LYS A 101 -8.888 -12.091 4.240 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.574 -10.557 3.478 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.905 -9.995 3.922 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.000 -10.309 2.919 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.335 -9.747 3.368 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.718 -10.250 4.712 1.00 3.24 N ATOM 0 H LYS A 101 -10.875 -8.254 4.016 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.667 -10.649 5.428 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.328 -10.151 2.497 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.667 -11.637 3.362 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.171 -10.409 4.895 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.823 -8.915 4.047 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.736 -9.893 1.947 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -14.081 -11.389 2.792 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -15.284 -8.658 3.388 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -16.105 -10.017 2.645 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.734 -10.090 4.866 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.515 -11.268 4.772 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.174 -9.745 5.440 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.400 -10.198 3.127 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.186 -10.726 2.531 1.00 0.71 C ATOM 1284 C TRP A 102 -5.962 -10.041 3.128 1.00 0.64 C ATOM 1285 O TRP A 102 -4.955 -9.844 2.451 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.221 -10.534 1.016 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.434 -11.134 0.372 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.599 -12.432 -0.014 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.654 -10.458 0.042 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -9.847 -12.606 -0.560 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.514 -11.410 -0.539 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.103 -9.144 0.181 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.794 -11.087 -0.978 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -11.375 -8.824 -0.254 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.207 -9.792 -0.828 1.00 2.21 C ATOM 0 H TRP A 102 -8.604 -9.230 2.878 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.122 -11.793 2.746 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.188 -9.468 0.791 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.328 -10.980 0.579 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -7.857 -13.209 0.094 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.217 -13.484 -0.923 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -9.467 -8.390 0.621 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.438 -11.832 -1.421 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -11.733 -7.810 -0.149 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -13.196 -9.510 -1.159 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.081 -9.670 4.402 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.987 -9.047 5.154 1.00 0.64 C ATOM 1308 C ASN A 103 -4.521 -7.750 4.499 1.00 0.56 C ATOM 1309 O ASN A 103 -3.327 -7.444 4.473 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.806 -10.013 5.309 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.151 -11.239 6.134 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.576 -12.264 5.600 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -3.971 -11.147 7.440 1.00 2.00 N ATOM 0 H ASN A 103 -6.937 -9.792 4.944 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.375 -8.806 6.144 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.469 -10.329 4.322 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.973 -9.489 5.777 