USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 712 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 1 MET CE :methyl -147:sc= -0.23 (180deg=-1.31) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -83:sc= 0.904 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.072 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0359) USER MOD Single : A 23 MET CE :methyl -167:sc= -2.73 (180deg=-3.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 72:sc= 0.597 USER MOD Single : A 34 MET CE :methyl 165:sc= -0.517 (180deg=-0.667) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.178 F(o=-2.6!,f=-0.18) USER MOD Single : B 101 MET CE :methyl -142:sc= -0.298 (180deg=-1.92) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 ASN : amide:sc= -5.06! C(o=-5.1!,f=-5.8!) USER MOD Single : B 113 LYS NZ :NH3+ -169:sc=-0.00336 (180deg=-0.118) USER MOD Single : B 116 SER OG : rot -82:sc= 0.857 USER MOD Single : B 117 TYR OH : rot 180:sc= -0.0435 USER MOD Single : B 122 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.429) USER MOD Single : B 123 MET CE :methyl -152:sc= -2.11! (180deg=-3.15!) USER MOD Single : B 126 THR OG1 : rot 89:sc= 0.117 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 134 MET CE :methyl 156:sc= -0.538 (180deg=-0.752) USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD Single : B 141 ASN :FLIP amide:sc= -0.0389 F(o=-1.8!,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.997 13.279 11.285 1.00 0.00 N ATOM 2 CA MET A 1 -2.448 11.982 10.850 1.00 0.00 C ATOM 3 C MET A 1 -2.693 10.907 11.892 1.00 0.00 C ATOM 4 O MET A 1 -2.449 11.124 13.088 1.00 0.00 O ATOM 5 CB MET A 1 -0.962 12.118 10.550 1.00 0.00 C ATOM 6 CG MET A 1 -0.204 10.804 10.443 1.00 0.00 C ATOM 7 SD MET A 1 1.542 11.016 9.989 1.00 0.00 S ATOM 8 CE MET A 1 1.370 11.799 8.385 1.00 0.00 C ATOM 0 H1 MET A 1 -2.815 13.996 10.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.022 13.189 11.435 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.541 13.568 12.174 1.00 0.00 H new ATOM 0 HA MET A 1 -2.962 11.679 9.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.844 12.665 9.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.503 12.722 11.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.263 10.280 11.397 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.691 10.171 9.701 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.190 11.487 7.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.422 11.504 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.394 12.882 8.504 1.00 0.00 H new ATOM 18 N GLY A 2 -3.161 9.753 11.455 1.00 0.00 N ATOM 19 CA GLY A 2 -3.415 8.651 12.348 1.00 0.00 C ATOM 20 C GLY A 2 -2.516 7.477 12.034 1.00 0.00 C ATOM 21 O GLY A 2 -1.978 7.384 10.936 1.00 0.00 O ATOM 0 H GLY A 2 -3.373 9.559 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.256 8.970 13.378 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.458 8.346 12.267 1.00 0.00 H new ATOM 25 N SER A 3 -2.375 6.587 12.997 1.00 0.00 N ATOM 26 CA SER A 3 -1.562 5.387 12.835 1.00 0.00 C ATOM 27 C SER A 3 -2.427 4.125 12.868 1.00 0.00 C ATOM 28 O SER A 3 -3.395 4.048 13.623 1.00 0.00 O ATOM 29 CB SER A 3 -0.498 5.335 13.935 1.00 0.00 C ATOM 30 OG SER A 3 -1.071 5.594 15.209 1.00 0.00 O ATOM 0 H SER A 3 -2.817 6.670 13.912 1.00 0.00 H new ATOM 0 HA SER A 3 -1.073 5.428 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.021 4.355 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.282 6.068 13.727 1.00 0.00 H new ATOM 0 HG SER A 3 -0.373 5.554 15.896 1.00 0.00 H new ATOM 36 N ILE A 4 -2.068 3.159 12.028 1.00 0.00 N ATOM 37 CA ILE A 4 -2.762 1.878 11.954 1.00 0.00 C ATOM 38 C ILE A 4 -1.761 0.742 12.023 1.00 0.00 C ATOM 39 O ILE A 4 -0.544 0.967 11.934 1.00 0.00 O ATOM 40 CB ILE A 4 -3.598 1.784 10.647 1.00 0.00 C ATOM 41 CG1 ILE A 4 -2.692 1.775 9.389 1.00 0.00 C ATOM 42 CG2 ILE A 4 -4.611 2.927 10.573 1.00 0.00 C ATOM 43 CD1 ILE A 4 -2.422 0.396 8.813 1.00 0.00 C ATOM 0 H ILE A 4 -1.286 3.243 11.378 1.00 0.00 H new ATOM 0 HA ILE A 4 -3.443 1.800 12.802 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.140 0.839 10.669 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.156 2.391 8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.740 2.242 9.640 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.187 2.844 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.285 2.872 11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.084 3.881 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.781 0.487 7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.927 -0.221 9.563 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.365 -0.069 8.526 1.00 0.00 H new ATOM 55 N ASN A 5 -2.272 -0.474 12.164 1.00 0.00 N ATOM 56 CA ASN A 5 -1.423 -1.668 12.227 1.00 0.00 C ATOM 57 C ASN A 5 -1.525 -2.437 10.912 1.00 0.00 C ATOM 58 O ASN A 5 -2.626 -2.674 10.390 1.00 0.00 O ATOM 59 CB ASN A 5 -1.848 -2.554 13.396 1.00 0.00 C ATOM 60 CG ASN A 5 -0.933 -3.756 13.562 1.00 0.00 C ATOM 61 OD1 ASN A 5 0.068 -3.706 14.273 1.00 0.00 O ATOM 62 ND2 ASN A 5 -1.280 -4.864 12.927 1.00 0.00 N ATOM 0 H ASN A 5 -3.271 -0.665 12.237 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.387 -1.366 12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.846 -1.967 14.315 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.871 -2.896 13.238 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.711 -5.705 13.021 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.116 -4.877 12.343 1.00 0.00 H new ATOM 69 N LEU A 6 -0.371 -2.804 10.381 1.00 0.00 N ATOM 70 CA LEU A 6 -0.260 -3.592 9.153 1.00 0.00 C ATOM 71 C LEU A 6 0.338 -4.955 9.527 1.00 0.00 C ATOM 72 O LEU A 6 1.178 -5.009 10.417 1.00 0.00 O ATOM 73 CB LEU A 6 0.587 -2.787 8.144 1.00 0.00 C ATOM 74 CG LEU A 6 0.800 -3.402 6.747 1.00 0.00 C ATOM 75 CD1 LEU A 6 1.939 -4.414 6.761 1.00 0.00 C ATOM 76 CD2 LEU A 6 -0.495 -4.031 6.220 1.00 0.00 C ATOM 0 H LEU A 6 0.531 -2.563 10.792 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.221 -3.783 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.119 -1.811 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.567 -2.614 8.589 1.00 0.00 H new ATOM 0 HG LEU A 6 1.080 -2.598 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.067 -4.832 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.861 -3.920 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.705 -5.215 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.317 -4.458 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.821 -4.817 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.269 -3.266 6.151 1.00 0.00 H new ATOM 88 N ARG A 7 -0.063 -6.050 8.859 1.00 0.00 N ATOM 89 CA ARG A 7 0.423 -7.377 9.225 1.00 0.00 C ATOM 90 C ARG A 7 0.737 -8.142 7.947 1.00 0.00 C ATOM 91 O ARG A 7 -0.152 -8.353 7.117 1.00 0.00 O ATOM 92 CB ARG A 7 -0.611 -8.157 10.040 1.00 0.00 C ATOM 93 CG ARG A 7 -0.827 -7.589 11.427 1.00 0.00 C ATOM 94 CD ARG A 7 -1.566 -8.592 12.306 1.00 0.00 C ATOM 95 NE ARG A 7 -2.848 -9.011 11.720 1.00 0.00 N ATOM 96 CZ ARG A 7 -3.361 -10.224 11.832 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.710 -11.155 12.503 1.00 0.00 N ATOM 98 NH2 ARG A 7 -4.521 -10.507 11.245 1.00 0.00 N ATOM 0 H ARG A 7 -0.714 -6.037 8.074 1.00 0.00 H new ATOM 0 HA ARG A 7 1.313 -7.262 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.560 -8.160 9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.289 -9.195 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.134 -7.340 11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.398 -6.663 11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.937 -9.468 12.461 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.745 -8.150 13.286 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.378 -8.318 11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.812 -10.938 12.935 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.105 -12.091 12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.011 -9.789 10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.920 -11.442 11.329 1.00 0.00 H new ATOM 112 N ILE A 8 1.994 -8.555 7.776 1.00 0.00 N ATOM 113 CA ILE A 8 2.410 -9.311 6.579 1.00 0.00 C ATOM 114 C ILE A 8 3.469 -10.330 6.936 1.00 0.00 C ATOM 115 O ILE A 8 3.985 -10.335 8.055 1.00 0.00 O ATOM 116 CB ILE A 8 2.996 -8.417 5.436 1.00 0.00 C ATOM 117 CG1 ILE A 8 4.395 -7.860 5.810 1.00 0.00 C ATOM 118 CG2 ILE A 8 2.041 -7.295 5.059 1.00 0.00 C ATOM 119 CD1 ILE A 8 4.448 -7.066 7.101 1.00 0.00 C ATOM 0 H ILE A 8 2.744 -8.383 8.445 1.00 0.00 H new ATOM 0 HA ILE A 8 1.498 -9.783 6.214 1.00 0.00 H new ATOM 0 HB ILE A 8 3.118 -9.053 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.092 -8.694 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.745 -7.225 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.481 -6.695 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.098 -7.720 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.858 -6.665 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.467 -6.720 7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.781 -6.207 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.134 -7.699 7.931 1.00 0.00 H new ATOM 131 N ASP A 9 3.805 -11.190 5.986 1.00 0.00 N ATOM 132 CA ASP A 9 4.883 -12.135 6.168 1.00 0.00 C ATOM 133 C ASP A 9 6.182 -11.390 6.427 1.00 0.00 C ATOM 134 O ASP A 9 6.563 -10.504 5.673 1.00 0.00 O ATOM 135 CB ASP A 9 5.033 -13.025 4.919 1.00 0.00 C ATOM 136 CG ASP A 9 3.820 -13.908 4.684 1.00 0.00 C ATOM 137 OD1 ASP A 9 3.612 -14.871 5.426 1.00 0.00 O ATOM 138 OD2 ASP A 9 3.057 -13.619 3.734 1.00 0.00 O ATOM 0 H ASP A 9 3.341 -11.248 5.080 1.00 0.00 H new ATOM 0 HA ASP A 9 4.653 -12.769 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.194 -12.394 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.919 -13.651 5.027 1.00 0.00 H new ATOM 143 N ASP A 10 6.874 -11.765 7.519 1.00 0.00 N ATOM 144 CA ASP A 10 8.110 -11.111 7.927 1.00 0.00 C ATOM 145 C ASP A 10 9.106 -11.108 6.774 1.00 0.00 C ATOM 146 O ASP A 10 9.835 -10.135 6.572 1.00 0.00 O ATOM 147 CB ASP A 10 8.719 -11.822 9.137 1.00 0.00 C ATOM 148 CG ASP A 10 7.839 -11.788 10.370 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.917 -12.649 10.483 1.00 0.00 O ATOM 150 OD2 ASP A 10 8.053 -10.926 11.246 1.00 0.00 O ATOM 0 H ASP A 10 6.586 -12.526 8.133 1.00 0.00 H new ATOM 0 HA ASP A 10 7.881 -10.082 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.920 -12.860 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.678 -11.361 