USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 MET CE :methyl -153:sc= -8.6! (180deg=-11.6!) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.22 K(o=-10,f=-11) USER MOD Set 1.3: A 77 TYR OH : rot -26:sc= -0.529 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.148) USER MOD Single : A 33 TYR OH : rot -85:sc= 1.15 USER MOD Single : A 37 CYS SG : rot -170:sc= -0.126 USER MOD Single : A 39 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.16) USER MOD Single : A 40 CYS SG : rot -151:sc= 0.352 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.777 USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.81 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 87:sc= 0.183 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -3.74! C(o=-7.9!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -0.496 (180deg=-1.33!) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.186 (180deg=-0.338) USER MOD Single : A 65 MET CE :methyl -115:sc= -3.09 (180deg=-6.79!) USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -9.14! C(o=-9.1!,f=-22!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -3.55 K(o=-3.6,f=-11!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -44:sc= -0.587 USER MOD Single : A 86 TYR OH : rot -154:sc= 0.926 USER MOD Single : A 90 SER OG : rot 6:sc= 0.925 USER MOD Single : A 93 LYS NZ :NH3+ -128:sc= -3.05! (180deg=-7.32!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 137:sc= -0.0827 (180deg=-1.9) USER MOD Single : A 108 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 110 SER OG : rot -123:sc= 1.15 USER MOD Single : A 111 LYS NZ :NH3+ -167:sc=-0.000765 (180deg=-0.109) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -6.76! C(o=-9.3!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.914 4.222 -12.865 1.00 0.00 N ATOM 67 CA PRO A 8 7.890 2.781 -12.595 1.00 0.00 C ATOM 68 C PRO A 8 6.637 2.354 -11.838 1.00 0.00 C ATOM 69 O PRO A 8 6.084 1.283 -12.087 1.00 0.00 O ATOM 70 CB PRO A 8 9.136 2.561 -11.734 1.00 0.00 C ATOM 71 CG PRO A 8 9.385 3.878 -11.084 1.00 0.00 C ATOM 72 CD PRO A 8 8.942 4.919 -12.074 1.00 0.00 C ATOM 0 HA PRO A 8 7.881 2.194 -13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.972 1.779 -10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.987 2.252 -12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.828 3.964 -10.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.440 3.998 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.537 5.800 -11.576 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.769 5.257 -12.699 1.00 0.00 H new ATOM 80 N VAL A 9 6.193 3.199 -10.913 1.00 0.00 N ATOM 81 CA VAL A 9 5.004 2.909 -10.120 1.00 0.00 C ATOM 82 C VAL A 9 3.744 2.974 -10.976 1.00 0.00 C ATOM 83 O VAL A 9 3.414 4.020 -11.536 1.00 0.00 O ATOM 84 CB VAL A 9 4.863 3.890 -8.941 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.693 3.493 -8.054 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.154 3.948 -8.139 1.00 0.00 C ATOM 0 H VAL A 9 6.639 4.090 -10.694 1.00 0.00 H new ATOM 0 HA VAL A 9 5.122 1.898 -9.729 1.00 0.00 H new ATOM 0 HB VAL A 9 4.665 4.885 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.609 4.197 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.773 3.507 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.858 2.490 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.036 4.646 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.385 2.957 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.967 4.283 -8.783 1.00 0.00 H new ATOM 96 N LYS A 10 3.042 1.851 -11.072 1.00 0.00 N ATOM 97 CA LYS A 10 1.816 1.779 -11.858 1.00 0.00 C ATOM 98 C LYS A 10 0.667 2.479 -11.139 1.00 0.00 C ATOM 99 O LYS A 10 0.455 2.277 -9.943 1.00 0.00 O ATOM 100 CB LYS A 10 1.446 0.320 -12.132 1.00 0.00 C ATOM 101 CG LYS A 10 -0.027 0.113 -12.439 1.00 0.00 C ATOM 102 CD LYS A 10 -0.249 -1.113 -13.309 1.00 0.00 C ATOM 103 CE LYS A 10 -0.065 -0.789 -14.784 1.00 0.00 C ATOM 104 NZ LYS A 10 0.257 -2.004 -15.583 1.00 0.00 N ATOM 0 H LYS A 10 3.301 0.977 -10.615 1.00 0.00 H new ATOM 0 HA LYS A 10 1.992 2.287 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.038 -0.045 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.716 -0.283 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.582 0.004 -11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.422 0.995 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.448 -1.898 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.254 -1.501 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.975 -0.330 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.735 -0.057 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.375 -1.741 -16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.139 -2.428 -15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.517 -2.693 -15.495 1.00 0.00 H new ATOM 118 N VAL A 11 -0.072 3.302 -11.876 1.00 0.00 N ATOM 119 CA VAL A 11 -1.201 4.030 -11.309 1.00 0.00 C ATOM 120 C VAL A 11 -2.507 3.271 -11.520 1.00 0.00 C ATOM 121 O VAL A 11 -2.758 2.735 -12.600 1.00 0.00 O ATOM 122 CB VAL A 11 -1.331 5.435 -11.927 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.042 6.003 -12.253 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.208 5.391 -13.169 1.00 0.00 C ATOM 0 H VAL A 11 0.091 3.481 -12.867 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.009 4.128 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.806 6.092 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.069 6.996 -12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.634 6.071 -11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.547 5.349 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.289 6.392 -13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.764 4.720 -13.905 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.201 5.029 -12.901 1.00 0.00 H new ATOM 134 N VAL A 12 -3.336 3.230 -10.482 1.00 