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -4.186 -11.942 8.042 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -3.617 -10.281 7.846 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.469 -6.994 3.962 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.169 -5.690 3.393 1.00 0.45 C ATOM 1322 C VAL A 104 -5.296 -4.618 4.468 1.00 0.48 C ATOM 1323 O VAL A 104 -6.310 -4.547 5.167 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.108 -5.348 2.215 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.791 -3.972 1.647 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.014 -6.411 1.128 1.00 0.99 C ATOM 0 H VAL A 104 -6.452 -7.262 3.909 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.148 -5.722 3.013 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.130 -5.330 2.593 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.466 -3.756 0.819 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.918 -3.219 2.425 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.761 -3.954 1.290 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.683 -6.152 0.307 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.990 -6.464 0.759 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.302 -7.378 1.539 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.261 -3.804 4.614 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.251 -2.759 5.623 1.00 0.48 C ATOM 1338 C ARG A 105 -3.907 -1.408 5.001 1.00 0.44 C ATOM 1339 O ARG A 105 -3.107 -1.327 4.064 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.252 -3.113 6.728 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.828 -3.281 6.227 1.00 1.28 C ATOM 1342 CD ARG A 105 -0.922 -3.878 7.290 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.334 -5.231 7.665 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.512 -6.142 8.180 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.770 -5.852 8.369 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -0.973 -7.342 8.509 1.00 4.06 N ATOM 0 H ARG A 105 -3.416 -3.849 4.044 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.248 -2.684 6.058 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.271 -2.332 7.488 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.570 -4.037 7.212 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.826 -3.923 5.346 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.435 -2.313 5.917 1.00 1.28 H new ATOM 0 HD2 ARG A 105 0.103 -3.900 6.921 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.929 -3.239 8.173 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.310 -5.492 7.523 1.00 2.38 H new ATOM 0 HH11 ARG A 105 1.126 -4.929 8.119 1.00 3.33 H new ATOM 0 HH12 ARG A 105 1.398 -6.552 8.764 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -1.958 -7.566 8.367 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.343 -8.040 8.904 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.525 -0.356 5.520 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.323 0.992 5.002 1.00 0.48 C ATOM 1362 C VAL A 106 -3.539 1.834 6.000 1.00 0.50 C ATOM 1363 O VAL A 106 -3.897 1.908 7.178 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.670 1.686 4.709 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.457 3.036 4.038 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.556 0.798 3.853 1.00 1.58 C ATOM 0 H VAL A 106 -5.175 -0.410 6.304 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.761 0.904 4.072 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.172 1.859 5.661 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.423 3.502 3.843 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.869 3.679 4.693 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.926 2.895 3.097 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.500 1.306 3.658 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.055 0.587 2.908 