9.373 1.00 0.00 H new ATOM 155 N GLU A 11 9.121 -12.203 6.016 1.00 0.00 N ATOM 156 CA GLU A 11 10.045 -12.339 4.907 1.00 0.00 C ATOM 157 C GLU A 11 9.804 -11.255 3.862 1.00 0.00 C ATOM 158 O GLU A 11 10.745 -10.730 3.276 1.00 0.00 O ATOM 159 CB GLU A 11 9.924 -13.727 4.249 1.00 0.00 C ATOM 160 CG GLU A 11 8.574 -14.009 3.600 1.00 0.00 C ATOM 161 CD GLU A 11 8.612 -15.250 2.730 1.00 0.00 C ATOM 162 OE1 GLU A 11 9.152 -15.175 1.606 1.00 0.00 O ATOM 163 OE2 GLU A 11 8.116 -16.313 3.156 1.00 0.00 O ATOM 0 H GLU A 11 8.503 -13.003 6.154 1.00 0.00 H new ATOM 0 HA GLU A 11 11.053 -12.228 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.703 -13.825 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.115 -14.490 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.818 -14.132 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.275 -13.152 2.997 1.00 0.00 H new ATOM 170 N LEU A 12 8.537 -10.893 3.664 1.00 0.00 N ATOM 171 CA LEU A 12 8.192 -9.947 2.626 1.00 0.00 C ATOM 172 C LEU A 12 8.531 -8.539 3.084 1.00 0.00 C ATOM 173 O LEU A 12 9.041 -7.721 2.321 1.00 0.00 O ATOM 174 CB LEU A 12 6.698 -10.038 2.291 1.00 0.00 C ATOM 175 CG LEU A 12 6.191 -8.985 1.277 1.00 0.00 C ATOM 176 CD1 LEU A 12 6.932 -9.108 -0.051 1.00 0.00 C ATOM 177 CD2 LEU A 12 4.685 -9.099 1.097 1.00 0.00 C ATOM 0 H LEU A 12 7.747 -11.241 4.207 1.00 0.00 H new ATOM 0 HA LEU A 12 8.765 -10.186 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.490 -11.032 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.127 -9.936 3.214 1.00 0.00 H new ATOM 0 HG LEU A 12 6.401 -7.992 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.558 -8.357 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.999 -8.953 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.770 -10.102 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.347 -8.351 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.437 -10.094 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.191 -8.934 2.054 1.00 0.00 H new ATOM 189 N LYS A 13 8.246 -8.286 4.364 1.00 0.00 N ATOM 190 CA LYS A 13 8.546 -6.988 4.965 1.00 0.00 C ATOM 191 C LYS A 13 10.018 -6.648 4.778 1.00 0.00 C ATOM 192 O LYS A 13 10.364 -5.495 4.516 1.00 0.00 O ATOM 193 CB LYS A 13 8.179 -6.993 6.468 1.00 0.00 C ATOM 194 CG LYS A 13 8.479 -5.682 7.203 1.00 0.00 C ATOM 195 CD LYS A 13 9.885 -5.644 7.815 1.00 0.00 C ATOM 196 CE LYS A 13 10.077 -6.738 8.856 1.00 0.00 C ATOM 197 NZ LYS A 13 11.416 -6.674 9.525 1.00 0.00 N ATOM 0 H LYS A 13 7.812 -8.957 4.998 1.00 0.00 H new ATOM 0 HA LYS A 13 7.948 -6.226 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.117 -7.215 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.722 -7.801 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.369 -4.849 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.741 -5.538 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.628 -5.758 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.055 -4.671 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.295 -6.657 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.960 -7.711 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.492 -7.441 10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.166 -6.779 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.521 -5.757 10.005 1.00 0.00 H new ATOM 211 N ALA A 14 10.875 -7.654 4.899 1.00 0.00 N ATOM 212 CA ALA A 14 12.307 -7.463 4.747 1.00 0.00 C ATOM 213 C ALA A 14 12.662 -6.943 3.355 1.00 0.00 C ATOM 214 O ALA A 14 13.322 -5.912 3.236 1.00 0.00 O ATOM 215 CB ALA A 14 13.038 -8.786 5.026 1.00 0.00 C ATOM 0 H ALA A 14 10.599 -8.614 5.103 1.00 0.00 H new ATOM 0 HA ALA A 14 12.628 -6.711 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.112 -8.640 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.823 -9.113 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.698 -9.545 4.322 1.00 0.00 H new ATOM 221 N ARG A 15 12.189 -7.626 2.308 1.00 0.00 N ATOM 222 CA ARG A 15 12.552 -7.262 0.939 1.00 0.00 C ATOM 223 C ARG A 15 11.977 -5.904 0.565 1.00 0.00 C ATOM 224 O ARG A 15 12.677 -5.059 -0.006 1.00 0.00 O ATOM 225 CB ARG A 15 12.040 -8.309 -0.081 1.00 0.00 C ATOM 226 CG ARG A 15 12.804 -9.640 -0.100 1.00 0.00 C ATOM 227 CD ARG A 15 12.518 -10.484 1.139 1.00 0.00 C ATOM 228 NE ARG A 15 13.064 -11.833 1.035 1.00 0.00 N ATOM 229 CZ ARG A 15 12.332 -12.957 1.146 1.00 0.00 C ATOM 230 NH1 ARG A 15 11.007 -12.875 1.264 1.00 0.00 N ATOM 231 NH2 ARG A 15 12.908 -14.143 1.122 1.00 0.00 N ATOM 0 H ARG A 15 11.560 -8.426 2.382 1.00 0.00 H new ATOM 0 HA ARG A 15 13.641 -7.225 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.991 -8.515 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.083 -7.871 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.529 -10.202 -0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.874 -9.442 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.940 -9.992 2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.441 -10.543 1.294 1.00 0.00 H new ATOM 0 HE ARG A 15 14.065 -11.931 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.551 -11.963 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.449 -13.725 1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.920 -14.216 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.341 -14.987 1.207 1.00 0.00 H new ATOM 245 N SER A 16 10.704 -5.681 0.867 1.00 0.00 N ATOM 246 CA SER A 16 10.018 -4.422 0.560 1.00 0.00 C ATOM 247 C SER A 16 10.701 -3.244 1.232 1.00 0.00 C ATOM 248 O SER A 16 11.093 -2.269 0.562 1.00 0.00 O ATOM 249 CB SER A 16 8.555 -4.533 1.017 1.00 0.00 C ATOM 250 OG SER A 16 8.464 -4.994 2.353 1.00 0.00 O ATOM 0 H SER A 16 10.112 -6.368 1.334 1.00 0.00 H new ATOM 0 HA SER A 16 10.057 -4.246 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.071 -3.560 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.017 -5.215 0.358 1.00 0.00 H new ATOM 0 HG SER A 16 8.533 -5.971 2.367 1.00 0.00 H new ATOM 256 N TYR A 17 10.862 -3.335 2.550 1.00 0.00 N ATOM 257 CA TYR A 17 11.534 -2.279 3.317 1.00 0.00 C ATOM 258 C TYR A 17 12.942 -2.024 2.791 1.00 0.00 C ATOM 259 O TYR A 17 13.373 -0.876 2.691 1.00 0.00 O ATOM 260 CB TYR A 17 11.582 -2.641 4.820 1.00 0.00 C ATOM 261 CG TYR A 17 10.298 -2.324 5.559 1.00 0.00 C ATOM 262 CD1 TYR A 17 9.060 -2.593 5.001 1.00 0.00 C ATOM 263 CD2 TYR A 17 10.333 -1.731 6.826 1.00 0.00 C ATOM 264 CE1 TYR A 17 7.880 -2.299 5.671 1.00 0.00 C ATOM 265 CE2 TYR A 17 9.152 -1.429 7.495 1.00 0.00 C ATOM 266 CZ TYR A 17 7.940 -1.716 6.921 1.00 0.00 C ATOM 267 OH TYR A 17 6.771 -1.413 7.593 1.00 0.00 O ATOM 0 H TYR A 17 10.539 -4.124 3.111 1.00 0.00 H new ATOM 0 HA TYR A 17 10.955 -1.363 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.798 -3.704 4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 17 12.405 -2.102 5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.011 -3.043 4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.283 -1.506 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.925 -2.524 5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 17 9.189 -0.967 8.470 1.00 0.00 H new ATOM 0 HH TYR A 17 6.987 -1.009 8.459 1.00 0.00 H new ATOM 277 N ALA A 18 13.633 -3.106 2.427 1.00 0.00 N ATOM 278 CA ALA A 18 14.996 -2.999 1.898 1.00 0.00 C ATOM 279 C ALA A 18 15.019 -2.191 0.603 1.00 0.00 C ATOM 280 O ALA A 18 15.894 -1.341 0.395 1.00 0.00 O ATOM 281 CB ALA A 18 15.586 -4.386 1.681 1.00 0.00 C ATOM 0 H ALA A 18 13.276 -4.059 2.488 1.00 0.00 H new ATOM 0 HA ALA A 18 15.608 -2.471 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.598 -4.293 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.613 -4.923 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.970 -4.936 0.970 1.00 0.00 H new ATOM 287 N ALA A 19 14.049 -2.453 -0.261 1.00 0.00 N ATOM 288 CA ALA A 19 13.965 -1.795 -1.567 1.00 0.00 C ATOM 289 C ALA A 19 13.684 -0.299 -1.422 1.00 0.00 C ATOM 290 O ALA A 19 14.264 0.520 -2.143 1.00 0.00 O ATOM 291 CB ALA A 19 12.887 -2.453 -2.412 1.00 0.00 C ATOM 0 H ALA A 19 13.300 -3.122 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 19 14.929 -1.906 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.831 -1.957 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.130 -3.506 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.925 -2.368 -1.906 1.00 0.00 H new ATOM 297 N LEU A 20 12.803 0.062 -0.496 1.00 0.00 N ATOM 298 CA LEU A 20 12.385 1.452 -0.357 1.00 0.00 C ATOM 299 C LEU A 20 13.444 2.277 0.372 1.00 0.00 C ATOM 300 O LEU A 20 13.666 3.442 0.032 1.00 0.00 O ATOM 301 CB LEU A 20 11.000 1.538 0.320 1.00 0.00 C ATOM 302 CG LEU A 20 10.842 0.807 1.669 1.00 0.00 C ATOM 303 CD1 LEU A 20 11.409 1.620 2.825 1.00 0.00 C ATOM 304 CD2 LEU A 20 9.371 0.480 1.900 1.00 0.00 C ATOM 0 H LEU A 20 12.368 -0.582 0.164 1.00 0.00 H new ATOM 0 HA LEU A 20 12.284 1.886 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.761 2.590 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.258 1.140 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 20 11.414 -0.120 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.277 1.069 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.471 1.800 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.885 2.574 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.258 -0.037 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.791 1.403 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.010 -0.160 1.095 1.00 0.00 H new ATOM 316 N GLU A 21 14.133 1.672 1.331 1.00 0.00 N ATOM 317 CA GLU A 21 15.220 2.361 2.031 1.00 0.00 C ATOM 318 C GLU A 21 16.408 2.513 1.092 1.00 0.00 C ATOM 319 O GLU A 21 17.263 3.377 1.270 1.00 0.00 O ATOM 320 CB GLU A 21 15.627 1.610 3.306 1.00 0.00 C ATOM 321 CG GLU A 21 16.151 0.201 3.056 1.00 0.00 C ATOM 322 CD GLU A 21 16.737 -0.445 4.303 1.00 0.00 C ATOM 323 OE1 GLU A 21 15.967 -0.873 5.183 1.00 0.00 O ATOM 324 OE2 GLU A 21 17.976 -0.498 4.412 1.00 0.00 O ATOM 0 H GLU A 21 13.964 0.716 1.643 1.00 0.00 H new ATOM 0 HA GLU A 21 14.871 3.348 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.394 2.185 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.766 1.553 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.339 -0.421 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.914 0.236 2.279 1.00 0.00 H new ATOM 331 N LYS A 22 16.451 1.639 0.098 1.00 0.00 N ATOM 332 CA LYS A 22 17.484 1.679 -0.926 1.00 0.00 C ATOM 333 C LYS A 22 17.307 2.939 -1.756 1.00 0.00 C ATOM 334 O LYS A 22 18.232 3.726 -1.930 1.00 0.00 O ATOM 335 CB LYS A 22 17.381 0.428 -1.816 1.00 