0.00 N ATOM 135 CA VAL A 12 -4.617 2.539 -10.555 1.00 0.00 C ATOM 136 C VAL A 12 -5.774 3.495 -10.287 1.00 0.00 C ATOM 137 O VAL A 12 -5.603 4.527 -9.637 1.00 0.00 O ATOM 138 CB VAL A 12 -4.684 1.374 -9.548 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.957 0.566 -9.750 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.455 0.488 -9.677 1.00 0.00 C ATOM 0 H VAL A 12 -3.143 3.667 -9.581 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.705 2.142 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.701 1.788 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.987 -0.252 -9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.824 1.210 -9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.974 0.160 -10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.519 -0.329 -8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.404 0.081 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.560 1.077 -9.478 1.00 0.00 H new ATOM 150 N VAL A 13 -6.953 3.145 -10.791 1.00 0.00 N ATOM 151 CA VAL A 13 -8.140 3.971 -10.605 1.00 0.00 C ATOM 152 C VAL A 13 -9.308 3.144 -10.080 1.00 0.00 C ATOM 153 O VAL A 13 -9.194 1.933 -9.901 1.00 0.00 O ATOM 154 CB VAL A 13 -8.559 4.656 -11.919 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.521 5.686 -12.339 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.769 3.622 -13.015 1.00 0.00 C ATOM 0 H VAL A 13 -7.112 2.295 -11.331 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.882 4.736 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.504 5.174 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.834 6.160 -13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.424 6.443 -11.561 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.560 5.194 -12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.065 4.123 -13.937 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.841 3.075 -13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.552 2.926 -12.713 1.00 0.00 H new ATOM 166 N GLY A 14 -10.434 3.809 -9.836 1.00 0.00 N ATOM 167 CA GLY A 14 -11.609 3.119 -9.335 1.00 0.00 C ATOM 168 C GLY A 14 -12.231 2.206 -10.372 1.00 0.00 C ATOM 169 O GLY A 14 -13.216 1.520 -10.096 1.00 0.00 O ATOM 0 H GLY A 14 -10.553 4.812 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.336 2.534 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.347 3.853 -9.012 1.00 0.00 H new ATOM 173 N LYS A 15 -11.658 2.196 -11.571 1.00 0.00 N ATOM 174 CA LYS A 15 -12.162 1.361 -12.654 1.00 0.00 C ATOM 175 C LYS A 15 -11.259 0.151 -12.873 1.00 0.00 C ATOM 176 O LYS A 15 -11.685 -0.862 -13.430 1.00 0.00 O ATOM 177 CB LYS A 15 -12.266 2.174 -13.946 1.00 0.00 C ATOM 178 CG LYS A 15 -11.006 2.133 -14.794 1.00 0.00 C ATOM 179 CD LYS A 15 -11.072 1.031 -15.838 1.00 0.00 C ATOM 180 CE LYS A 15 -12.026 1.390 -16.967 1.00 0.00 C ATOM 181 NZ LYS A 15 -11.620 0.764 -18.256 1.00 0.00 N ATOM 0 H LYS A 15 -10.843 2.758 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.154 1.006 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.103 1.799 -14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.492 3.211 -13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.867 3.095 -15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.139 1.976 -14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.076 0.853 -16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.395 0.102 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.034 1.066 -16.708 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.059 2.473 -17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.295 1.033 -19.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.668 1.092 -18.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.613 -0.271 -18.152 1.00 0.00 H new ATOM 195 N THR A 16 -10.011 0.262 -12.431 1.00 0.00 N ATOM 196 CA THR A 16 -9.048 -0.823 -12.579 1.00 0.00 C ATOM 197 C THR A 16 -8.508 -1.267 -11.224 1.00 0.00 C ATOM 198 O THR A 16 -7.583 -2.075 -11.148 1.00 0.00 O ATOM 199 CB THR A 16 -7.868 -0.408 -13.478 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.172 0.698 -12.893 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.355 -0.030 -14.869 1.00 0.00 C ATOM 0 H THR A 16 -9.643 1.092 -11.967 1.00 0.00 H new ATOM 0 HA THR A 16 -9.577 -1.654 -13.047 1.00 0.00 H new ATOM 0 HB THR A 16 -7.190 -1.257 -13.566 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.422 0.955 -13.470 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.504 0.260 -15.486 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.859 -0.884 -15.323 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.051 0.805 -14.796 1.00 0.00 H new ATOM 209 N PHE A 17 -9.093 -0.734 -10.156 1.00 0.00 N ATOM 210 CA PHE A 17 -8.669 -1.076 -8.803 1.00 0.00 C ATOM 211 C PHE A 17 -9.025 -2.523 -8.471 1.00 0.00 C ATOM 212 O PHE A 17 -8.188 -3.283 -7.985 1.00 0.00 O ATOM 213 CB PHE A 17 -9.320 -0.134 -7.788 1.00 0.00 C ATOM 214 CG PHE A 17 -9.074 -0.527 -6.360 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.789 -1.562 -5.779 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.127 0.138 -5.598 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.565 -1.927 -4.465 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.898 -0.223 -4.284 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.618 -1.256 -3.716 1.00 0.00 C ATOM 0 H PHE A 17 -9.861 -0.064 -10.201 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.586 -0.965 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.943 0.876 -7.948 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.395 -0.105 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.531 -2.090 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.562 0.947 -6.036 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.129 -2.736 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.156 0.302 -3.701 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.441 -1.538 -2.689 1.00 0.00 H new ATOM 229 N ASP A 18 -10.272 -2.895 -8.736 1.00 0.00 N ATOM 230 CA ASP A 18 -10.740 -4.249 -8.467 1.00 0.00 C ATOM 231 C ASP A 18 -10.103 -5.246 -9.430 1.00 0.00 C ATOM 232 O ASP A 18 -10.224 -6.458 -9.254 1.00 0.00 O ATOM 233 CB ASP A 18 -12.264 -4.317 -8.577 1.00 0.00 C ATOM 234 CG ASP A 18 -12.954 -4.016 -7.261 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.459 -3.144 -6.517 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.990 -4.652 -6.976 1.00 0.00 O ATOM 0 H ASP A 18 -10.978 -2.277 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.445 -4.513 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.603 -3.608 -9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.557 -5.310 -8.918 1.00 0.00 H new ATOM 241 N ALA A 19 -9.425 -4.726 -10.448 1.00 0.00 N ATOM 242 CA ALA A 19 -8.769 -5.570 -11.439 1.00 0.00 C ATOM 243 C ALA A 19 -7.283 -5.724 -11.130 1.00 0.00 C ATOM 244 O ALA A 19 -6.723 -6.813 -11.259 1.00 0.00 O ATOM 245 CB ALA A 19 -8.963 -4.995 -12.834 1.00 0.00 C ATOM 0 H ALA A 19 -9.316 -3.725 -10.608 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.227 -6.558 -11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.468 -5.636 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.028 -4.942 -13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.533 -3.995 -12.878 1.00 0.00 H new ATOM 251 N ILE A 20 -6.651 -4.628 -10.724 1.00 0.00 N ATOM 252 CA ILE A 20 -5.231 -4.643 -10.398 1.00 0.00 C ATOM 253 C ILE A 20 -5.013 -4.820 -8.899 1.00 0.00 C ATOM 254 O ILE A 20 -4.546 -5.865 -8.447 1.00 0.00 O ATOM 255 CB ILE A 20 -4.534 -3.349 -10.857 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.710 -3.156 -12.365 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.058 -3.383 -10.491 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.375 -1.760 -12.839 1.00 0.00 C ATOM 0 H ILE A 20 -7.100 -3.719 -10.613 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.795 -5.489 -10.929 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.996 -2.505 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.077 -3.871 -12.891 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.741 -3.385 -12.634 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.580 -2.461 -10.822 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.953 -3.478 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.582 -4.234 -10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.523 -1.697 -13.917 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.025 -1.041 -12.341 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.335 -1.535 -12.601 1.00 0.00 H new ATOM 270 N VAL A 21 -5.357 -3.791 -8.131 1.00 0.00 N ATOM 271 CA VAL A 21 -5.203 -3.833 -6.682 1.00 0.00 C ATOM 272 C VAL A 21 -5.856 -5.080 -6.095 1.00 0.00 C ATOM 273 O VAL A 21 -5.453 -5.564 -5.038 1.00 0.00 O ATOM 274 CB VAL A 21 -5.813 -2.585 -6.016 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.592 -2.621 -4.511 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.226 -1.319 -6.619 1.00 0.00 C ATOM 0 H VAL A 21 -5.744 -2.918 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.132 -3.858 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.887 -2.584 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.030 -1.732 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.065 -3.511 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.523 -2.647 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.668 -0.447 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.147 -1.310 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.441 -1.291 -7.687 1.00 0.00 H new ATOM 286 N MET A 22 -6.866 -5.594 -6.789 1.00 0.00 N ATOM 287 CA MET A 22 -7.574 -6.786 -6.338 1.00 0.00 C ATOM 288 C MET A 22 -7.322 -7.958 -7.282 1.00 0.00 C ATOM 289 O MET A 22 -8.220 -8.757 -7.547 1.00 0.00 O ATOM 290 CB MET A 22 -9.075 -6.508 -6.241 1.00 0.00 C ATOM 291 CG MET A 22 -9.426 -5.410 -5.250 1.00 0.00 C ATOM 292 SD MET A 22 -9.310 -5.957 -3.536 1.00 0.00 S ATOM 293 CE MET A 22 -8.606 -4.503 -2.763 1.00 0.00 C ATOM 0 H MET A 22 -7.212 -5.204 -7.665 1.00 0.00 H new ATOM 0 HA MET A 22 -7.196 -7.050 -5.350 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.449 -6.230 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.588 -7.425 -5.952 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.759 -4.562 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.439 -5.058 -5.447 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.043 -4.798 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.940 -4.004 -3.466 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.406 -3.821 -2.474 1.00 0.00 H new ATOM 303 N ASP A 23 -6.097 -8.054 -7.785 1.00 0.00 N ATOM 304 CA ASP A 23 -5.727 -9.128 -8.699 1.00 0.00 C ATOM 305 C ASP A 23 -5.195 -10.335 -7.932 1.00 0.00 C ATOM 306 O ASP A 23 -4.093 -10.315 -7.382 1.00 0.00 O ATOM 307 CB ASP A 23 -4.677 -8.639 -9.697 1.00 0.00 C ATOM 308 CG ASP A 23 -4.758 -9.366 -11.025 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.855 -9.855 -11.369 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.725 -9.445 -11.722 1.00 0.00 O ATOM 0 H ASP A 23 -5.342 -7.401 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.621 -9.431 -9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.808 -7.570 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.683 -8.776 -9.271 1.00 0.00 H new ATOM 315 N PRO A 24 -5.995 -11.411 -7.892 1.00 0.00 N ATOM 316 CA PRO A 24 -5.625 -12.646 -7.194 1.00 0.00 C ATOM 317 C PRO A 24 -4.494 -13.391 -7.895 1.00 0.00 C ATOM 318 O PRO A 24 -4.096 -14.477 -7.472 1.00 0.00 O ATOM 319 CB PRO A 24 -6.913 -13.473 -7.231 1.00 0.00 C ATOM 320 CG PRO A 24 -7.654 -12.967 -8.420 1.00 0.00 C ATOM 321 CD PRO A 24 -7.321 -11.505 -8.525 1.00 0.00 C ATOM 0 HA PRO A 24 -5.256 -12.451 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.697 -14.538 