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.749 -0.138 4.378 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.470 2.461 5.532 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.649 3.296 6.389 1.00 0.58 C ATOM 1378 C ARG A 107 -1.278 4.590 5.672 1.00 0.49 C ATOM 1379 O ARG A 107 -0.895 4.578 4.502 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.400 2.526 6.824 1.00 0.74 C ATOM 1381 CG ARG A 107 0.393 3.207 7.925 1.00 1.02 C ATOM 1382 CD ARG A 107 1.305 2.220 8.636 1.00 0.90 C ATOM 1383 NE ARG A 107 0.548 1.135 9.268 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.105 0.130 9.948 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.420 0.073 10.089 1.00 2.26 N ATOM 1386 NH2 ARG A 107 0.344 -0.817 10.481 1.00 3.00 N ATOM 0 H ARG A 107 -2.153 2.406 4.564 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.216 3.560 7.281 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.697 1.534 7.165 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.247 2.385 5.958 1.00 0.74 H new ATOM 0 HG2 ARG A 107 0.988 4.016 7.501 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.291 3.657 8.644 1.00 1.02 H new ATOM 0 HD2 ARG A 107 2.013 1.800 7.922 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.888 2.745 9.393 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.468 1.149 9.183 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.009 0.797 9.678 1.00 2.26 H new ATOM 0 HH12 ARG A 107 2.844 -0.695 10.609 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -0.669 -0.779 10.372 1.00 3.00 H new ATOM 0 HH22 ARG A 107 0.772 -1.584 11.000 1.00 3.00 H new ATOM 1400 N THR A 108 -1.424 5.703 6.370 1.00 0.56 N ATOM 1401 CA THR A 108 -1.164 7.011 5.789 1.00 0.51 C ATOM 1402 C THR A 108 0.299 7.412 5.956 1.00 0.52 C ATOM 1403 O THR A 108 0.886 7.223 7.023 1.00 0.66 O ATOM 1404 CB THR A 108 -2.062 8.078 6.445 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.431 7.661 6.371 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.903 9.431 5.765 1.00 0.68 C ATOM 0 H THR A 108 -1.723 5.728 7.345 1.00 0.56 H new ATOM 0 HA THR A 108 -1.389 6.947 4.724 1.00 0.51 H new ATOM 0 HB THR A 108 -1.760 8.185 7.487 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.002 8.338 6.790 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.550 10.161 6.252 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.866 9.757 5.842 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.179 9.345 4.714 1.00 0.68 H new ATOM 1414 N VAL A 109 0.879 7.954 4.895 1.00 0.47 N ATOM 1415 CA VAL A 109 2.245 8.450 4.936 1.00 0.55 C ATOM 1416 C VAL A 109 2.294 9.902 4.470 1.00 0.57 C ATOM 1417 O VAL A 109 1.581 10.298 3.549 1.00 0.62 O ATOM 1418 CB VAL A 109 3.202 7.593 4.074 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.325 6.190 4.640 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.737 7.536 2.627 1.00 1.05 C ATOM 0 H VAL A 109 0.421 8.061 3.990 1.00 0.47 H new ATOM 0 HA VAL A 109 2.581 8.384 5.971 1.00 0.55 H new ATOM 0 HB VAL A 109 4.183 8.067 4.099 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.003 5.605 4.018 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.717 6.241 5.656 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.344 5.716 4.653 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.429 6.927 2.046 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.741 7.096 2.582 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.707 8.544 2.214 1.00 1.05 H new ATOM 1430 N THR A 110 3.108 10.703 5.134 1.00 0.70 N ATOM 1431 CA THR A 110 3.267 12.101 4.770 1.00 0.84 C ATOM 1432 C THR A 110 4.718 12.412 4.410 1.00 0.84 C ATOM 1433 O THR A 110 5.042 13.510 3.961 1.00 0.97 O ATOM 1434 CB THR A 110 2.805 13.022 5.916 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.316 12.534 7.164 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.286 13.095 5.979 1.00 1.45 C ATOM 0 