0.00 C ATOM 336 CG LYS A 22 18.708 -0.018 -2.434 1.00 0.00 C ATOM 337 CD LYS A 22 19.666 -0.539 -1.354 1.00 0.00 C ATOM 338 CE LYS A 22 19.163 -1.812 -0.687 1.00 0.00 C ATOM 339 NZ LYS A 22 19.166 -2.973 -1.621 1.00 0.00 N ATOM 0 H LYS A 22 15.774 0.885 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 22 18.470 1.691 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.976 -0.392 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.669 0.624 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.526 -0.799 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.168 0.818 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 22 20.642 -0.729 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.807 0.232 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.788 -2.040 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.152 -1.650 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.914 -3.838 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.473 -2.810 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.113 -3.082 -2.036 1.00 0.00 H new ATOM 353 N MET A 23 16.089 3.119 -2.295 1.00 0.00 N ATOM 354 CA MET A 23 15.739 4.322 -3.027 1.00 0.00 C ATOM 355 C MET A 23 15.841 5.546 -2.128 1.00 0.00 C ATOM 356 O MET A 23 16.013 6.678 -2.616 1.00 0.00 O ATOM 357 CB MET A 23 14.316 4.218 -3.592 1.00 0.00 C ATOM 358 CG MET A 23 14.127 3.100 -4.614 1.00 0.00 C ATOM 359 SD MET A 23 12.482 3.117 -5.357 1.00 0.00 S ATOM 360 CE MET A 23 11.455 2.982 -3.898 1.00 0.00 C ATOM 0 H MET A 23 15.335 2.435 -2.230 1.00 0.00 H new ATOM 0 HA MET A 23 16.442 4.427 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.621 4.062 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 23 14.052 5.168 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.878 3.198 -5.398 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.294 2.138 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.432 2.748 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 23 11.838 2.189 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 23 11.469 3.927 -3.355 1.00 0.00 H new ATOM 370 N GLY A 24 15.716 5.339 -0.816 1.00 0.00 N ATOM 371 CA GLY A 24 15.863 6.418 0.144 1.00 0.00 C ATOM 372 C GLY A 24 14.527 6.925 0.639 1.00 0.00 C ATOM 373 O GLY A 24 14.453 7.949 1.333 1.00 0.00 O ATOM 0 H GLY A 24 15.513 4.430 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.455 6.071 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.414 7.239 -0.315 1.00 0.00 H new ATOM 377 N VAL A 25 13.452 6.214 0.295 1.00 0.00 N ATOM 378 CA VAL A 25 12.110 6.616 0.688 1.00 0.00 C ATOM 379 C VAL A 25 11.665 5.871 1.952 1.00 0.00 C ATOM 380 O VAL A 25 11.942 4.688 2.122 1.00 0.00 O ATOM 381 CB VAL A 25 11.084 6.375 -0.460 1.00 0.00 C ATOM 382 CG1 VAL A 25 10.931 4.892 -0.784 1.00 0.00 C ATOM 383 CG2 VAL A 25 9.739 7.023 -0.146 1.00 0.00 C ATOM 0 H VAL A 25 13.490 5.356 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 25 12.141 7.685 0.901 1.00 0.00 H new ATOM 0 HB VAL A 25 11.480 6.856 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.207 4.768 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.893 4.487 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.583 4.360 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.045 6.837 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.336 6.598 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.873 8.097 -0.021 1.00 0.00 H new ATOM 393 N THR A 26 10.984 6.587 2.844 1.00 0.00 N ATOM 394 CA THR A 26 10.536 6.027 4.109 1.00 0.00 C ATOM 395 C THR A 26 9.387 5.035 3.891 1.00 0.00 C ATOM 396 O THR A 26 8.528 5.269 3.047 1.00 0.00 O ATOM 397 CB THR A 26 10.061 7.175 5.015 1.00 0.00 C ATOM 398 OG1 THR A 26 11.067 8.202 5.017 1.00 0.00 O ATOM 399 CG2 THR A 26 9.799 6.719 6.425 1.00 0.00 C ATOM 0 H THR A 26 10.730 7.566 2.708 1.00 0.00 H new ATOM 0 HA THR A 26 11.363 5.492 4.575 1.00 0.00 H new ATOM 0 HB THR A 26 9.118 7.554 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.777 8.943 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.466 7.566 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.026 5.951 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.715 6.310 6.851 1.00 0.00 H new ATOM 407 N PRO A 27 9.366 3.895 4.631 1.00 0.00 N ATOM 408 CA PRO A 27 8.304 2.885 4.490 1.00 0.00 C ATOM 409 C PRO A 27 6.911 3.489 4.615 1.00 0.00 C ATOM 410 O PRO A 27 6.034 3.236 3.797 1.00 0.00 O ATOM 411 CB PRO A 27 8.589 1.889 5.629 1.00 0.00 C ATOM 412 CG PRO A 27 9.571 2.574 6.533 1.00 0.00 C ATOM 413 CD PRO A 27 10.362 3.496 5.647 1.00 0.00 C ATOM 0 HA PRO A 27 8.313 2.418 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.674 1.636 6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.999 0.957 5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.059 3.129 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.221 1.851 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.748 4.355 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.219 2.993 5.200 1.00 0.00 H new ATOM 421 N SER A 28 6.711 4.320 5.643 1.00 0.00 N ATOM 422 CA SER A 28 5.447 5.001 5.866 1.00 0.00 C ATOM 423 C SER A 28 5.049 5.843 4.661 1.00 0.00 C ATOM 424 O SER A 28 3.862 6.030 4.388 1.00 0.00 O ATOM 425 CB SER A 28 5.545 5.872 7.115 1.00 0.00 C ATOM 426 OG SER A 28 6.794 6.548 7.170 1.00 0.00 O ATOM 0 H SER A 28 7.425 4.534 6.339 1.00 0.00 H new ATOM 0 HA SER A 28 4.673 4.247 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.734 6.600 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.423 5.253 8.004 1.00 0.00 H new ATOM 0 HG SER A 28 6.812 7.257 6.493 1.00 0.00 H new ATOM 432 N GLU A 29 6.041 6.338 3.932 1.00 0.00 N ATOM 433 CA GLU A 29 5.816 7.143 2.756 1.00 0.00 C ATOM 434 C GLU A 29 5.404 6.277 1.575 1.00 0.00 C ATOM 435 O GLU A 29 4.448 6.611 0.861 1.00 0.00 O ATOM 436 CB GLU A 29 7.079 7.948 2.430 1.00 0.00 C ATOM 437 CG GLU A 29 7.121 9.289 3.138 1.00 0.00 C ATOM 438 CD GLU A 29 6.680 9.244 4.592 1.00 0.00 C ATOM 439 OE1 GLU A 29 7.429 8.725 5.427 1.00 0.00 O ATOM 440 OE2 GLU A 29 5.604 9.781 4.908 1.00 0.00 O ATOM 0 H GLU A 29 7.026 6.187 4.148 1.00 0.00 H new ATOM 0 HA GLU A 29 4.999 7.836 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.957 7.367 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.134 8.109 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.138 9.680 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.485 9.991 2.599 1.00 0.00 H new ATOM 447 N ALA A 30 6.104 5.172 1.354 1.00 0.00 N ATOM 448 CA ALA A 30 5.743 4.229 0.305 1.00 0.00 C ATOM 449 C ALA A 30 4.316 3.711 0.473 1.00 0.00 C ATOM 450 O ALA A 30 3.595 3.485 -0.504 1.00 0.00 O ATOM 451 CB ALA A 30 6.737 3.051 0.283 1.00 0.00 C ATOM 0 H ALA A 30 6.930 4.906 1.891 1.00 0.00 H new ATOM 0 HA ALA A 30 5.791 4.760 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.456 2.353 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.743 3.427 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.716 2.539 1.245 1.00 0.00 H new ATOM 457 N LEU A 31 3.910 3.511 1.717 1.00 0.00 N ATOM 458 CA LEU A 31 2.567 3.065 2.034 1.00 0.00 C ATOM 459 C LEU A 31 1.580 4.241 1.895 1.00 0.00 C ATOM 460 O LEU A 31 0.417 4.047 1.559 1.00 0.00 O ATOM 461 CB LEU A 31 2.531 2.472 3.445 1.00 0.00 C ATOM 462 CG LEU A 31 3.543 1.326 3.685 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.552 0.875 5.131 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.267 0.141 2.761 1.00 0.00 C ATOM 0 H LEU A 31 4.504 3.654 2.534 1.00 0.00 H new ATOM 0 HA LEU A 31 2.267 2.285 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.724 3.267 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.526 2.100 3.644 1.00 0.00 H new ATOM 0 HG LEU A 31 4.531 1.723 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.276 0.070 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.827 1.713 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.560 0.518 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.994 -0.648 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.262 -0.239 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.347 0.463 1.723 1.00 0.00 H new ATOM 476 N ARG A 32 2.072 5.462 2.121 1.00 0.00 N ATOM 477 CA ARG A 32 1.257 6.675 2.031 1.00 0.00 C ATOM 478 C ARG A 32 0.787 6.862 0.576 1.00 0.00 C ATOM 479 O ARG A 32 -0.418 7.093 0.328 1.00 0.00 O ATOM 480 CB ARG A 32 2.091 7.901 2.496 1.00 0.00 C ATOM 481 CG ARG A 32 1.301 9.193 2.746 1.00 0.00 C ATOM 482 CD ARG A 32 0.989 9.971 1.468 1.00 0.00 C ATOM 483 NE ARG A 32 0.304 11.230 1.762 1.00 0.00 N ATOM 484 CZ ARG A 32 -0.060 12.125 0.830 1.00 0.00 C ATOM 485 NH1 ARG A 32 0.175 11.891 -0.443 1.00 0.00 N ATOM 486 NH2 ARG A 32 -0.661 13.254 1.193 1.00 0.00 N ATOM 0 H ARG A 32 3.045 5.637 2.371 1.00 0.00 H new ATOM 0 HA ARG A 32 0.384 6.584 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.613 7.634 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.853 8.104 1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.366 8.947 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.869 9.832 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.915 10.176 0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.367 9.362 0.812 1.00 0.00 H new ATOM 0 HE ARG A 32 0.089 11.441 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.636 11.026 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.104 12.574 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.845 13.440 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.938 13.935 0.486 1.00 0.00 H new ATOM 500 N LEU A 33 1.727 6.769 -0.382 1.00 0.00 N ATOM 501 CA LEU A 33 1.390 6.917 -1.787 1.00 0.00 C ATOM 502 C LEU A 33 0.536 5.747 -2.271 1.00 0.00 C ATOM 503 O LEU A 33 -0.210 5.876 -3.255 1.00 0.00 O ATOM 504 CB LEU A 33 2.648 7.023 -2.622 1.00 0.00 C ATOM 505 CG LEU A 33 3.564 5.796 -2.596 1.00 0.00 C ATOM 506 CD1 LEU A 33 3.322 4.889 -3.802 1.00 0.00 C ATOM 507 CD2 LEU A 33 4.989 6.230 -2.506 1.00 0.00 C ATOM 0 H LEU A 33 2.715 6.593 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 33 0.811 7.834 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.361 7.219 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.218 7.887 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 33 3.329 5.205 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.989 4.029 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.287 4.546 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.516 5.444 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.636 5.353 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.237 