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.494 -13.343 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.355 -13.501 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.728 -13.115 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.295 -11.172 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.057 -10.887 -8.010 1.00 0.00 H new ATOM 329 N LYS A 25 -3.978 -12.801 -8.968 1.00 0.00 N ATOM 330 CA LYS A 25 -2.891 -13.408 -9.727 1.00 0.00 C ATOM 331 C LYS A 25 -1.537 -13.020 -9.141 1.00 0.00 C ATOM 332 O LYS A 25 -0.521 -13.655 -9.426 1.00 0.00 O ATOM 333 CB LYS A 25 -2.965 -12.980 -11.194 1.00 0.00 C ATOM 334 CG LYS A 25 -4.234 -13.433 -11.896 1.00 0.00 C ATOM 335 CD LYS A 25 -4.019 -13.584 -13.393 1.00 0.00 C ATOM 336 CE LYS A 25 -5.216 -14.240 -14.065 1.00 0.00 C ATOM 337 NZ LYS A 25 -5.193 -15.721 -13.915 1.00 0.00 N ATOM 0 H LYS A 25 -4.295 -11.902 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.998 -14.491 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.896 -11.894 -11.251 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.102 -13.382 -11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.563 -14.384 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.030 -12.711 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.843 -12.604 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.126 -14.181 -13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.136 -13.845 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.224 -13.982 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.025 -16.131 -14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.327 -16.100 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.211 -15.968 -12.905 1.00 0.00 H new ATOM 351 N LYS A 26 -1.529 -11.975 -8.321 1.00 0.00 N ATOM 352 CA LYS A 26 -0.301 -11.504 -7.693 1.00 0.00 C ATOM 353 C LYS A 26 -0.600 -10.441 -6.640 1.00 0.00 C ATOM 354 O LYS A 26 -1.644 -9.789 -6.683 1.00 0.00 O ATOM 355 CB LYS A 26 0.652 -10.937 -8.748 1.00 0.00 C ATOM 356 CG LYS A 26 0.113 -9.704 -9.454 1.00 0.00 C ATOM 357 CD LYS A 26 1.234 -8.778 -9.892 1.00 0.00 C ATOM 358 CE LYS A 26 1.922 -9.289 -11.149 1.00 0.00 C ATOM 359 NZ LYS A 26 1.056 -9.148 -12.352 1.00 0.00 N ATOM 0 H LYS A 26 -2.360 -11.438 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 26 0.174 -12.353 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.601 -10.688 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.860 -11.708 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.470 -10.007 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.563 -9.168 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.833 -7.781 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.965 -8.685 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.851 -8.739 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.190 -10.337 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.632 -9.263 -13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.314 -9.877 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.616 -8.206 -12.354 1.00 0.00 H new ATOM 373 N ASP A 27 0.320 -10.272 -5.698 1.00 0.00 N ATOM 374 CA ASP A 27 0.155 -9.286 -4.636 1.00 0.00 C ATOM 375 C ASP A 27 0.474 -7.883 -5.143 1.00 0.00 C ATOM 376 O ASP A 27 1.574 -7.622 -5.628 1.00 0.00 O ATOM 377 CB ASP A 27 1.056 -9.630 -3.448 1.00 0.00 C ATOM 378 CG ASP A 27 1.126 -11.121 -3.187 1.00 0.00 C ATOM 379 OD1 ASP A 27 1.339 -11.884 -4.152 1.00 0.00 O ATOM 380 OD2 ASP A 27 0.967 -11.526 -2.016 1.00 0.00 O ATOM 0 H ASP A 27 1.188 -10.805 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.885 -9.308 -4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.060 -9.249 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.685 -9.125 -2.556 1.00 0.00 H new ATOM 385 N VAL A 28 -0.498 -6.983 -5.027 1.00 0.00 N ATOM 386 CA VAL A 28 -0.322 -5.606 -5.473 1.00 0.00 C ATOM 387 C VAL A 28 -0.335 -4.641 -4.293 1.00 0.00 C ATOM 388 O VAL A 28 -1.250 -4.662 -3.469 1.00 0.00 O ATOM 389 CB VAL A 28 -1.420 -5.195 -6.471 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.262 -3.735 -6.869 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.391 -6.096 -7.696 1.00 0.00 C ATOM 0 H VAL A 28 -1.415 -7.183 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 28 0.647 -5.555 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.389 -5.311 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.047 -3.463 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.338 -3.106 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.288 -3.588 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.174 -5.791 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.420 -6.014 -8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.558 -7.129 -7.392 1.00 0.00 H new ATOM 401 N LEU A 29 0.686 -3.793 -4.219 1.00 0.00 N ATOM 402 CA LEU A 29 0.793 -2.818 -3.140 1.00 0.00 C ATOM 403 C LEU A 29 0.236 -1.465 -3.572 1.00 0.00 C ATOM 404 O LEU A 29 0.888 -0.720 -4.304 1.00 0.00 O ATOM 405 CB LEU A 29 2.251 -2.666 -2.705 1.00 0.00 C ATOM 406 CG LEU A 29 2.509 -1.710 -1.540 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.159 -2.374 -0.217 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.959 -1.248 -1.540 1.00 0.00 C ATOM 0 H LEU A 29 1.451 -3.762 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 29 0.205 -3.181 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.632 -3.650 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.831 -2.326 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 29 1.870 -0.836 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.349 -1.679 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.106 -2.654 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.771 -3.266 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.124 -0.568 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.616 -2.112 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.177 -0.732 -2.475 1.00 0.00 H new ATOM 420 N ILE A 30 -0.971 -1.153 -3.112 1.00 0.00 N ATOM 421 CA ILE A 30 -1.613 0.111 -3.448 1.00 0.00 C ATOM 422 C ILE A 30 -1.300 1.181 -2.408 1.00 0.00 C ATOM 423 O ILE A 30 -1.356 0.926 -1.205 1.00 0.00 O ATOM 424 CB ILE A 30 -3.141 -0.046 -3.561 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.763 1.218 -4.158 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.745 -0.348 -2.198 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.401 1.443 -5.609 1.00 0.00 C ATOM 0 H ILE A 30 -1.524 -1.759 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.214 0.419 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.357 -0.883 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.848 1.157 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.443 2.081 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.825 -0.456 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.321 -1.274 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.522 0.469 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.877 2.357 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.319 1.537 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.746 0.598 -6.205 1.00 0.00 H new ATOM 439 N GLU A 31 -0.970 2.379 -2.880 1.00 0.00 N ATOM 440 CA GLU A 31 -0.648 3.488 -1.989 1.00 0.00 C ATOM 441 C GLU A 31 -1.532 4.697 -2.284 1.00 0.00 C ATOM 442 O GLU A 31 -1.372 5.361 -3.309 1.00 0.00 O ATOM 443 CB GLU A 31 0.826 3.873 -2.131 1.00 0.00 C ATOM 444 CG GLU A 31 1.199 5.139 -1.376 1.00 0.00 C ATOM 445 CD GLU A 31 2.380 5.861 -1.997 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.382 5.190 -2.320 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.301 7.096 -2.158 1.00 0.00 O ATOM 0 H GLU A 31 -0.919 2.606 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.835 3.165 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.444 3.050 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.058 4.008 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.340 5.809 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.435 4.885 -0.343 1.00 0.00 H new ATOM 454 N PHE A 32 -2.464 4.976 -1.380 1.00 0.00 N ATOM 455 CA PHE A 32 -3.375 6.103 -1.543 1.00 0.00 C ATOM 456 C PHE A 32 -2.669 7.421 -1.237 1.00 0.00 C ATOM 457 O PHE A 32 -2.343 7.710 -0.085 1.00 0.00 O ATOM 458 CB PHE A 32 -4.592 5.939 -0.630 1.00 0.00 C ATOM 459 CG PHE A 32 -5.247 4.592 -0.741 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.746 4.148 -1.955 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.366 3.771 0.368 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.350 2.909 -2.061 1.00 0.00 C ATOM 463 CE2 PHE A 32 -5.968 2.531 0.268 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.461 2.100 -0.948 1.00 0.00 C ATOM 0 H PHE A 32 -2.609 4.437 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.708 6.122 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.285 6.101 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.323 6.711 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.662 4.777 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.984 4.104 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.734 2.574 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.053 1.900 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.933 1.132 -1.028 1.00 0.00 H new ATOM 474 N TYR A 33 -2.436 8.215 -2.275 1.00 0.00 N ATOM 475 CA TYR A 33 -1.766 9.501 -2.119 1.00 0.00 C ATOM 476 C TYR A 33 -2.712 10.651 -2.450 1.00 0.00 C ATOM 477 O TYR A 33 -3.620 10.508 -3.268 1.00 0.00 O ATOM 478 CB TYR A 33 -0.530 9.568 -3.017 1.00 0.00 C ATOM 479 CG TYR A 33 -0.856 9.688 -4.489 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.152 10.921 -5.057 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.871 8.568 -5.311 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.451 11.036 -6.400 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.167 8.673 -6.656 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.457 9.909 -7.196 1.00 0.00 C ATOM 485 OH TYR A 33 -1.755 10.018 -8.535 1.00 0.00 O ATOM 0 H TYR A 33 -2.701 7.991 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.456 9.597 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.080 10.420 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.073 8.674 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.148 11.805 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.647 7.598 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.679 12.002 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.171 7.793 -7.281 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.727 9.998 -8.656 1.00 0.00 H new ATOM 495 N ALA A 34 -2.492 11.793 -1.806 1.00 0.00 N ATOM 496 CA ALA A 34 -3.322 12.970 -2.033 1.00 0.00 C ATOM 497 C ALA A 34 -2.513 14.098 -2.665 1.00 0.00 C ATOM 498 O ALA A 34 -1.447 14.478 -2.179 1.00 0.00 O ATOM 499 CB ALA A 34 -3.947 13.434 -0.726 1.00 0.00 C ATOM 0 H ALA A 34 -1.746 11.928 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.117 12.696 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.564 14.313 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.566 12.636 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.160 13.685 -0.015 1.00 0.00 H new ATOM 505 N PRO A 35 -3.030 14.649 -3.773 1.00 0.00 N ATOM 506 CA PRO A 35 -2.372 15.742 -4.495 1.00 0.00 C ATOM 507 C PRO A 35 -2.399 17.051 -3.715 1.00 0.00 C ATOM 508 O PRO A 35 -1.868 18.065 -4.167 1.00 0.00 O ATOM 509 CB PRO A 35 -3.197 15.867 -5.778 1.00 0.00 C ATOM 510 CG PRO A 35 -4.540 15.332 -5.418 1.00 0.00 C ATOM 511 CD PRO A 35 -4.297 14.246 -4.407 1.00 0.00 C ATOM 0 HA PRO A 35 -1.316 15.537 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.259 16.904 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.750 15.298 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.174 16.116 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.052 