H THR A 110 3.672 10.408 5.931 1.00 0.70 H new ATOM 0 HA THR A 110 2.643 12.286 3.896 1.00 0.84 H new ATOM 0 HB THR A 110 3.190 14.024 5.727 1.00 1.02 H new ATOM 0 HG1 THR A 110 3.022 13.123 7.890 1.00 1.55 H new ATOM 0 HG21 THR A 110 0.987 13.751 6.796 1.00 1.45 H new ATOM 0 HG22 THR A 110 0.901 13.489 5.038 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.880 12.097 6.148 1.00 1.45 H new ATOM 1444 N SER A 111 5.593 11.435 4.611 1.00 0.79 N ATOM 1445 CA SER A 111 7.006 11.594 4.307 1.00 0.85 C ATOM 1446 C SER A 111 7.611 10.247 3.917 1.00 0.76 C ATOM 1447 O SER A 111 7.249 9.210 4.476 1.00 0.69 O ATOM 1448 CB SER A 111 7.738 12.175 5.521 1.00 0.96 C ATOM 1449 OG SER A 111 7.183 13.424 5.899 1.00 1.52 O ATOM 0 H SER A 111 5.345 10.519 4.986 1.00 0.79 H new ATOM 0 HA SER A 111 7.116 12.282 3.469 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.675 11.477 6.356 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.796 12.299 5.288 1.00 0.96 H new ATOM 0 HG SER A 111 7.665 13.774 6.677 1.00 1.52 H new ATOM 1455 N PRO A 112 8.532 10.247 2.931 1.00 0.82 N ATOM 1456 CA PRO A 112 9.179 9.024 2.434 1.00 0.80 C ATOM 1457 C PRO A 112 9.992 8.318 3.510 1.00 0.70 C ATOM 1458 O PRO A 112 10.094 7.093 3.515 1.00 0.74 O ATOM 1459 CB PRO A 112 10.099 9.518 1.313 1.00 0.95 C ATOM 1460 CG PRO A 112 9.588 10.869 0.953 1.00 1.05 C ATOM 1461 CD PRO A 112 9.008 11.441 2.211 1.00 0.97 C ATOM 0 HA PRO A 112 8.443 8.292 2.102 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.136 9.566 1.647 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.071 8.845 0.456 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.390 11.500 0.571 1.00 1.05 H new ATOM 0 HG3 PRO A 112 8.833 10.804 0.170 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.754 11.988 2.787 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.195 12.136 2.001 1.00 0.97 H new ATOM 1469 N ASP A 113 10.566 9.101 4.416 1.00 0.67 N ATOM 1470 CA ASP A 113 11.322 8.558 5.542 1.00 0.66 C ATOM 1471 C ASP A 113 10.419 7.685 6.401 1.00 0.59 C ATOM 1472 O ASP A 113 10.826 6.634 6.898 1.00 0.63 O ATOM 1473 CB ASP A 113 11.894 9.695 6.394 1.00 0.74 C ATOM 1474 CG ASP A 113 12.728 10.668 5.589 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.142 11.520 4.892 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.972 10.595 5.654 1.00 2.44 O ATOM 0 H ASP A 113 10.523 10.120 4.394 1.00 0.67 H new ATOM 0 HA ASP A 113 12.143 7.956 5.152 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.075 10.233 6.871 1.00 0.74 H new ATOM 0 HB3 ASP A 113 12.505 9.273 7.192 1.00 0.74 H new ATOM 1481 N GLU A 114 9.181 8.132 6.549 1.00 0.57 N ATOM 1482 CA GLU A 114 8.190 7.420 7.335 1.00 0.60 C ATOM 1483 C GLU A 114 7.705 6.187 6.585 1.00 0.52 C ATOM 1484 O GLU A 114 7.610 5.102 7.154 1.00 0.52 O ATOM 1485 CB GLU A 114 7.017 8.347 7.646 1.00 0.73 C ATOM 1486 CG GLU A 114 7.428 9.611 8.382 1.00 1.18 C ATOM 1487 CD GLU A 114 7.979 9.327 9.761 1.00 1.99 C ATOM 1488 OE1 GLU A 114 7.198 9.367 10.732 1.00 2.63 O ATOM 1489 OE2 GLU A 114 9.191 9.055 9.884 1.00 2.70 O ATOM 0 H GLU A 114 8.838 8.996 6.128 1.00 0.57 H new ATOM 0 HA GLU A 114 8.645 7.096 8.271 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.523 8.622 6.714 1.00 0.73 H new ATOM 0 HB3 GLU A 114 6.285 7.807 8.247 1.00 0.73 H new ATOM 0 HG2 GLU A 114 8.180 10.140 7.796 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.567 10.273 8.468 1.00 1.18 H new ATOM 1496 N ALA A 115 7.417 6.361 5.300 1.00 0.55 N ATOM 1497 CA ALA A 115 6.982 5.256 4.453 1.00 0.58 C ATOM 1498 C ALA A 115 8.020 4.141 4.454 1.00 0.51 C ATOM 1499 O ALA A 115 7.680 2.957 4.481 1.00 0.51 O ATOM 1500 CB ALA A 115 6.732 5.745 3.034 1.00 0.70 C ATOM 0 H ALA A 115 7.477 7.259 4.821 1.00 0.55 H new ATOM 0 HA ALA A 115 6.050 4.859 4.855 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.408 4.910 2.413 