6.846 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.136 6.808 -1.594 1.00 0.00 H new ATOM 519 N MET A 34 0.669 4.602 -1.609 1.00 0.00 N ATOM 520 CA MET A 34 -0.151 3.435 -1.939 1.00 0.00 C ATOM 521 C MET A 34 -1.622 3.727 -1.682 1.00 0.00 C ATOM 522 O MET A 34 -2.477 3.450 -2.520 1.00 0.00 O ATOM 523 CB MET A 34 0.288 2.215 -1.132 1.00 0.00 C ATOM 524 CG MET A 34 -0.705 1.053 -1.146 1.00 0.00 C ATOM 525 SD MET A 34 -2.116 1.314 -0.036 1.00 0.00 S ATOM 526 CE MET A 34 -3.144 -0.087 -0.458 1.00 0.00 C ATOM 0 H MET A 34 1.330 4.455 -0.847 1.00 0.00 H new ATOM 0 HA MET A 34 -0.014 3.217 -2.998 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.244 1.864 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.456 2.520 -0.099 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.071 0.907 -2.162 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.188 0.137 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.908 -0.221 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.622 0.090 -1.421 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.529 -0.985 -0.518 1.00 0.00 H new ATOM 536 N LEU A 35 -1.893 4.351 -0.535 1.00 0.00 N ATOM 537 CA LEU A 35 -3.265 4.693 -0.141 1.00 0.00 C ATOM 538 C LEU A 35 -3.848 5.674 -1.157 1.00 0.00 C ATOM 539 O LEU A 35 -5.073 5.732 -1.340 1.00 0.00 O ATOM 540 CB LEU A 35 -3.304 5.259 1.272 1.00 0.00 C ATOM 541 CG LEU A 35 -2.875 4.284 2.382 1.00 0.00 C ATOM 542 CD1 LEU A 35 -2.912 4.958 3.747 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.777 3.041 2.390 1.00 0.00 C ATOM 0 H LEU A 35 -1.181 4.631 0.140 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.875 3.790 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.659 6.136 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.318 5.599 1.482 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.850 3.977 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.604 4.246 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.233 5.811 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.925 5.300 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.457 2.364 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.810 3.342 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.705 2.533 1.428 1.00 0.00 H new ATOM 555 N GLU A 36 -2.984 6.434 -1.814 1.00 0.00 N ATOM 556 CA GLU A 36 -3.395 7.315 -2.878 1.00 0.00 C ATOM 557 C GLU A 36 -3.919 6.519 -4.076 1.00 0.00 C ATOM 558 O GLU A 36 -5.045 6.746 -4.537 1.00 0.00 O ATOM 559 CB GLU A 36 -2.229 8.213 -3.321 1.00 0.00 C ATOM 560 CG GLU A 36 -1.551 8.941 -2.178 1.00 0.00 C ATOM 561 CD GLU A 36 -0.669 10.097 -2.646 1.00 0.00 C ATOM 562 OE1 GLU A 36 -1.215 11.054 -3.219 1.00 0.00 O ATOM 563 OE2 GLU A 36 0.551 10.044 -2.413 1.00 0.00 O ATOM 0 H GLU A 36 -1.983 6.452 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.200 7.943 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.490 7.603 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.599 8.946 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.311 9.324 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.944 8.234 -1.613 1.00 0.00 H new ATOM 570 N TYR A 37 -3.128 5.576 -4.579 1.00 0.00 N ATOM 571 CA TYR A 37 -3.468 4.884 -5.840 1.00 0.00 C ATOM 572 C TYR A 37 -4.652 3.942 -5.663 1.00 0.00 C ATOM 573 O TYR A 37 -5.343 3.638 -6.621 1.00 0.00 O ATOM 574 CB TYR A 37 -2.246 4.131 -6.410 1.00 0.00 C ATOM 575 CG TYR A 37 -2.022 2.706 -5.898 1.00 0.00 C ATOM 576 CD1 TYR A 37 -2.851 1.656 -6.313 1.00 0.00 C ATOM 577 CD2 TYR A 37 -0.986 2.411 -5.027 1.00 0.00 C ATOM 578 CE1 TYR A 37 -2.651 0.368 -5.870 1.00 0.00 C ATOM 579 CE2 TYR A 37 -0.786 1.119 -4.570 1.00 0.00 C ATOM 580 CZ TYR A 37 -1.617 0.104 -4.987 1.00 0.00 C ATOM 581 OH TYR A 37 -1.403 -1.187 -4.538 1.00 0.00 O ATOM 0 H TYR A 37 -2.256 5.269 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.761 5.649 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.345 4.092 -7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.353 4.716 -6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.664 1.861 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.325 3.200 -4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.295 -0.430 -6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.023 0.908 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.638 -1.198 -3.926 1.00 0.00 H new ATOM 591 N ILE A 38 -4.872 3.452 -4.460 1.00 0.00 N ATOM 592 CA ILE A 38 -6.020 2.586 -4.212 1.00 0.00 C ATOM 593 C ILE A 38 -7.316 3.404 -4.201 1.00 0.00 C ATOM 594 O ILE A 38 -8.310 3.001 -4.796 1.00 0.00 O ATOM 595 CB ILE A 38 -5.897 1.770 -2.879 1.00 0.00 C ATOM 596 CG1 ILE A 38 -7.238 1.132 -2.470 1.00 0.00 C ATOM 597 CG2 ILE A 38 -5.366 2.638 -1.741 1.00 0.00 C ATOM 598 CD1 ILE A 38 -7.813 0.162 -3.499 1.00 0.00 C ATOM 0 H ILE A 38 -4.284 3.631 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.043 1.865 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.183 0.969 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.103 0.604 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.964 1.925 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.293 2.041 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.380 3.020 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.046 3.473 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.757 -0.241 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.984 0.687 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.109 -0.654 -3.663 1.00 0.00 H new ATOM 610 N ALA A 39 -7.283 4.569 -3.565 1.00 0.00 N ATOM 611 CA ALA A 39 -8.455 5.445 -3.514 1.00 0.00 C ATOM 612 C ALA A 39 -8.780 6.012 -4.901 1.00 0.00 C ATOM 613 O ALA A 39 -9.941 6.247 -5.241 1.00 0.00 O ATOM 614 CB ALA A 39 -8.206 6.573 -2.529 1.00 0.00 C ATOM 0 H ALA A 39 -6.463 4.931 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.312 4.859 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.080 7.224 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.022 6.157 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.337 7.149 -2.848 1.00 0.00 H new ATOM 620 N ASP A 40 -7.736 6.228 -5.692 1.00 0.00 N ATOM 621 CA ASP A 40 -7.874 6.813 -7.022 1.00 0.00 C ATOM 622 C ASP A 40 -8.294 5.759 -8.067 1.00 0.00 C ATOM 623 O ASP A 40 -9.204 5.986 -8.854 1.00 0.00 O ATOM 624 CB ASP A 40 -6.549 7.463 -7.430 1.00 0.00 C ATOM 625 CG ASP A 40 -6.599 8.113 -8.798 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.423 9.035 -8.997 1.00 0.00 O ATOM 627 OD2 ASP A 40 -5.840 7.693 -9.680 1.00 0.00 O ATOM 0 H ASP A 40 -6.775 6.005 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.660 7.567 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.276 8.214 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.764 6.707 -7.422 1.00 0.00 H new ATOM 632 N ASN A 41 -7.608 4.613 -8.051 1.00 0.00 N ATOM 633 CA ASN A 41 -7.798 3.589 -9.087 1.00 0.00 C ATOM 634 C ASN A 41 -8.938 2.633 -8.687 1.00 0.00 C ATOM 635 O ASN A 41 -9.689 2.167 -9.547 1.00 0.00 O ATOM 636 CB ASN A 41 -6.514 2.773 -9.328 1.00 0.00 C ATOM 637 CG ASN A 41 -5.347 3.595 -9.889 1.00 0.00 C ATOM 638 OD1 ASN A 41 -5.160 4.816 -9.402 1.00 0.00 O flip ATOM 639 ND2 ASN A 41 -4.610 3.105 -10.744 1.00 0.00 N flip ATOM 0 H ASN A 41 -6.920 4.370 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.053 4.107 -10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.204 2.317 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.737 1.960 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.788 2.163 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.821 3.641 -11.105 1.00 0.00 H new ATOM 646 N GLU A 42 -9.046 2.336 -7.389 1.00 0.00 N ATOM 647 CA GLU A 42 -10.047 1.389 -6.871 1.00 0.00 C ATOM 648 C GLU A 42 -9.968 0.033 -7.601 1.00 0.00 C ATOM 649 O GLU A 42 -11.000 -0.514 -7.994 1.00 0.00 O ATOM 650 CB GLU A 42 -11.464 1.981 -7.013 1.00 0.00 C ATOM 651 CG GLU A 42 -11.663 3.293 -6.278 1.00 0.00 C ATOM 652 CD GLU A 42 -13.010 3.939 -6.581 1.00 0.00 C ATOM 653 OE1 GLU A 42 -14.028 3.539 -5.993 1.00 0.00 O ATOM 654 OE2 GLU A 42 -13.056 4.855 -7.437 1.00 0.00 O ATOM 0 H GLU A 42 -8.448 2.740 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.831 1.219 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.678 2.133 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.188 1.256 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.581 3.120 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.864 3.983 -6.551 1.00 0.00 H new ATOM 661 N ARG A 43 -8.758 -0.493 -7.775 1.00 0.00 N ATOM 662 CA ARG A 43 -8.572 -1.780 -8.450 1.00 0.00 C ATOM 663 C ARG A 43 -7.442 -2.603 -7.840 1.00 0.00 C ATOM 664 O ARG A 43 -7.556 -3.836 -7.708 1.00 0.00 O ATOM 665 CB ARG A 43 -8.316 -1.572 -9.957 1.00 0.00 C ATOM 666 CG ARG A 43 -7.053 -0.773 -10.270 1.00 0.00 C ATOM 667 CD ARG A 43 -6.774 -0.716 -11.761 1.00 0.00 C ATOM 668 NE ARG A 43 -6.424 -2.038 -12.314 1.00 0.00 N ATOM 669 CZ ARG A 43 -6.139 -2.259 -13.591 1.00 0.00 C ATOM 670 NH1 ARG A 43 -6.268 -1.293 -14.493 1.00 0.00 N ATOM 671 NH2 ARG A 43 -5.741 -3.460 -13.983 1.00 0.00 N ATOM 0 H ARG A 43 -7.894 -0.052 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.496 -2.341 -8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.246 -2.546 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.174 -1.061 -10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.159 0.240 -9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.202 -1.223 -9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.652 -0.329 -12.278 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.959 -0.018 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.400 -2.832 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.589 -0.368 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.046 -1.476 -15.472 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.654 -4.215 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.522 -3.629 -14.965 1.00 0.00 H new ATOM 685 N LEU A 44 -6.334 -1.945 -7.459 1.00 0.00 N ATOM 686 CA LEU A 44 -5.119 -2.604 -6.942 1.00 0.00 C ATOM 687 C LEU A 44 -4.438 -3.427 -8.053 1.00 0.00 C ATOM 688 O LEU A 44 -5.108 -4.000 -8.917 1.00 0.00 O ATOM 689 CB LEU A 44 -5.433 -3.520 -5.744 1.00 0.00 C ATOM 690 CG LEU A 44 -5.871 -2.789 -4.468 1.00 0.00 C ATOM 691 CD1 LEU A 44 -6.289 -3.794 -3.377 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.762 -1.882 -3.958 1.00 0.00 C ATOM 0 H LEU A 44 -6.254 -0.929 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.444 -1.818 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.220 -4.216 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.548 -4.115 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.735 -2.171 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.595 -3.253 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.121 -4.398 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.446 -4.443 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.095 -1.374 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.878 -2.479 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.518 -1.142 -4.720 1.00 0.00 H new ATOM 812 N MET B 101 4.374 -13.913 10.504 1.00 0.00 N ATOM 813 CA MET B 101 3.821 -12.589 10.143 1.00 0.00 C ATOM 814 C MET B 101 4.028 -11.595 11.272 1.00 0.00 C ATOM 815 O MET B 101 3.750 -11.891 12.442 1.00 0.00 O ATOM 816 CB MET B 101 2.328 -12.723 9.802 1.00 0.00 C ATOM 817 CG MET B 101 1.593 -11.395 9.753 1.00 0.00 C ATOM 818 SD MET B 101 -0.098 -11.563 9.147 1.00 0.00 S ATOM 819 CE MET B 101 0.187 -12.243 7.511 1.00 0.00 C ATOM 0 HA MET B 101 4.349 -12.214 9.266 1.00 0.00 H new ATOM 0 HB2 MET B 101 2.228 -13.220 8.837 1.00 0.00 H new ATOM 0 HB3 MET B 101 1.851 -13.365 10.542 1.00 0.00 H new ATOM 0 HG2 MET B 101 1.576 -10.956 10.750 1.00 0.00 H new ATOM 0 HG3 MET B 101 2.139 -10.705 9.110 1.00 0.00 H new ATOM 0 HE1 MET B 101 -0.526 -11.812 6.809 1.00 0.00 H new ATOM 0 HE2 MET B 101 1.201 -12.005 7.190 1.00 0.00 H new ATOM 0 HE3 MET B 101 0.060 -13.325 7.540 1.00 0.00 H new ATOM 829 N GLY B 102 4.543 -10.421 10.923 1.00 0.00 N ATOM 830 CA GLY B 102 4.764 -9.372 11.889 1.00 0.00 C ATOM 831 C GLY B 102 3.868 -8.183 11.613 1.00 0.00 C ATOM 832 O GLY B 102 3.341 -8.026 10.504 1.00 0.00 O ATOM 0 H GLY B 102 4.814 -10.179 9.970 1.00 0.00 H new ATOM 0 HA2 GLY B 102 4.573 -9.751 12.893 1.00 0.00 H new ATOM 0 HA3 GLY B 102 5.808 -9.060 11.860 1.00 0.00 H new ATOM 836 N SER B 103 3.705 -7.351 12.628 1.00 0.00 N ATOM 837 CA SER B 103 2.902 -6.143 12.522 1.00 0.00 C ATOM 838 C SER B 103 3.768 -4.890 12.657 1.00 0.00 C ATOM 839 O SER B 103 4.725 -4.864 13.446 1.00 0.00 O ATOM 840 CB SER B 103 1.806 -6.156 13.584 1.00 0.00 C ATOM 841 OG SER B 103 2.331 -6.515 14.850 1.00 0.00 O ATOM 0 H SER B 103 4.124 -7.493 13.547 1.00 0.00 H new ATOM 0 HA SER B 103 2.441 -6.120 11.535 1.00 0.00 H new ATOM 0 HB2 SER B 103 1.342 -5.172 13.645 1.00 0.00 H new ATOM 0 HB3 SER B 103 1.025 -6.860 13.297 1.00 0.00 H new ATOM 0 HG SER B 103 1.611 -6.515 15.515 1.00 0.00 H new ATOM 847 N ILE B 104 3.432 -3.871 11.880 1.00 0.00 N ATOM 848 CA ILE B 104 4.134 -2.593 11.905 1.00 0.00 C ATOM 849 C ILE B 104 3.136 -1.447 12.018 1.00 0.00 C ATOM 850 O ILE B 104 1.932 -1.667 11.883 1.00 0.00 O ATOM 851 CB ILE B 104 4.999 -2.402 10.622 1.00 0.00 C ATOM 852 CG1 ILE B 104 4.121 -2.344 9.340 1.00 0.00 C ATOM 853 CG2 ILE B 104 6.037 -3.509 10.505 1.00 0.00 C ATOM 854 CD1 ILE B 104 3.813 -0.939 8.854 1.00 0.00 C ATOM 0 H ILE B 104 2.662 -3.906 11.212 1.00 0.00 H new ATOM 0 HA ILE B 104 4.793 -2.591 12.773 1.00 0.00 H new ATOM 0 HB ILE B 104 5.514 -1.446 10.714 1.00 0.00 H new ATOM 0 HG12 ILE B 104 4.627 -2.888 8.543 1.00 0.00 H new ATOM 0 HG13 ILE B 104 3.182 -2.862 9.534 1.00 0.00 H new ATOM 0 HG21 ILE B 104 6.630 -3.358 9.603 1.00 0.00 H new ATOM 0 HG22 ILE B 104 6.691 -3.489 11.377 1.00 0.00 H new ATOM 0 HG23 ILE B 104 5.534 -4.475 10.451 1.00 0.00 H new ATOM 0 HD11 ILE B 104 3.197 -0.991 7.956 1.00 0.00 H new ATOM 0 HD12 ILE B 104 3.277 -0.395 9.631 1.00 0.00 H new ATOM 0 HD13 ILE B 104 4.744 -0.421 8.625 1.00 0.00 H new ATOM 866 N ASN B 105 3.639 -0.241 12.254 1.00 0.00 N ATOM 867 CA ASN B 105 2.789 0.930 12.353 1.00 0.00 C ATOM 868 C ASN B 105 2.925 1.777 11.095 1.00 0.00 C ATOM 869 O ASN B 105 4.025 2.041 10.620 1.00 0.00 O ATOM 870 CB ASN B 105 3.176 1.766 13.580 1.00 0.00 C ATOM 871 CG ASN B 105 2.214 2.919 13.763 1.00 0.00 C ATOM 872 OD1 ASN B 105 1.357 2.884 14.619 1.00 0.00 O ATOM 873 ND2 ASN B 105 2.337 3.943 12.923 1.00 0.00 N ATOM 0 H ASN B 105 4.634 -0.053 12.380 1.00 0.00 H new ATOM 0 HA ASN B 105 1.755 0.602 12.459 1.00 0.00 H new ATOM 0 HB2 ASN B 105 3.173 1.138 14.471 1.00 0.00 H new ATOM 0 HB3 ASN B 105 4.190 2.147 13.462 1.00 0.00 H new ATOM 0 HD21 ASN B 105 1.697 4.735 12.987 1.00 0.00 H new ATOM 0 HD22 ASN B 105 3.071 3.937 12.215 1.00 0.00 H new ATOM 880 N LEU B 106 1.791 2.185 10.558 1.00 0.00 N ATOM 881 CA LEU B 106 1.725 3.054 9.378 1.00 0.00 C ATOM 882 C LEU B 106 1.119 4.397 9.832 1.00 0.00 C ATOM 883 O LEU B 106 0.255 4.391 10.701 1.00 0.00 O ATOM 884 CB LEU B 106 0.841 2.366 8.323 1.00 0.00 C ATOM 885 CG LEU B 106 1.172 2.643 6.846 1.00 0.00 C ATOM 886 CD1 LEU B 106 0.116 1.984 5.981 1.00 0.00 C ATOM 887 CD2 LEU B 106 1.278 4.138 6.539 1.00 0.00 C ATOM 0 H LEU B 106 0.876 1.925 10.925 1.00 0.00 H new ATOM 0 HA LEU B 106 2.706 3.233 8.938 1.00 0.00 H new ATOM 0 HB2 LEU B 106 0.895 1.290 8.486 1.00 0.00 H new ATOM 0 HB3 LEU B 106 -0.192 2.664 8.500 1.00 0.00 H new ATOM 0 HG LEU B 106 2.153 2.221 6.627 1.00 0.00 H new ATOM 0 HD11 LEU B 106 0.337 2.172 4.930 1.00 0.00 H new ATOM 0 HD12 LEU B 106 0.113 0.910 6.165 1.00 0.00 H new ATOM 0 HD13 LEU B 106 -0.863 2.396 6.225 1.00 0.00 H new ATOM 0 HD21 LEU B 106 1.513 4.277 5.484 1.00 0.00 H new ATOM 0 HD22 LEU B 106 0.329 4.624 6.767 1.00 0.00 H new ATOM 0 HD23 LEU B 106 2.067 4.579 7.148 1.00 0.00 H new ATOM 899 N ARG B 107 1.537 5.521 9.258 1.00 0.00 N ATOM 900 CA ARG B 107 1.050 6.839 9.676 1.00 0.00 C ATOM 901 C ARG B 107 0.771 7.675 8.428 1.00 0.00 C ATOM 902 O ARG B 107 1.681 7.924 7.628 1.00 0.00 O ATOM 903 CB ARG B 107 2.068 7.568 10.566 1.00 0.00 C ATOM 904 CG ARG B 107 2.259 6.938 11.945 1.00 0.00 C ATOM 905 CD ARG B 107 2.725 7.972 12.964 1.00 0.00 C ATOM 906 NE ARG B 107 3.040 7.380 14.274 1.00 0.00 N ATOM 907 CZ ARG B 107 3.522 8.080 15.314 1.00 0.00 C ATOM 908 NH1 ARG B 107 3.720 9.379 15.207 1.00 0.00 N ATOM 909 NH2 ARG B 107 3.769 7.458 16.465 1.00 0.00 N ATOM 0 H ARG B 107 2.216 5.549 8.497 1.00 0.00 H new ATOM 0 HA ARG B 107 0.141 6.702 10.261 1.00 0.00 H new ATOM 0 HB2 ARG B 107 3.030 7.592 10.054 1.00 0.00 H new ATOM 0 HB3 ARG B 107 1.748 8.602 10.693 1.00 0.00 H new ATOM 0 HG2 ARG B 107 1.321 6.493 12.277 1.00 0.00 H new ATOM 0 HG3 ARG B 107 2.990 6.132 11.881 1.00 0.00 H new ATOM 0 HD2 ARG B 107 3.608 8.482 12.579 1.00 0.00 H new ATOM 0 HD3 ARG B 107 1.949 8.728 13.089 1.00 0.00 H new ATOM 0 HE ARG B 107 2.883 6.380 14.399 1.00 0.00 H new ATOM 0 HH11 ARG B 107 3.507 9.857 14.331 1.00 0.00 H new ATOM 0 HH12 ARG B 107 4.086 9.906 16.000 1.00 0.00 H new ATOM 0 HH21 ARG B 107 3.592 6.457 16.552 1.00 0.00 H new ATOM 0 HH22 ARG B 107 4.135 7.982 17.260 1.00 0.00 H new ATOM 923 N ILE B 108 -0.471 8.114 8.255 1.00 0.00 N ATOM 924 CA ILE B 108 -0.858 8.931 7.091 1.00 0.00 C ATOM 925 C ILE B 108 -1.921 9.936 7.481 1.00 0.00 C ATOM 926 O ILE B 108 -2.475 9.876 8.592 1.00 0.00 O ATOM 927 CB ILE B 108 -1.407 8.092 5.890 1.00 0.00 C ATOM 928 CG1 ILE B 108 -2.784 7.470 6.217 1.00 0.00 C ATOM 929 CG2 ILE B 108 -0.423 7.009 5.468 1.00 0.00 C ATOM 930 CD1 ILE B 108 -2.797 6.541 7.424 1.00 0.00 C ATOM 0 H ILE B 108 -1.235 7.922 8.903 1.00 0.00 H new ATOM 0 HA ILE B 108 0.058 9.425 6.767 1.00 0.00 H new ATOM 0 HB ILE B 108 -1.534 8.780 5.054 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -3.499 8.275 6.389 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -3.132 6.915 5.346 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -0.838 6.446 4.632 1.00 0.00 H new ATOM 0 HG22 ILE B 108 0.517 7.470 5.165 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -0.243 6.335 6.305 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -3.805 6.154 7.574 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -2.112 5.711 7.252 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -2.484 7.092 8.311 1.00 0.00 H new ATOM 942 N ASP B 109 -2.237 10.838 6.570 1.00 0.00 N ATOM 943 CA ASP B 109 -3.301 11.800 6.789 1.00 0.00 C ATOM 944 C ASP B 109 -4.623 11.054 6.972 1.00 0.00 C ATOM 945 O ASP B 109 -4.989 10.210 6.140 1.00 0.00 O ATOM 946 CB ASP B 109 -3.400 12.777 5.608 1.00 0.00 C ATOM 947 CG ASP B 109 -3.709 14.198 6.034 1.00 0.00 C ATOM 948 OD1 ASP B 109 -4.775 14.418 6.668 1.00 0.00 O ATOM 949 OD2 ASP B 109 -2.887 15.096 5.767 1.00 0.00 O ATOM 0 H ASP B 109 -1.770 10.924 5.668 1.00 0.00 H new ATOM 0 HA ASP B 109 -3.081 12.378 7.687 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -2.460 12.766 5.056 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -4.176 12.433 4.924 1.00 0.00 H new ATOM 954 N ASP B 110 -5.335 11.358 8.051 1.00 0.00 N ATOM 955 CA ASP B 110 -6.592 10.679 8.381 1.00 0.00 C ATOM 956 C ASP B 110 -7.557 10.760 7.208 1.00 0.00 C ATOM 957 O ASP B 110 -8.284 9.794 6.918 1.00 0.00 O ATOM 958 CB ASP B 110 -7.212 11.310 9.636 1.00 0.00 C ATOM 959 CG ASP B 110 -7.625 12.759 9.438 1.00 0.00 C ATOM 960 OD1 ASP B 110 -6.764 13.652 9.590 1.00 0.00 O ATOM 961 OD2 ASP B 110 -8.812 13.012 9.169 1.00 0.00 O ATOM 0 H ASP B 110 -5.063 12.077 8.721 1.00 0.00 H new ATOM 0 HA ASP B 110 -6.387 9.628 8.584 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -8.084 10.728 9.934 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -6.495 11.252 10.455 1.00 0.00 H new ATOM 966 N GLU B 111 -7.552 11.897 6.513 1.00 0.00 N ATOM 967 CA GLU B 111 -8.446 12.111 5.388 1.00 0.00 C ATOM 968 C GLU B 111 -8.173 11.094 4.284 1.00 0.00 C ATOM 969 O GLU B 111 -9.106 10.607 3.644 1.00 0.00 O ATOM 970 CB GLU B 111 -8.308 13.525 4.831 1.00 0.00 C ATOM 971 CG GLU B 111 -6.904 13.851 4.316 1.00 0.00 C ATOM 972 CD GLU B 111 -6.829 15.228 3.667 1.00 0.00 C ATOM 973 OE1 GLU B 111 -6.625 16.218 4.402 1.00 0.00 O ATOM 974 OE2 GLU B 111 -6.974 15.323 2.433 1.00 0.00 O ATOM 0 H GLU B 111 -6.934 12.683 6.714 1.00 0.00 H new ATOM 0 HA GLU B 111 -9.466 11.981 5.750 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -9.023 13.657 4.019 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -8.575 14.240 5.609 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -6.196 13.803 5.143 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -6.600 13.094 3.593 1.00 0.00 H new ATOM 981 N LEU B 112 -6.904 10.731 4.095 1.00 0.00 N ATOM 982 CA LEU B 112 -6.515 9.846 3.019 1.00 0.00 C ATOM 983 C LEU B 112 -6.868 8.422 3.388 1.00 0.00 C ATOM 984 O LEU B 112 -7.370 7.657 2.559 1.00 0.00 O ATOM 985 CB LEU B 112 -5.009 9.967 2.761 1.00 0.00 C ATOM 986 CG LEU B 112 -4.439 9.056 1.641 1.00 0.00 C ATOM 987 CD1 LEU B 112 -4.998 9.441 0.283 1.00 0.00 C ATOM 988 CD2 LEU B 112 -2.919 9.104 