14.939 -6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.108 14.184 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.217 13.267 -4.880 1.00 0.00 H new ATOM 519 N TRP A 36 -3.020 17.022 -2.541 1.00 0.00 N ATOM 520 CA TRP A 36 -3.116 18.208 -1.697 1.00 0.00 C ATOM 521 C TRP A 36 -2.418 17.983 -0.361 1.00 0.00 C ATOM 522 O TRP A 36 -2.578 18.769 0.574 1.00 0.00 O ATOM 523 CB TRP A 36 -4.582 18.577 -1.466 1.00 0.00 C ATOM 524 CG TRP A 36 -5.460 17.390 -1.205 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.294 16.777 -2.095 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.591 16.676 0.029 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.936 15.724 -1.489 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.521 15.640 -0.186 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.011 16.808 1.293 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.884 14.746 0.817 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.373 15.920 2.288 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.301 14.899 2.046 1.00 0.00 C ATOM 0 H TRP A 36 -3.464 16.190 -2.152 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.619 19.031 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.648 19.261 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.956 19.112 -2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.429 17.076 -3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.612 15.105 -1.937 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.292 17.590 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.600 13.959 0.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.933 16.015 3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.561 14.220 2.844 1.00 0.00 H new ATOM 543 N CYS A 37 -1.645 16.906 -0.276 1.00 0.00 N ATOM 544 CA CYS A 37 -0.922 16.578 0.948 1.00 0.00 C ATOM 545 C CYS A 37 0.584 16.678 0.734 1.00 0.00 C ATOM 546 O CYS A 37 1.115 16.181 -0.258 1.00 0.00 O ATOM 547 CB CYS A 37 -1.290 15.170 1.419 1.00 0.00 C ATOM 548 SG CYS A 37 -0.712 14.776 3.087 1.00 0.00 S ATOM 0 H CYS A 37 -1.503 16.245 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.209 17.297 1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.374 15.059 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.873 14.444 0.721 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.883 13.508 3.317 1.00 0.00 H new ATOM 554 N GLY A 38 1.268 17.327 1.671 1.00 0.00 N ATOM 555 CA GLY A 38 2.707 17.483 1.566 1.00 0.00 C ATOM 556 C GLY A 38 3.461 16.276 2.088 1.00 0.00 C ATOM 557 O GLY A 38 4.618 16.054 1.728 1.00 0.00 O ATOM 0 H GLY A 38 0.851 17.748 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.976 17.652 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.015 18.368 2.122 1.00 0.00 H new ATOM 561 N HIS A 39 2.806 15.494 2.940 1.00 0.00 N ATOM 562 CA HIS A 39 3.422 14.303 3.514 1.00 0.00 C ATOM 563 C HIS A 39 3.534 13.194 2.472 1.00 0.00 C ATOM 564 O HIS A 39 4.240 12.206 2.677 1.00 0.00 O ATOM 565 CB HIS A 39 2.612 13.812 4.714 1.00 0.00 C ATOM 566 CG HIS A 39 2.712 14.707 5.911 1.00 0.00 C ATOM 567 ND1 HIS A 39 3.883 15.329 6.290 1.00 0.00 N ATOM 568 CD2 HIS A 39 1.777 15.085 6.814 1.00 0.00 C ATOM 569 CE1 HIS A 39 3.664 16.049 7.375 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.394 15.918 7.714 1.00 0.00 N ATOM 0 H HIS A 39 1.849 15.664 3.248 1.00 0.00 H new ATOM 0 HA HIS A 39 4.426 14.567 3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.565 13.723 4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.953 12.813 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.739 14.787 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.399 16.644 7.897 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.945 16.363 8.514 1.00 0.00 H new ATOM 579 N CYS A 40 2.834 13.364 1.356 1.00 0.00 N ATOM 580 CA CYS A 40 2.854 12.376 0.283 1.00 0.00 C ATOM 581 C CYS A 40 3.852 12.770 -0.800 1.00 0.00 C ATOM 582 O CYS A 40 4.511 11.916 -1.393 1.00 0.00 O ATOM 583 CB CYS A 40 1.458 12.223 -0.323 1.00 0.00 C ATOM 584 SG CYS A 40 1.093 13.405 -1.642 1.00 0.00 S ATOM 0 H CYS A 40 2.246 14.176 1.170 1.00 0.00 H new ATOM 0 HA CYS A 40 3.165 11.421 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.353 11.212 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.716 12.336 0.467 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.186 13.635 -1.677 1.00 0.00 H new ATOM 590 N LYS A 41 3.958 14.070 -1.055 1.00 0.00 N ATOM 591 CA LYS A 41 4.875 14.579 -2.068 1.00 0.00 C ATOM 592 C LYS A 41 6.315 14.199 -1.738 1.00 0.00 C ATOM 593 O LYS A 41 7.149 14.058 -2.632 1.00 0.00 O ATOM 594 CB LYS A 41 4.751 16.100 -2.179 1.00 0.00 C ATOM 595 CG LYS A 41 5.413 16.850 -1.035 1.00 0.00 C ATOM 596 CD LYS A 41 5.935 18.204 -1.484 1.00 0.00 C ATOM 597 CE LYS A 41 7.146 18.632 -0.670 1.00 0.00 C ATOM 598 NZ LYS A 41 7.612 19.997 -1.044 1.00 0.00 N ATOM 0 H LYS A 41 3.420 14.790 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 41 4.608 14.128 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.195 16.425 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.695 16.368 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.696 16.986 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.235 16.256 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.202 18.160 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.147 18.950 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.896 18.612 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.956 17.918 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.439 20.252 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.875 20.011 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.848 20.683 -0.876 1.00 0.00 H new ATOM 612 N GLN A 42 6.598 14.032 -0.450 1.00 0.00 N ATOM 613 CA GLN A 42 7.938 13.667 -0.004 1.00 0.00 C ATOM 614 C GLN A 42 8.231 12.201 -0.307 1.00 0.00 C ATOM 615 O GLN A 42 9.383 