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.957 6.511 3.045 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.652 6.165 2.626 1.00 0.70 H new ATOM 1506 N LYS A 116 9.285 4.543 4.444 1.00 0.51 N ATOM 1507 CA LYS A 116 10.404 3.615 4.475 1.00 0.51 C ATOM 1508 C LYS A 116 10.331 2.698 5.694 1.00 0.44 C ATOM 1509 O LYS A 116 10.483 1.479 5.575 1.00 0.49 O ATOM 1510 CB LYS A 116 11.720 4.397 4.488 1.00 0.64 C ATOM 1511 CG LYS A 116 12.960 3.522 4.594 1.00 1.38 C ATOM 1512 CD LYS A 116 14.227 4.354 4.710 1.00 1.43 C ATOM 1513 CE LYS A 116 14.187 5.266 5.928 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.468 5.986 6.128 1.00 2.33 N ATOM 0 H LYS A 116 9.562 5.524 4.414 1.00 0.51 H new ATOM 0 HA LYS A 116 10.356 2.991 3.582 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.785 4.993 3.578 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.708 5.095 5.325 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.872 2.870 5.463 1.00 1.38 H new ATOM 0 HG3 LYS A 116 13.027 2.878 3.717 1.00 1.38 H new ATOM 0 HD2 LYS A 116 15.092 3.694 4.777 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.353 4.954 3.809 1.00 1.43 H new ATOM 0 HE2 LYS A 116 13.379 5.989 5.813 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.961 4.675 6.816 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 15.396 6.595 6.968 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 16.236 5.298 6.264 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.672 6.571 5.292 1.00 2.33 H new ATOM 1528 N ARG A 117 10.081 3.279 6.863 1.00 0.42 N ATOM 1529 CA ARG A 117 10.067 2.502 8.095 1.00 0.44 C ATOM 1530 C ARG A 117 8.868 1.557 8.119 1.00 0.43 C ATOM 1531 O ARG A 117 8.929 0.480 8.718 1.00 0.50 O ATOM 1532 CB ARG A 117 10.064 3.411 9.334 1.00 0.57 C ATOM 1533 CG ARG A 117 8.696 3.952 9.723 1.00 0.90 C ATOM 1534 CD ARG A 117 8.760 4.759 11.010 1.00 1.39 C ATOM 1535 NE ARG A 117 9.439 6.044 10.830 1.00 1.99 N ATOM 1536 CZ ARG A 117 10.579 6.386 11.432 1.00 2.83 C ATOM 1537 NH1 ARG A 117 11.231 5.514 12.194 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.075 7.603 11.254 1.00 3.61 N ATOM 0 H ARG A 117 9.888 4.273 6.982 1.00 0.42 H new ATOM 0 HA ARG A 117 10.980 1.908 8.123 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.472 2.854 10.177 1.00 0.57 H new ATOM 0 HB3 ARG A 117 10.734 4.252 9.153 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.309 4.578 8.919 1.00 0.90 H new ATOM 0 HG3 ARG A 117 7.998 3.124 9.846 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.749 4.934 11.377 1.00 1.39 H new ATOM 0 HD3 ARG A 117 9.280 4.180 11.773 1.00 1.39 H new ATOM 0 HE ARG A 117 9.011 6.724 10.201 1.00 1.99 H new ATOM 0 HH11 ARG A 117 10.860 4.573 12.323 1.00 3.30 H new ATOM 0 HH12 ARG A 117 12.102 5.786 12.650 1.00 3.30 H new ATOM 0 HH21 ARG A 117 10.585 8.271 10.659 1.00 3.61 H new ATOM 0 HH22 ARG A 117 11.946 7.871 11.712 1.00 3.61 H new ATOM 1552 N TRP A 118 7.786 1.953 7.455 1.00 0.43 N ATOM 1553 CA TRP A 118 6.595 1.120 7.382 1.00 0.51 C ATOM 1554 C TRP A 118 6.833 -0.079 6.476 1.00 0.51 C ATOM 1555 O TRP A 118 6.473 -1.204 6.821 1.00 0.60 O ATOM 1556 CB TRP A 118 5.386 1.914 6.883 1.00 0.59 C ATOM 1557 CG TRP A 118 4.955 3.015 7.805 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.648 4.295 7.451 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.780 2.941 9.228 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.290 5.020 8.558 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.365 4.213 9.662 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.934 1.927 10.177 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.100 4.496 10.999 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.669 2.210 11.503 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.257 3.484 11.904 1.00 3.39 C ATOM 0 H TRP A 118 7.712 2.843 6.962 1.00 0.43 H new ATOM 0 HA TRP A 118 