1.624 1.00 0.00 C ATOM 0 H LEU B 112 -6.131 11.043 4.682 1.00 0.00 H new ATOM 0 HA LEU B 112 -7.048 10.124 2.110 1.00 0.00 H new ATOM 0 HB2 LEU B 112 -4.785 11.004 2.509 1.00 0.00 H new ATOM 0 HB3 LEU B 112 -4.482 9.743 3.688 1.00 0.00 H new ATOM 0 HG LEU B 112 -4.749 8.033 1.857 1.00 0.00 H new ATOM 0 HD11 LEU B 112 -4.581 8.786 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU B 112 -6.083 9.340 0.294 1.00 0.00 H new ATOM 0 HD13 LEU B 112 -4.732 10.474 0.060 1.00 0.00 H new ATOM 0 HD21 LEU B 112 -2.543 8.458 0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 112 -2.589 10.127 1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 112 -2.533 8.761 2.584 1.00 0.00 H new ATOM 1000 N LYS B 113 -6.622 8.072 4.641 1.00 0.00 N ATOM 1001 CA LYS B 113 -6.939 6.755 5.160 1.00 0.00 C ATOM 1002 C LYS B 113 -8.416 6.437 4.911 1.00 0.00 C ATOM 1003 O LYS B 113 -8.772 5.305 4.553 1.00 0.00 O ATOM 1004 CB LYS B 113 -6.607 6.650 6.662 1.00 0.00 C ATOM 1005 CG LYS B 113 -6.885 5.265 7.273 1.00 0.00 C ATOM 1006 CD LYS B 113 -8.298 5.163 7.844 1.00 0.00 C ATOM 1007 CE LYS B 113 -8.506 6.096 9.047 1.00 0.00 C ATOM 1008 NZ LYS B 113 -7.638 5.725 10.201 1.00 0.00 N ATOM 0 H LYS B 113 -6.196 8.696 5.326 1.00 0.00 H new ATOM 0 HA LYS B 113 -6.325 6.023 4.635 1.00 0.00 H new ATOM 0 HB2 LYS B 113 -5.555 6.895 6.808 1.00 0.00 H new ATOM 0 HB3 LYS B 113 -7.187 7.397 7.204 1.00 0.00 H new ATOM 0 HG2 LYS B 113 -6.746 4.498 6.511 1.00 0.00 H new ATOM 0 HG3 LYS B 113 -6.160 5.065 8.062 1.00 0.00 H new ATOM 0 HD2 LYS B 113 -9.021 5.409 7.066 1.00 0.00 H new ATOM 0 HD3 LYS B 113 -8.493 4.134 8.146 1.00 0.00 H new ATOM 0 HE2 LYS B 113 -8.294 7.123 8.750 1.00 0.00 H new ATOM 0 HE3 LYS B 113 -9.551 6.063 9.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 113 -7.938 6.253 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 113 -7.721 4.704 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 113 -6.649 5.958 9.980 1.00 0.00 H new ATOM 1022 N ALA B 114 -9.268 7.430 5.079 1.00 0.00 N ATOM 1023 CA ALA B 114 -10.703 7.264 4.873 1.00 0.00 C ATOM 1024 C ALA B 114 -11.014 6.812 3.441 1.00 0.00 C ATOM 1025 O ALA B 114 -11.682 5.796 3.239 1.00 0.00 O ATOM 1026 CB ALA B 114 -11.426 8.552 5.209 1.00 0.00 C ATOM 0 H ALA B 114 -8.992 8.371 5.360 1.00 0.00 H new ATOM 0 HA ALA B 114 -11.058 6.480 5.542 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -12.497 8.420 5.053 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -11.241 8.812 6.251 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -11.061 9.352 4.565 1.00 0.00 H new ATOM 1032 N ARG B 115 -10.509 7.564 2.457 1.00 0.00 N ATOM 1033 CA ARG B 115 -10.822 7.291 1.034 1.00 0.00 C ATOM 1034 C ARG B 115 -10.247 5.949 0.604 1.00 0.00 C ATOM 1035 O ARG B 115 -10.928 5.151 -0.037 1.00 0.00 O ATOM 1036 CB ARG B 115 -10.287 8.397 0.117 1.00 0.00 C ATOM 1037 CG ARG B 115 -11.117 9.689 0.137 1.00 0.00 C ATOM 1038 CD ARG B 115 -11.048 10.389 1.491 1.00 0.00 C ATOM 1039 NE ARG B 115 -11.886 11.586 1.541 1.00 0.00 N ATOM 1040 CZ ARG B 115 -11.973 12.392 2.594 1.00 0.00 C ATOM 1041 NH1 ARG B 115 -11.295 12.127 3.705 1.00 0.00 N ATOM 1042 NH2 ARG B 115 -12.788 13.453 2.552 1.00 0.00 N ATOM 0 H ARG B 115 -9.888 8.359 2.608 1.00 0.00 H new ATOM 0 HA ARG B 115 -11.908 7.263 0.942 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -9.263 8.632 0.409 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -10.248 8.019 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -10.757 10.364 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -12.156 9.457 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -11.361 9.696 2.272 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -10.015 10.663 1.704 1.00 0.00 H new ATOM 0 HE ARG B 115 -12.439 11.817 0.716 1.00 0.00 H new ATOM 0 HH11 ARG B 115 -10.701 11.299 3.755 1.00 0.00 H new ATOM 0 HH12 ARG B 115 -11.368 12.751 4.508 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -13.339 13.640 1.714 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -12.858 14.074 3.358 1.00 0.00 H new ATOM 1056 N SER B 116 -8.984 5.712 0.946 1.00 0.00 N ATOM 1057 CA SER B 116 -8.299 4.481 0.565 1.00 0.00 C ATOM 1058 C SER B 116 -9.012 3.250 1.130 1.00 0.00 C ATOM 1059 O SER B 116 -9.395 2.327 0.396 1.00 0.00 O ATOM 1060 CB SER B 116 -6.846 4.525 1.041 1.00 0.00 C ATOM 1061 OG SER B 116 -6.776 4.898 2.406 1.00 0.00 O ATOM 0 H SER B 116 -8.412 6.359 1.489 1.00 0.00 H new ATOM 0 HA SER B 116 -8.316 4.402 -0.522 1.00 0.00 H new ATOM 0 HB2 SER B 116 -6.383 3.548 0.902 1.00 0.00 H new ATOM 0 HB3 SER B 116 -6.281 5.234 0.436 1.00 0.00 H new ATOM 0 HG SER B 116 -6.833 5.873 2.482 1.00 0.00 H new ATOM 1067 N TYR B 117 -9.210 3.260 2.456 1.00 0.00 N ATOM 1068 CA TYR B 117 -9.897 2.164 3.137 1.00 0.00 C ATOM 1069 C TYR B 117 -11.291 1.946 2.553 1.00 0.00 C ATOM 1070 O TYR B 117 -11.721 0.813 2.369 1.00 0.00 O ATOM 1071 CB TYR B 117 -9.990 2.413 4.634 1.00 0.00 C ATOM 1072 CG TYR B 117 -8.709 2.110 5.399 1.00 0.00 C ATOM 1073 CD1 TYR B 117 -7.460 2.411 4.844 1.00 0.00 C ATOM 1074 CD2 TYR B 117 -8.739 1.515 6.650 1.00 0.00 C ATOM 1075 CE1 TYR B 117 -6.303 2.119 5.533 1.00 0.00 C ATOM 1076 CE2 TYR B 117 -7.579 1.220 7.343 1.00 0.00 C ATOM 1077 CZ TYR B 117 -6.354 1.529 6.776 1.00 0.00 C ATOM 1078 OH TYR B 117 -5.202 1.248 7.462 1.00 0.00 O ATOM 0 H TYR B 117 -8.904 4.013 3.072 1.00 0.00 H new ATOM 0 HA TYR B 117 -9.307 1.262 2.977 1.00 0.00 H new ATOM 0 HB2 TYR B 117 -10.262 3.455 4.801 1.00 0.00 H new ATOM 0 HB3 TYR B 117 -10.796 1.804 5.043 1.00 0.00 H new ATOM 0 HD1 TYR B 117 -7.403 2.875 3.870 1.00 0.00 H new ATOM 0 HD2 TYR B 117 -9.693 1.275 7.096 1.00 0.00 H new ATOM 0 HE1 TYR B 117 -5.345 2.356 5.093 1.00 0.00 H new ATOM 0 HE2 TYR B 117 -7.628 0.754 8.316 1.00 0.00 H new ATOM 0 HH TYR B 117 -5.426 0.834 8.322 1.00 0.00 H new ATOM 1088 N ALA B 118 -11.968 3.047 2.235 1.00 0.00 N ATOM 1089 CA ALA B 118 -13.320 2.995 1.665 1.00 0.00 C ATOM 1090 C ALA B 118 -13.310 2.264 0.320 1.00 0.00 C ATOM 1091 O ALA B 118 -14.170 1.421 0.030 1.00 0.00 O ATOM 1092 CB ALA B 118 -13.892 4.396 1.512 1.00 0.00 C ATOM 0 H ALA B 118 -11.604 3.991 2.362 1.00 0.00 H new ATOM 0 HA ALA B 118 -13.960 2.439 2.351 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -14.894 4.335 1.088 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -13.939 4.878 2.488 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -13.253 4.980 0.850 1.00 0.00 H new ATOM 1098 N ALA B 119 -12.323 2.594 -0.515 1.00 0.00 N ATOM 1099 CA ALA B 119 -12.184 2.004 -1.835 1.00 0.00 C ATOM 1100 C ALA B 119 -11.912 0.502 -1.781 1.00 0.00 C ATOM 1101 O ALA B 119 -12.473 -0.274 -2.572 1.00 0.00 O ATOM 1102 CB ALA B 119 -11.091 2.713 -2.613 1.00 0.00 C ATOM 0 H ALA B 119 -11.601 3.278 -0.289 1.00 0.00 H new ATOM 0 HA ALA B 119 -13.137 2.135 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.996 2.262 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -11.345 3.768 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -10.145 2.620 -2.079 1.00 0.00 H new ATOM 1108 N LEU B 120 -11.057 0.081 -0.854 1.00 0.00 N ATOM 1109 CA LEU B 120 -10.646 -1.323 -0.783 1.00 0.00 C ATOM 1110 C LEU B 120 -11.734 -2.192 -0.146 1.00 0.00 C ATOM 1111 O LEU B 120 -11.953 -3.326 -0.570 1.00 0.00 O ATOM 1112 CB LEU B 120 -9.273 -1.463 -0.073 1.00 0.00 C ATOM 1113 CG LEU B 120 -9.131 -0.791 1.290 1.00 0.00 C ATOM 1114 CD1 LEU B 120 -9.755 -1.634 2.393 1.00 0.00 C ATOM 1115 CD2 LEU B 120 -7.651 -0.498 1.584 1.00 0.00 C ATOM 0 H LEU B 120 -10.637 0.683 -0.146 1.00 0.00 H new ATOM 0 HA LEU B 120 -10.515 -1.694 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -9.060 -2.525 0.048 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -8.506 -1.057 -0.733 1.00 0.00 H new ATOM 0 HG LEU B 120 -9.672 0.155 1.263 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -9.636 -1.126 3.350 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -10.816 -1.776 2.187 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -9.260 -2.604 2.433 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -7.562 -0.019 2.559 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -7.089 -1.432 1.586 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -7.252 0.164 0.816 1.00 0.00 H new ATOM 1127 N GLU B 121 -12.449 -1.649 0.840 1.00 0.00 N ATOM 1128 CA GLU B 121 -13.562 -2.379 1.460 1.00 0.00 C ATOM 1129 C GLU B 121 -14.731 -2.461 0.474 1.00 0.00 C ATOM 1130 O GLU B 121 -15.581 -3.345 0.557 1.00 0.00 O ATOM 1131 CB GLU B 121 -14.007 -1.690 2.756 1.00 0.00 C ATOM 1132 CG GLU B 121 -14.523 -0.278 2.558 1.00 0.00 C ATOM 1133 CD GLU B 121 -15.093 0.353 3.821 1.00 0.00 C ATOM 1134 OE1 GLU B 121 -16.264 0.072 4.143 1.00 0.00 O ATOM 1135 OE2 GLU B 121 -14.378 1.125 4.495 1.00 0.00 O ATOM 0 H GLU B 121 -12.283 -0.719 1.224 1.00 0.00 H new ATOM 0 HA GLU B 121 -13.229 -3.386 1.709 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -14.788 -2.289 3.224 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -13.166 -1.665 3.449 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -13.711 0.346 2.186 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -15.295 -0.288 1.788 1.00 0.00 H new ATOM 1142 N LYS B 122 -14.742 -1.514 -0.468 1.00 0.00 N ATOM 1143 CA LYS B 122 -15.738 -1.490 -1.521 1.00 0.00 C ATOM 1144 C LYS B 122 -15.545 -2.703 -2.422 1.00 0.00 C ATOM 1145 O LYS B 122 -16.474 -3.478 -2.669 1.00 0.00 O ATOM 1146 CB LYS B 122 -15.589 -0.189 -2.311 1.00 0.00 C ATOM 1147 CG LYS B 122 -16.428 -0.069 -3.557 1.00 0.00 C ATOM 1148 CD LYS B 122 -16.029 1.154 -4.365 1.00 0.00 C ATOM 1149 CE LYS B 122 -16.819 1.284 -5.655 1.00 0.00 C ATOM 1150 NZ LYS B 122 -16.417 2.499 -6.428 1.00 0.00 N ATOM 0 H LYS B 122 -14.064 -0.753 -0.515 1.00 0.00 H new ATOM 0 HA LYS B 122 -16.743 -1.532 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -15.834 0.643 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -14.542 -0.076 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -16.312 -0.966 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -17.482 -0.002 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -16.178 2.049 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -14.966 1.100 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -16.665 0.395 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -17.884 1.333 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -16.778 2.427 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -16.813 3.346 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -15.380 2.570 -6.449 1.00 0.00 H new