6.381 0.769 8.391 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.623 2.342 5.909 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.551 1.229 6.736 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.682 4.682 6.443 1.00 0.98 H new ATOM 0 HE1 TRP A 118 4.013 6.002 8.559 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.254 0.940 9.879 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.782 5.480 11.310 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.782 1.432 12.244 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.059 3.672 12.949 1.00 3.39 H new ATOM 1576 N ILE A 119 7.445 0.161 5.323 1.00 0.48 N ATOM 1577 CA ILE A 119 7.748 -0.917 4.390 1.00 0.54 C ATOM 1578 C ILE A 119 8.721 -1.905 5.024 1.00 0.53 C ATOM 1579 O ILE A 119 8.569 -3.117 4.881 1.00 0.58 O ATOM 1580 CB ILE A 119 8.328 -0.382 3.063 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.329 0.569 2.396 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.679 -1.533 2.123 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.845 1.203 1.122 1.00 0.81 C ATOM 0 H ILE A 119 7.740 1.087 5.013 1.00 0.48 H new ATOM 0 HA ILE A 119 6.812 -1.426 4.162 1.00 0.54 H new ATOM 0 HB ILE A 119 9.243 0.168 3.283 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.414 0.021 2.173 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.065 1.357 3.102 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.086 -1.133 1.194 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.420 -2.176 2.597 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.781 -2.112 1.906 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.082 1.862 0.709 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.743 1.780 1.341 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.082 0.424 0.398 1.00 0.81 H new ATOM 1595 N LYS A 120 9.705 -1.381 5.751 1.00 0.52 N ATOM 1596 CA LYS A 120 10.646 -2.220 6.487 1.00 0.57 C ATOM 1597 C LYS A 120 9.901 -3.099 7.489 1.00 0.56 C ATOM 1598 O LYS A 120 10.140 -4.306 7.575 1.00 0.61 O ATOM 1599 CB LYS A 120 11.677 -1.350 7.214 1.00 0.66 C ATOM 1600 CG LYS A 120 12.651 -2.137 8.081 1.00 1.08 C ATOM 1601 CD LYS A 120 13.501 -3.092 7.257 1.00 1.68 C ATOM 1602 CE LYS A 120 14.484 -3.862 8.128 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.439 -2.961 8.829 1.00 2.76 N ATOM 0 H LYS A 120 9.871 -0.379 5.846 1.00 0.52 H new ATOM 0 HA LYS A 120 11.167 -2.862 5.777 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.242 -0.781 6.476 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.152 -0.628 7.839 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.300 -1.445 8.618 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.096 -2.700 8.831 1.00 1.08 H new ATOM 0 HD2 LYS A 120 12.854 -3.793 6.730 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.048 -2.531 6.499 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.933 -4.448 8.864 1.00 2.25 H new ATOM 0 HE3 LYS A 120 15.039 -4.567 7.510 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.217 -3.523 9.229 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.823 -2.269 8.154 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.945 -2.460 9.595 1.00 2.76 H new ATOM 1617 N GLU A 121 8.981 -2.484 8.223 1.00 0.56 N ATOM 1618 CA GLU A 121 8.160 -3.189 9.202 1.00 0.63 C ATOM 1619 C GLU A 121 7.300 -4.255 8.519 1.00 0.67 C ATOM 1620 O GLU A 121 6.997 -5.296 9.097 1.00 0.79 O ATOM 1621 CB GLU A 121 7.274 -2.180 9.938 1.00 0.71 C ATOM 1622 CG GLU A 121 6.381 -2.791 11.004 1.00 1.18 C ATOM 1623 CD GLU A 121 5.447 -1.772 11.620 1.00 1.87 C ATOM 1624 OE1 GLU A 121 5.846 -1.100 12.593 1.00 2.50 O ATOM 1625 OE2 GLU A 121 4.306 -1.632 11.130 1.00 2.57 O ATOM 0 H GLU A 121 8.783 -1.486 8.157 1.00 0.56 H new ATOM 0 HA GLU A 121 8.811 -3.691 9.918 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.910 -1.427 10.402 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.649 -1.664 9.209 1.00 0.71 H new ATOM 0 HG2 GLU A 121 5.796 -3.599 10.566 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.000 -3.233 11.785 1.00 1.18 H new ATOM 1632 N PHE A 122 6.925 -3.982 7.280 1.00 0.65 N ATOM 1633 CA PHE A 122 6.080 -4.879 6.507 1.00 0.76 C ATOM 1634 C PHE A 122 6.900 -6.028 5.917 1.00 0.78 C ATOM 1635 O PHE A 122 6.384 -7.121 5.686 1.00 0.89 O ATOM 1636 CB PHE A 122 5.396 -4.081 5.393 1.00 0.86 C ATOM 1637 CG PHE A 122 4.366 -4.846 4.616 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.174 -5.226 5.210 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.581 -5.164 3.285 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.216 -5.911 4.489 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.628 -5.851 2.562 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.444 -6.224 3.164 1.00 3.02 C ATOM 0 H PHE A 122 7.197 -3.134 6.782 1.00 0.65 H new ATOM 0 HA PHE A 122 5.325 -5.314 7.162 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.922 -3.203 5.832 1.00 0.86 H new ATOM 0 HB3 PHE A 122 6.158 -3.720 4.703 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.992 -4.984 6.247 1.00 2.24 H new ATOM 0 HD2 PHE A 122 5.505 -4.871 2.808 1.00 1.98 H new ATOM 0 HE1 PHE A 122 1.289 -6.202 4.961 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.809 -6.097 1.526 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.696 -6.760 2.599 1.00 3.02 H new ATOM 1652 N SER A 123 8.184 -5.777 5.693 1.00 0.72 N ATOM 1653 CA SER A 123 9.063 -6.765 5.084 1.00 0.79 C ATOM 1654 C SER A 123 9.491 -7.821 6.098 1.00 0.81 C ATOM 1655 O SER A 123 9.585 -9.006 5.774 1.00 1.02 O ATOM 1656 CB SER A 123 10.305 -6.089 4.502 1.00 0.82 C ATOM 1657 OG SER A 123 9.957 -5.021 3.640 1.00 1.40 O ATOM 0 H SER A 123 8.640 -4.895 5.925 1.00 0.72 H new ATOM 0 HA SER A 123 8.506 -7.253 4.284 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.931 -5.715 5.312 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.897 -6.822 3.954 1.00 0.82 H new ATOM 0 HG SER A 123 9.681 -4.247 4.174 1.00 1.40 H new ATOM 1663 N GLU A 124 9.748 -7.394 7.328 1.00 0.80 N ATOM 1664 CA GLU A 124 10.236 -8.304 8.350 1.00 1.00 C ATOM 1665 C GLU A 124 9.279 -8.354 9.534 1.00 1.48 C ATOM 1666 O GLU A 124 8.937 -7.319 10.113 1.00 2.09 O ATOM 1667 CB GLU A 124 11.635 -7.889 8.809 1.00 1.88 C ATOM 1668 CG GLU A 124 12.346 -8.965 9.610 1.00 2.61 C ATOM 1669 CD GLU A 124 12.416 -10.280 8.860 1.00 3.54 C ATOM 1670 OE1 GLU A 124 13.381 -10.486 8.094 1.00 4.12 O ATOM 1671 OE2 GLU A 124 11.496 -11.106 9.020 1.00 4.14 O ATOM 0 H GLU A 124 9.627 -6.430 7.638 1.00 0.80 H new ATOM 0 HA GLU A 124 10.293 -9.303 7.918 1.00 1.00 H new ATOM 0 HB2 GLU A 124 12.237 -7.638 7.936 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.559 -6.986 9.414 1.00 1.88 H new ATOM 0 HG2 GLU A 124 13.355 -8.631 9.850 1.00 2.61 H new ATOM 0 HG3 GLU A 124 11.826 -9.115 10.556 1.00 2.61 H new ATOM 1678 N GLU A 125 8.856 -9.563 9.883 1.00 2.33 N ATOM 1679 CA GLU A 125 7.909 -9.764 10.968 1.00 3.47 C ATOM 1680 C GLU A 125 8.599 -9.626 12.324 1.00 4.34 C ATOM 1681 O GLU A 125 9.492 -10.442 12.634 1.00 4.92 O ATOM 1682 CB GLU A 125 7.210 -11.127 10.840 1.00 4.25 C ATOM 1683 CG GLU A 125 8.157 -12.313 10.718 1.00 4.82 C ATOM 1684 CD GLU A 125 7.429 -13.638 10.615 1.00 5.68 C ATOM 1685 OE1 GLU A 125 7.212 -14.117 9.481 1.00 6.29 O ATOM 1686 OE2 GLU A 125 7.075 -14.211 11.665 1.00 6.07 O ATOM 1687 OXT GLU A 125 8.242 -8.697 13.078 1.00 4.84 O ATOM 0 H GLU A 125 9.158 -10.423 9.425 1.00 2.33 H new ATOM 0 HA GLU A 125 7.146 -8.989 10.899 1.00 3.47 H new ATOM 0 HB2 GLU A 125 6.571 -11.277 11.710 1.00 4.25 H new ATOM 0 HB3 GLU A 125 6.559 -11.107 9.966 1.00 4.25 H new ATOM 0 HG2 GLU A 125 8.787 -12.180 9.838 1.00 4.82 H new ATOM 0 HG3 GLU A 125 8.819 -12.334 11.584 1.00 4.82 H new TER 1694 GLU A 125