ATOM 1164 N MET B 123 -14.310 -2.836 -2.921 1.00 0.00 N ATOM 1165 CA MET B 123 -13.929 -4.010 -3.728 1.00 0.00 C ATOM 1166 C MET B 123 -14.061 -5.291 -2.906 1.00 0.00 C ATOM 1167 O MET B 123 -14.226 -6.383 -3.458 1.00 0.00 O ATOM 1168 CB MET B 123 -12.494 -3.858 -4.243 1.00 0.00 C ATOM 1169 CG MET B 123 -12.292 -2.699 -5.216 1.00 0.00 C ATOM 1170 SD MET B 123 -10.669 -2.746 -5.995 1.00 0.00 S ATOM 1171 CE MET B 123 -9.584 -2.602 -4.564 1.00 0.00 C ATOM 0 H MET B 123 -13.562 -2.156 -2.784 1.00 0.00 H new ATOM 0 HA MET B 123 -14.603 -4.075 -4.582 1.00 0.00 H new ATOM 0 HB2 MET B 123 -11.828 -3.721 -3.391 1.00 0.00 H new ATOM 0 HB3 MET B 123 -12.197 -4.785 -4.734 1.00 0.00 H new ATOM 0 HG2 MET B 123 -13.064 -2.732 -5.985 1.00 0.00 H new ATOM 0 HG3 MET B 123 -12.412 -1.755 -4.685 1.00 0.00 H new ATOM 0 HE1 MET B 123 -8.648 -2.131 -4.863 1.00 0.00 H new ATOM 0 HE2 MET B 123 -10.068 -1.994 -3.800 1.00 0.00 H new ATOM 0 HE3 MET B 123 -9.379 -3.594 -4.162 1.00 0.00 H new ATOM 1181 N GLY B 124 -13.985 -5.151 -1.582 1.00 0.00 N ATOM 1182 CA GLY B 124 -14.149 -6.293 -0.695 1.00 0.00 C ATOM 1183 C GLY B 124 -12.831 -6.842 -0.196 1.00 0.00 C ATOM 1184 O GLY B 124 -12.797 -7.906 0.438 1.00 0.00 O ATOM 0 H GLY B 124 -13.812 -4.265 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -14.761 -6.000 0.158 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -14.690 -7.080 -1.220 1.00 0.00 H new ATOM 1188 N VAL B 125 -11.760 -6.123 -0.454 1.00 0.00 N ATOM 1189 CA VAL B 125 -10.422 -6.550 -0.053 1.00 0.00 C ATOM 1190 C VAL B 125 -10.019 -5.883 1.263 1.00 0.00 C ATOM 1191 O VAL B 125 -10.290 -4.709 1.483 1.00 0.00 O ATOM 1192 CB VAL B 125 -9.379 -6.249 -1.156 1.00 0.00 C ATOM 1193 CG1 VAL B 125 -9.256 -4.749 -1.426 1.00 0.00 C ATOM 1194 CG2 VAL B 125 -8.016 -6.860 -0.805 1.00 0.00 C ATOM 0 H VAL B 125 -11.783 -5.229 -0.945 1.00 0.00 H new ATOM 0 HA VAL B 125 -10.447 -7.630 0.095 1.00 0.00 H new ATOM 0 HB VAL B 125 -9.733 -6.716 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -8.514 -4.579 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL B 125 -10.220 -4.357 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL B 125 -8.946 -4.239 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -7.301 -6.634 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL B 125 -7.660 -6.440 0.136 1.00 0.00 H new ATOM 0 HG23 VAL B 125 -8.117 -7.941 -0.705 1.00 0.00 H new ATOM 1204 N THR B 126 -9.358 -6.661 2.132 1.00 0.00 N ATOM 1205 CA THR B 126 -8.944 -6.189 3.440 1.00 0.00 C ATOM 1206 C THR B 126 -7.783 -5.185 3.305 1.00 0.00 C ATOM 1207 O THR B 126 -6.891 -5.385 2.473 1.00 0.00 O ATOM 1208 CB THR B 126 -8.509 -7.392 4.296 1.00 0.00 C ATOM 1209 OG1 THR B 126 -9.591 -8.347 4.383 1.00 0.00 O ATOM 1210 CG2 THR B 126 -8.086 -6.996 5.694 1.00 0.00 C ATOM 0 H THR B 126 -9.101 -7.629 1.939 1.00 0.00 H new ATOM 0 HA THR B 126 -9.780 -5.682 3.922 1.00 0.00 H new ATOM 0 HB THR B 126 -7.643 -7.833 3.803 1.00 0.00 H new ATOM 0 HG1 THR B 126 -9.531 -8.979 3.636 1.00 0.00 H new ATOM 0 HG21 THR B 126 -7.790 -7.885 6.250 1.00 0.00 H new ATOM 0 HG22 THR B 126 -7.244 -6.306 5.638 1.00 0.00 H new ATOM 0 HG23 THR B 126 -8.919 -6.510 6.202 1.00 0.00 H new ATOM 1218 N PRO B 127 -7.787 -4.088 4.109 1.00 0.00 N ATOM 1219 CA PRO B 127 -6.721 -3.073 4.064 1.00 0.00 C ATOM 1220 C PRO B 127 -5.332 -3.693 4.197 1.00 0.00 C ATOM 1221 O PRO B 127 -4.431 -3.405 3.405 1.00 0.00 O ATOM 1222 CB PRO B 127 -7.025 -2.135 5.247 1.00 0.00 C ATOM 1223 CG PRO B 127 -8.063 -2.844 6.071 1.00 0.00 C ATOM 1224 CD PRO B 127 -8.817 -3.735 5.115 1.00 0.00 C ATOM 0 HA PRO B 127 -6.709 -2.549 3.109 1.00 0.00 H new ATOM 0 HB2 PRO B 127 -6.127 -1.939 5.833 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -7.394 -1.171 4.897 1.00 0.00 H new ATOM 0 HG2 PRO B 127 -7.598 -3.429 6.865 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -8.734 -2.131 6.551 1.00 0.00 H new ATOM 0 HD2 PRO B 127 -9.214 -4.619 5.614 1.00 0.00 H new ATOM 0 HD3 PRO B 127 -9.663 -3.218 4.663 1.00 0.00 H new ATOM 1232 N SER B 128 -5.173 -4.583 5.169 1.00 0.00 N ATOM 1233 CA SER B 128 -3.911 -5.289 5.404 1.00 0.00 C ATOM 1234 C SER B 128 -3.483 -6.062 4.165 1.00 0.00 C ATOM 1235 O SER B 128 -2.287 -6.229 3.901 1.00 0.00 O ATOM 1236 CB SER B 128 -4.067 -6.244 6.600 1.00 0.00 C ATOM 1237 OG SER B 128 -4.525 -5.555 7.743 1.00 0.00 O ATOM 0 H SER B 128 -5.915 -4.839 5.820 1.00 0.00 H new ATOM 0 HA SER B 128 -3.137 -4.555 5.628 1.00 0.00 H new ATOM 0 HB2 SER B 128 -4.768 -7.039 6.346 1.00 0.00 H new ATOM 0 HB3 SER B 128 -3.111 -6.720 6.817 1.00 0.00 H new ATOM 0 HG SER B 128 -4.618 -6.184 8.489 1.00 0.00 H new ATOM 1243 N GLU B 129 -4.467 -6.492 3.367 1.00 0.00 N ATOM 1244 CA GLU B 129 -4.192 -7.234 2.148 1.00 0.00 C ATOM 1245 C GLU B 129 -3.737 -6.288 1.031 1.00 0.00 C ATOM 1246 O GLU B 129 -2.774 -6.579 0.325 1.00 0.00 O ATOM 1247 CB GLU B 129 -5.451 -7.997 1.701 1.00 0.00 C ATOM 1248 CG GLU B 129 -5.909 -9.061 2.670 1.00 0.00 C ATOM 1249 CD GLU B 129 -7.089 -9.861 2.135 1.00 0.00 C ATOM 1250 OE1 GLU B 129 -8.174 -9.278 1.916 1.00 0.00 O ATOM 1251 OE2 GLU B 129 -6.948 -11.080 1.943 1.00 0.00 O ATOM 0 H GLU B 129 -5.458 -6.335 3.550 1.00 0.00 H new ATOM 0 HA GLU B 129 -3.392 -7.945 2.351 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -6.261 -7.283 1.554 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -5.256 -8.462 0.735 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -5.081 -9.737 2.882 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -6.188 -8.593 3.614 1.00 0.00 H new ATOM 1258 N ALA B 130 -4.438 -5.170 0.887 1.00 0.00 N ATOM 1259 CA ALA B 130 -4.053 -4.160 -0.115 1.00 0.00 C ATOM 1260 C ALA B 130 -2.620 -3.671 0.126 1.00 0.00 C ATOM 1261 O ALA B 130 -1.866 -3.398 -0.807 1.00 0.00 O ATOM 1262 CB ALA B 130 -5.012 -2.980 -0.092 1.00 0.00 C ATOM 0 H ALA B 130 -5.264 -4.934 1.437 1.00 0.00 H new ATOM 0 HA ALA B 130 -4.102 -4.632 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA B 130 -4.707 -2.248 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA B 130 -6.021 -3.327 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA B 130 -4.996 -2.518 0.895 1.00 0.00 H new ATOM 1268 N LEU B 131 -2.256 -3.531 1.406 1.00 0.00 N ATOM 1269 CA LEU B 131 -0.914 -3.129 1.783 1.00 0.00 C ATOM 1270 C LEU B 131 0.062 -4.291 1.589 1.00 0.00 C ATOM 1271 O LEU B 131 1.247 -4.086 1.335 1.00 0.00 O ATOM 1272 CB LEU B 131 -0.878 -2.641 3.254 1.00 0.00 C ATOM 1273 CG LEU B 131 -1.294 -1.166 3.503 1.00 0.00 C ATOM 1274 CD1 LEU B 131 -0.401 -0.208 2.736 1.00 0.00 C ATOM 1275 CD2 LEU B 131 -2.753 -0.947 3.169 1.00 0.00 C ATOM 0 H LEU B 131 -2.882 -3.693 2.195 1.00 0.00 H new ATOM 0 HA LEU B 131 -0.612 -2.303 1.139 1.00 0.00 H new ATOM 0 HB2 LEU B 131 -1.531 -3.284 3.843 1.00 0.00 H new ATOM 0 HB3 LEU B 131 0.134 -2.780 3.635 1.00 0.00 H new ATOM 0 HG LEU B 131 -1.164 -0.958 4.565 1.00 0.00 H new ATOM 0 HD11 LEU B 131 -0.716 0.817 2.930 1.00 0.00 H new ATOM 0 HD12 LEU B 131 0.632 -0.337 3.058 1.00 0.00 H new ATOM 0 HD13 LEU B 131 -0.477 -0.415 1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 131 -3.016 0.095 3.353 1.00 0.00 H new ATOM 0 HD22 LEU B 131 -2.926 -1.185 2.119 1.00 0.00 H new ATOM 0 HD23 LEU B 131 -3.370 -1.593 3.794 1.00 0.00 H new ATOM 1287 N ARG B 132 -0.443 -5.514 1.718 1.00 0.00 N ATOM 1288 CA ARG B 132 0.375 -6.716 1.577 1.00 0.00 C ATOM 1289 C ARG B 132 0.900 -6.840 0.150 1.00 0.00 C ATOM 1290 O ARG B 132 2.095 -7.059 -0.074 1.00 0.00 O ATOM 1291 CB ARG B 132 -0.468 -7.957 1.970 1.00 0.00 C ATOM 1292 CG ARG B 132 0.318 -9.241 2.316 1.00 0.00 C ATOM 1293 CD ARG B 132 0.821 -9.968 1.072 1.00 0.00 C ATOM 1294 NE ARG B 132 1.501 -11.209 1.418 1.00 0.00 N ATOM 1295 CZ ARG B 132 2.474 -11.775 0.707 1.00 0.00 C ATOM 1296 NH1 ARG B 132 2.871 -11.175 -0.421 1.00 0.00 N ATOM 1297 NH2 ARG B 132 3.051 -12.891 1.100 1.00 0.00 N ATOM 0 H ARG B 132 -1.425 -5.700 1.922 1.00 0.00 H new ATOM 0 HA ARG B 132 1.237 -6.649 2.241 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -1.085 -7.693 2.829 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -1.147 -8.183 1.148 1.00 0.00 H new ATOM 0 HG2 ARG B 132 1.166 -8.985 2.951 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -0.321 -9.911 2.892 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -0.018 -10.184 0.411 1.00 0.00 H new ATOM 0 HD3 ARG B 132 1.502 -9.320 0.521 1.00 0.00 H new ATOM 0 HE ARG B 132 1.208 -11.682 2.273 1.00 0.00 H new ATOM 0 HH11 ARG B 132 2.430 -10.304 -0.718 1.00 0.00 H new ATOM 0 HH12 ARG B 132 3.615 -11.588 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG B 132 2.755 -13.341 1.966 1.00 0.00 H new ATOM 0 HH22 ARG B 132 3.794 -13.306 0.538 1.00 0.00 H new ATOM 1311 N LEU B 133 -0.007 -6.661 -0.823 1.00 0.00 N ATOM 1312 CA LEU B 133 0.356 -6.731 -2.237 1.00 0.00 C ATOM 1313 C LEU B 133 1.229 -5.538 -2.635 1.00 0.00 C ATOM 1314 O LEU B 133 2.015 -5.614 -3.575 1.00 0.00 O ATOM 1315 CB LEU B 133 -0.879 -6.814 -3.126 1.00 0.00 C ATOM 1316 CG LEU B 133 -1.991 -5.798 -2.825 1.00 0.00 C ATOM 1317 CD1 LEU B 133 -2.106 -4.759 -3.925 1.00 0.00 C ATOM 1318 CD2 LEU B 133 -3.310 -6.518 -2.586 1.00 0.00 C ATOM 0 H LEU B 133 -0.994 -6.467 -0.652 1.00 0.00 H new ATOM 0 HA LEU B 133 0.933 -7.644 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.566 -6.685 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -1.297 -7.817 -3.041 1.00 0.00 H new ATOM 0 HG LEU B 133 -1.730 -5.261 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU B 133 -2.902 -4.056 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU B 133 -1.163 -4.221 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU B 133 -2.336 -5.253 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU B 133 -4.090 -5.787 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU B 133 -3.579 -7.088 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU B 133 -3.207 -7.195 -1.738 1.00 0.00 H new ATOM 1330 N MET B 134 1.079 -4.445 -1.901 1.00 0.00 N ATOM 1331 CA MET B 134 1.911 -3.264 -2.124 1.00 0.00 C ATOM 1332 C MET B 134 3.368 -3.596 -1.857 1.00 0.00 C ATOM 1333 O MET B 134 4.262 -3.254 -2.639 1.00 0.00 O ATOM 1334 CB MET B 134 1.456 -2.091 -1.249 1.00 0.00 C ATOM 1335 CG MET B 134 2.454 -0.947 -1.199 1.00 0.00 C ATOM 1336 SD MET B 134 3.843 -1.259 -0.100 1.00 0.00 S ATOM 1337 CE MET B 134 4.888 0.147 -0.458 1.00 0.00 C ATOM 0 H MET B 134 0.395 -4.348 -1.150 1.00 0.00 H new ATOM 0 HA MET B 134 1.802 -2.961 -3.166 1.00 0.00 H new ATOM 0 HB2 MET B 134 0.504 -1.716 -1.625 1.00 0.00 H new ATOM 0 HB3 MET B 134 1.278 -2.452 -0.236 1.00 0.00 H new ATOM 0 HG2 MET B 134 2.831 -0.759 -2.204 1.00 0.00 H new ATOM 0 HG3 MET B 134 1.941 -0.041 -0.876 1.00 0.00 H new ATOM 0 HE1 MET B 134 5.542 0.340 0.392 1.00 0.00 H new ATOM 0 HE2 MET B 134 5.493 -0.064 -1.340 1.00 0.00 H new ATOM 0 HE3 MET B 134 4.267 1.023 -0.645 1.00 0.00 H new ATOM 1347 N LEU B 135 3.610 -4.265 -0.734 1.00 0.00 N ATOM 1348 CA LEU B 135 4.967 -4.640 -0.336 1.00 0.00 C ATOM 1349 C LEU B 135 5.585 -5.554 -1.371 1.00 0.00 C ATOM 1350 O LEU B 135 6.812 -5.600 -1.532 1.00 0.00 O ATOM 1351 CB LEU B 135 4.972 -5.290 1.045 1.00 0.00 C ATOM 1352 CG LEU B 135 4.580 -4.369 2.211 1.00 0.00 C ATOM 1353 CD1 LEU B 135 4.609 -5.131 3.530 1.00 0.00 C ATOM 1354 CD2 LEU B 135 5.510 -3.146 2.272 1.00 0.00 C ATOM 0 H LEU B 135 2.884 -4.560 -0.081 1.00 0.00 H new ATOM 0 HA LEU B 135 5.571 -3.734 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU B 135 4.289 -6.139 1.030 1.00 0.00 H new ATOM 0 HB3 LEU B 135 5.969 -5.686 1.237 1.00 0.00 H new ATOM 0 HG LEU B 135 3.562 -4.017 2.041 1.00 0.00 H new ATOM 0 HD11 LEU B 135 4.329 -4.462 4.343 1.00 0.00 H new ATOM 0 HD12 LEU B 135 3.906 -5.962 3.485 1.00 0.00 H new ATOM 0 HD13 LEU B 135 5.614 -5.515 3.706 1.00 0.00 H new ATOM 0 HD21 LEU B 135 5.216 -2.506 3.104 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.538 -3.478 2.415 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.436 -2.586 1.340 1.00 0.00 H new ATOM 1366 N GLU B 136 4.736 -6.285 -2.108 1.00 0.00 N ATOM 1367 CA GLU B 136 5.179 -7.088 -3.232 1.00 0.00 C ATOM 1368 C GLU B 136 5.730 -6.212 -4.350 1.00 0.00 C ATOM 1369 O GLU B 136 6.857 -6.433 -4.796 1.00 0.00 O ATOM 1370 CB GLU B 136 4.019 -7.937 -3.760 1.00 0.00 C ATOM 1371 CG GLU B 136 3.664 -9.119 -2.874 1.00 0.00 C ATOM 1372 CD GLU B 136 4.637 -10.293 -3.003 1.00 0.00 C ATOM 1373 OE1 GLU B 136 5.005 -10.638 -4.153 1.00 0.00 O ATOM 1374 OE2 GLU B 136 5.025 -10.879 -1.985 1.00 0.00 O ATOM 0 H GLU B 136 3.732 -6.329 -1.935 1.00 0.00 H new ATOM 0 HA GLU B 136 5.979 -7.743 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU B 136 3.140 -7.303 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU B 136 4.275 -8.305 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU B 136 3.640 -8.790 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU B 136 2.659 -9.461 -3.123 1.00 0.00 H new ATOM 1381 N TYR B 137 4.971 -5.221 -4.823 1.00 0.00 N ATOM 1382 CA TYR B 137 5.344 -4.478 -6.012 1.00 0.00 C ATOM 1383 C TYR B 137 6.520 -3.537 -5.746 1.00 0.00 C ATOM 1384 O TYR B 137 7.234 -3.171 -6.663 1.00 0.00 O ATOM 1385 CB TYR B 137 4.129 -3.689 -6.571 1.00 0.00 C ATOM 1386 CG TYR B 137 3.917 -2.287 -6.014 1.00 0.00 C ATOM 1387 CD1 TYR B 137 4.735 -1.227 -6.368 1.00 0.00 C ATOM 1388 CD2 TYR B 137 2.851 -2.021 -5.134 1.00 0.00 C ATOM 1389 CE1 TYR B 137 4.524 0.048 -5.869 1.00 0.00 C ATOM 1390 CE2 TYR B 137 2.643 -0.746 -4.637 1.00 0.00 C ATOM 1391 CZ TYR B 137 3.473 0.281 -5.005 1.00 0.00 C ATOM 1392 OH TYR B 137 3.266 1.554 -4.509 1.00 0.00 O ATOM 0 H TYR B 137 4.095 -4.920 -4.395 1.00 0.00 H new ATOM 0 HA TYR B 137 5.664 -5.201 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR B 137 4.239 -3.614 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR B 137 3.227 -4.272 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR B 137 5.556 -1.398 -7.048 1.00 0.00 H new ATOM 0 HD2 TYR B 137 2.187 -2.822 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR B 137 5.180 0.857 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR B 137 1.825 -0.560 -3.957 1.00 0.00 H new ATOM 0 HH TYR B 137 2.486 1.551 -3.916 1.00 0.00 H new ATOM 1402 N ILE B 138 6.704 -3.121 -4.498 1.00 0.00 N ATOM 1403 CA ILE B 138 7.854 -2.277 -4.168 1.00 0.00 C ATOM 1404 C ILE B 138 9.133 -3.114 -4.189 1.00 0.00 C ATOM 1405 O ILE B 138 10.156 -2.677 -4.713 1.00 0.00 O ATOM 1406 CB ILE B 138 7.697 -1.541 -2.799 1.00 0.00 C ATOM 1407 CG1 ILE B 138 9.042 -0.958 -2.313 1.00 0.00 C ATOM 1408 CG2 ILE B 138 7.089 -2.444 -1.744 1.00 0.00 C ATOM 1409 CD1 ILE B 138 9.660 0.058 -3.247 1.00 0.00 C ATOM 0 H ILE B 138 6.091 -3.345 -3.714 1.00 0.00 H new ATOM 0 HA ILE B 138 7.913 -1.498 -4.928 1.00 0.00 H new ATOM 0 HB ILE B 138 7.010 -0.711 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE B 138 8.891 -0.492 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE B 138 9.747 -1.776 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE B 138 6.996 -1.896 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE B 138 6.103 -2.773 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE B 138 7.731 -3.312 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE B 138 10.601 0.414 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE B 138 9.848 -0.405 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE B 138 8.978 0.899 -3.373 1.00 0.00 H new ATOM 1421 N ALA B 139 9.076 -4.314 -3.625 1.00 0.00 N ATOM 1422 CA ALA B 139 10.245 -5.200 -3.591 1.00 0.00 C ATOM 1423 C ALA B 139 10.610 -5.683 -4.995 1.00 0.00 C ATOM 1424 O ALA B 139 11.788 -5.885 -5.305 1.00 0.00 O ATOM 1425 CB ALA B 139 9.981 -6.385 -2.675 1.00 0.00 C ATOM 0 H ALA B 139 8.240 -4.699 -3.186 1.00 0.00 H new ATOM 0 HA ALA B 139 11.090 -4.633 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA B 139 10.856 -7.034 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA B 139 9.776 -6.027 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA B 139 9.121 -6.944 -3.043 1.00 0.00 H new ATOM 1431 N ASP B 140 9.588 -5.854 -5.830 1.00 0.00 N ATOM 1432 CA ASP B 140 9.778 -6.345 -7.191 1.00 0.00 C ATOM 1433 C ASP B 140 10.216 -5.235 -8.150 1.00 0.00 C ATOM 1434 O ASP B 140 11.173 -5.402 -8.921 1.00 0.00 O ATOM 1435 CB ASP B 140 8.462 -6.959 -7.685 1.00 0.00 C ATOM 1436 CG ASP B 140 8.519 -7.460 -9.124 1.00 0.00 C ATOM 1437 OD1 ASP B 140 8.273 -6.654 -10.056 1.00 0.00 O ATOM 1438 OD2 ASP B 140 8.781 -8.660 -9.331 1.00 0.00 O ATOM 0 H ASP B 140 8.617 -5.659 -5.586 1.00 0.00 H new ATOM 0 HA ASP B 140 10.571 -7.092 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP B 140 8.191 -7.788 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP B 140 7.670 -6.215 -7.600 1.00 0.00 H new ATOM 1443 N ASN B 141 9.528 -4.092 -8.108 1.00 0.00 N ATOM 1444 CA ASN B 141 9.779 -3.000 -9.046 1.00 0.00 C ATOM 1445 C ASN B 141 10.899 -2.073 -8.553 1.00 0.00 C ATOM 1446 O ASN B 141 11.676 -1.553 -9.350 1.00 0.00 O ATOM 1447 CB ASN B 141 8.499 -2.162 -9.260 1.00 0.00 C ATOM 1448 CG ASN B 141 7.384 -2.876 -10.016 1.00 0.00 C ATOM 1449 OD1 ASN B 141 7.103 -4.109 -9.672 1.00 0.00 O flip ATOM 1450 ND2 ASN B 141 6.735 -2.277 -10.880 1.00 0.00 N flip ATOM 0 H ASN B 141 8.790 -3.900 -7.431 1.00 0.00 H new ATOM 0 HA ASN B 141 10.088 -3.455 -9.987 1.00 0.00 H new ATOM 0 HB2 ASN B 141 8.118 -1.852 -8.287 1.00 0.00 H new ATOM 0 HB3 ASN B 141 8.763 -1.254 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN B 141 6.978 -1.317 -11.126 1.00 0.00 H new ATOM 0 HD22 ASN B 141 5.956 -2.742 -11.347 1.00 0.00 H new ATOM 1457 N GLU B 142 10.956 -1.888 -7.226 1.00 0.00 N ATOM 1458 CA GLU B 142 11.949 -1.001 -6.612 1.00 0.00 C ATOM 1459 C GLU B 142 11.947 0.359 -7.262 1.00 0.00 C ATOM 1460 O GLU B 142 12.993 0.870 -7.685 1.00 0.00 O ATOM 1461 CB GLU B 142 13.342 -1.627 -6.675 1.00 0.00 C ATOM 1462 CG GLU B 142 13.464 -2.948 -5.940 1.00 0.00 C ATOM 1463 CD GLU B 142 14.899 -3.424 -5.797 1.00 0.00 C ATOM 1464 OE1 GLU B 142 15.692 -2.731 -5.120 1.00 0.00 O ATOM 1465 OE2 GLU B 142 15.241 -4.481 -6.371 1.00 0.00 O ATOM 0 H GLU B 142 10.328 -2.340 -6.561 1.00 0.00 H new ATOM 0 HA GLU B 142 11.676 -0.869 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU B 142 13.613 -1.779 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU B 142 14.063 -0.924 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU B 142 13.021 -2.847 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU B 142 12.888 -3.706 -6.471 1.00 0.00 H new ATOM 1472 N ARG B 143 10.775 0.978 -7.362 1.00 0.00 N ATOM 1473 CA ARG B 143 10.650 2.301 -7.966 1.00 0.00 C ATOM 1474 C ARG B 143 9.454 3.074 -7.447 1.00 0.00 C ATOM 1475 O ARG B 143 9.547 4.287 -7.248 1.00 0.00 O ATOM 1476 CB ARG B 143 10.599 2.210 -9.505 1.00 0.00 C ATOM 1477 CG ARG B 143 9.518 1.256 -10.015 1.00 0.00 C ATOM 1478 CD ARG B 143 9.653 1.026 -11.522 1.00 0.00 C ATOM 1479 NE ARG B 143 10.974 0.511 -11.863 1.00 0.00 N ATOM 1480 CZ ARG B 143 11.252 -0.259 -12.914 1.00 0.00 C ATOM 1481 NH1 ARG B 143 10.292 -0.683 -13.716 1.00 0.00 N ATOM 1482 NH2 ARG B 143 12.505 -0.629 -13.143 1.00 0.00 N ATOM 0 H ARG B 143 9.895 0.583 -7.031 1.00 0.00 H new ATOM 0 HA ARG B 143 11.543 2.853 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG B 143 10.421 3.204 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG B 143 11.570 1.881 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG B 143 9.592 0.303 -9.490 1.00 0.00 H new ATOM 0 HG3 ARG B 143 8.533 1.666 -9.793 1.00 0.00 H new ATOM 0 HD2 ARG B 143 8.889 0.323 -11.855 1.00 0.00 H new ATOM 0 HD3 ARG B 143 9.477 1.962 -12.052 1.00 0.00 H new ATOM 0 HE ARG B 143 11.748 0.761 -11.247 1.00 0.00 H new ATOM 0 HH11 ARG B 143 9.323 -0.421 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG B 143 10.520 -1.272 -14.517 1.00 0.00 H new ATOM 0 HH21 ARG B 143 13.250 -0.324 -12.516 1.00 0.00 H new ATOM 0 HH22 ARG B 143 12.724 -1.219 -13.946 1.00 0.00 H new ATOM 1496 N LEU B 144 8.340 2.379 -7.218 1.00 0.00 N ATOM 1497 CA LEU B 144 7.090 3.019 -6.762 1.00 0.00 C ATOM 1498 C LEU B 144 6.539 3.962 -7.849 1.00 0.00 C ATOM 1499 O LEU B 144 7.300 4.532 -8.628 1.00 0.00 O ATOM 1500 CB LEU B 144 7.303 3.793 -5.439 1.00 0.00 C ATOM 1501 CG LEU B 144 7.661 2.907 -4.213 1.00 0.00 C ATOM 1502 CD1 LEU B 144 7.963 3.769 -2.997 1.00 0.00 C ATOM 1503 CD2 LEU B 144 6.545 1.920 -3.909 1.00 0.00 C ATOM 0 H LEU B 144 8.270 1.369 -7.339 1.00 0.00 H new ATOM 0 HA LEU B 144 6.361 2.230 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU B 144 8.099 4.523 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU B 144 6.395 4.352 -5.212 1.00 0.00 H new ATOM 0 HG LEU B 144 8.557 2.337 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU B 144 8.211 3.129 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU B 144 8.806 4.424 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU B 144 7.089 4.372 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU B 144 6.821 1.313 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU B 144 5.627 2.465 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU B 144 6.386 1.274 -4.772 1.00 0.00 H new