11.819 -0.520 1.00 0.00 O ATOM 616 CB GLN A 42 8.089 13.931 1.495 1.00 0.00 C ATOM 617 CG GLN A 42 7.525 12.822 2.368 1.00 0.00 C ATOM 618 CD GLN A 42 7.771 13.060 3.845 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.498 14.142 4.365 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.289 12.047 4.529 1.00 0.00 N ATOM 0 H GLN A 42 5.918 14.143 0.302 1.00 0.00 H new ATOM 0 HA GLN A 42 8.655 14.282 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.146 14.063 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.589 14.867 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.453 12.735 2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.974 11.872 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.500 11.168 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.476 12.148 5.527 1.00 0.00 H new ATOM 629 N LEU A 43 7.184 11.385 -0.323 1.00 0.00 N ATOM 630 CA LEU A 43 7.329 9.959 -0.599 1.00 0.00 C ATOM 631 C LEU A 43 7.338 9.694 -2.100 1.00 0.00 C ATOM 632 O LEU A 43 7.715 8.610 -2.546 1.00 0.00 O ATOM 633 CB LEU A 43 6.195 9.174 0.063 1.00 0.00 C ATOM 634 CG LEU A 43 6.190 7.665 -0.185 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.315 6.993 0.587 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.845 7.066 0.199 1.00 0.00 C ATOM 0 H LEU A 43 6.225 11.685 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 43 8.281 9.628 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.241 9.345 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.246 9.582 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 43 6.353 7.491 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.295 5.920 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.273 7.401 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.184 7.176 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.860 5.992 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.652 7.251 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.058 7.525 -0.399 1.00 0.00 H new ATOM 648 N GLU A 44 6.922 10.691 -2.875 1.00 0.00 N ATOM 649 CA GLU A 44 6.884 10.564 -4.327 1.00 0.00 C ATOM 650 C GLU A 44 8.079 9.763 -4.835 1.00 0.00 C ATOM 651 O GLU A 44 7.934 8.717 -5.468 1.00 0.00 O ATOM 652 CB GLU A 44 6.867 11.947 -4.982 1.00 0.00 C ATOM 653 CG GLU A 44 5.470 12.454 -5.297 1.00 0.00 C ATOM 654 CD GLU A 44 5.481 13.664 -6.212 1.00 0.00 C ATOM 655 OE1 GLU A 44 6.546 13.956 -6.795 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.426 14.319 -6.343 1.00 0.00 O ATOM 0 H GLU A 44 6.607 11.595 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 44 5.972 10.032 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.362 12.659 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.448 11.910 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.894 11.655 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.962 12.711 -4.367 1.00 0.00 H new ATOM 663 N PRO A 45 9.290 10.265 -4.553 1.00 0.00 N ATOM 664 CA PRO A 45 10.535 9.614 -4.971 1.00 0.00 C ATOM 665 C PRO A 45 10.790 8.313 -4.217 1.00 0.00 C ATOM 666 O PRO A 45 11.072 7.279 -4.822 1.00 0.00 O ATOM 667 CB PRO A 45 11.609 10.649 -4.631 1.00 0.00 C ATOM 668 CG PRO A 45 11.017 11.464 -3.534 1.00 0.00 C ATOM 669 CD PRO A 45 9.538 11.508 -3.803 1.00 0.00 C ATOM 0 HA PRO A 45 10.514 9.333 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.534 10.169 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.852 11.266 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.224 11.018 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.441 12.468 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.962 11.541 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.261 12.389 -4.382 1.00 0.00 H new ATOM 677 N ILE A 46 10.689 8.373 -2.893 1.00 0.00 N ATOM 678 CA ILE A 46 10.908 7.199 -2.057 1.00 0.00 C ATOM 679 C ILE A 46 10.129 5.998 -2.581 1.00 0.00 C ATOM 680 O ILE A 46 10.597 4.862 -2.509 1.00 0.00 O ATOM 681 CB ILE A 46 10.499 7.465 -0.596 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.307 8.630 -0.021 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.694 6.212 0.244 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.639 9.306 1.156 1.00 0.00 C ATOM 0 H ILE A 46 10.457 9.222 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 46 11.975 6.980 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 46 9.443 7.734 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.286 8.265 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.475 9.367 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.401 6.415 1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.079 5.406 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.743 5.915 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.268 10.122 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.671 9.702 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.496 8.582 1.958 1.00 0.00 H new ATOM 696 N TYR A 47 8.939 6.257 -3.111 1.00 0.00 N ATOM 697 CA TYR A 47 8.094 5.197 -3.648 1.00 0.00 C ATOM 698 C TYR A 47 8.560 4.780 -5.039 1.00 0.00 C ATOM 699 O TYR A 47 8.560 3.597 -5.379 1.00 0.00 O ATOM 700 CB TYR A 47 6.636 5.657 -3.703 1.00 0.00 C ATOM 701 CG TYR A 47 5.639 4.527 -3.583 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.756 3.575 -2.577 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.580 4.411 -4.474 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.848 2.540 -2.464 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.666 3.380 -4.368 1.00 0.00 C ATOM 706 CZ TYR A 47 3.805 2.447 -3.362 1.00 0.00 C ATOM 707 OH TYR A 47 2.898 1.418 -3.251 1.00 0.00 O ATOM 0 H TYR A 47 8.538 7.192 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 47 8.172 4.335 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.459 6.373 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.465 6.183 -4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.571 3.646 -1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.469 5.139 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.954 1.808 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.848 3.305 -5.069 1.00 0.00 H new ATOM 0 HH TYR A 47 2.225 1.497 -3.959 1.00 0.00 H new ATOM 717 N THR A 48 8.960 5.762 -5.841 1.00 0.00 N ATOM 718 CA THR A 48 9.429 5.500 -7.196 1.00 0.00 C ATOM 719 C THR A 48 10.434 4.353 -7.217 1.00 0.00 C ATOM 720 O THR A 48 10.259 3.376 -7.945 1.00 0.00 O ATOM 721 CB THR A 48 10.080 6.750 -7.817 1.00 0.00 C ATOM 722 OG1 THR A 48 9.174 7.856 -7.755 1.00 0.00 O ATOM 723 CG2 THR A 48 10.476 6.492 -9.263 1.00 0.00 C ATOM 0 H THR A 48 8.968 6.747 -5.575 1.00 0.00 H new ATOM 0 HA THR A 48 8.555 5.225 -7.786 1.00 0.00 H new ATOM 0 HB THR A 48 10.979 6.985 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.984 8.071 -6.818 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.934 7.389 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.189 5.668 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.590 6.234 -9.842 1.00 0.00 H new ATOM 731 N SER A 49 11.485 4.479 -6.414 1.00 0.00 N ATOM 732 CA SER A 49 12.520 3.454 -6.344 1.00 0.00 C ATOM 733 C SER A 49 11.957 2.152 -5.782 1.00 0.00 C ATOM 734 O SER A 49 12.312 1.062 -6.234 1.00 0.00 O ATOM 735 CB SER A 49 13.686 3.935 -5.477 1.00 0.00 C ATOM 736 OG SER A 49 14.383 4.997 -6.105 1.00 0.00 O ATOM 0 H SER A 49 11.643 5.280 -5.803 1.00 0.00 H new ATOM 0 HA SER A 49 12.881 3.267 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.311 4.264 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.370 3.107 -5.290 1.00 0.00 H new ATOM 0 HG SER A 49 15.122 5.288 -5.531 1.00 0.00 H new ATOM 742 N LEU A 50 11.078 2.273 -4.793 1.00 0.00 N ATOM 743 CA LEU A 50 10.465 1.106 -4.168 1.00 0.00 C ATOM 744 C LEU A 50 9.737 0.253 -5.202 1.00 0.00 C ATOM 745 O LEU A 50 9.618 -0.961 -5.047 1.00 0.00 O ATOM 746 CB LEU A 50 9.489 1.543 -3.074 1.00 0.00 C ATOM 747 CG LEU A 50 9.051 0.456 -2.092 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.077 0.294 -0.981 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.682 0.781 -1.513 1.00 0.00 C ATOM 0 H LEU A 50 10.774 3.167 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 50 11.258 0.506 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.949 2.353 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.599 1.953 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 50 8.980 -0.488 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.748 -0.484 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.038 0.014 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.181 1.236 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.386 -0.003 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.726 1.735 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.952 0.844 -2.320 1.00 0.00 H new ATOM 761 N GLY A 51 9.254 0.898 -6.260 1.00 0.00 N ATOM 762 CA GLY A 51 8.546 0.183 -7.306 1.00 0.00 C ATOM 763 C GLY A 51 9.478 -0.351 -8.375 1.00 0.00 C ATOM 764 O GLY A 51 9.536 -1.558 -8.614 1.00 0.00 O ATOM 0 H GLY A 51 9.341 1.903 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.992 -0.645 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.814 0.848 -7.765 1.00 0.00 H new ATOM 768 N LYS A 52 10.209 0.549 -9.024 1.00 0.00 N ATOM 769 CA LYS A 52 11.143 0.163 -10.075 1.00 0.00 C ATOM 770 C LYS A 52 12.070 -0.950 -9.598 1.00 0.00 C ATOM 771 O LYS A 52 12.491 -1.801 -10.382 1.00 0.00 O ATOM 772 CB LYS A 52 11.969 1.372 -10.521 1.00 0.00 C ATOM 773 CG LYS A 52 13.203 1.614 -9.669 1.00 0.00 C ATOM 774 CD LYS A 52 13.832 2.964 -9.969 1.00 0.00 C ATOM 775 CE LYS A 52 14.096 3.138 -11.457 1.00 0.00 C ATOM 776 NZ LYS A 52 14.959 4.319 -11.733 1.00 0.00 N ATOM 0 H LYS A 52 10.172 1.552 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 52 10.565 -0.207 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.276 1.230 -11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.339 2.261 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.933 1.564 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.932 0.824 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.173 3.759 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.768 3.061 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.574 2.240 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.148 3.250 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.115 4.403 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.492 5.180 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.873 4.201 -11.252 1.00 0.00 H new ATOM 790 N LYS A 53 12.383 -0.940 -8.307 1.00 0.00 N ATOM 791 CA LYS A 53 13.258 -1.951 -7.723 1.00 0.00 C ATOM 792 C LYS A 53 12.513 -3.267 -7.526 1.00 0.00 C ATOM 793 O LYS A 53 13.021 -4.336 -7.864 1.00 0.00 O ATOM 794 CB LYS A 53 13.814 -1.462 -6.384 1.00 0.00 C ATOM 795 CG LYS A 53 12.916 -1.777 -5.201 1.00 0.00 C ATOM 796 CD LYS A 53 13.454 -1.171 -3.915 1.00 0.00 C ATOM 797 CE LYS A 53 14.958 -1.360 -3.796 1.00 0.00 C ATOM 798 NZ LYS A 53 15.460 -0.978 -2.448 1.00 0.00 N ATOM 0 H LYS A 53 12.044 -0.243 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 53 14.085 -2.122 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.791 -1.916 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.968 -0.384 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.913 -1.395 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.829 -2.857 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.217 -0.108 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.960 -1.632 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.210 -2.402 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.461 -0.760 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.489 -1.121 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.242 0.023 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.000 -1.568 -1.726 1.00 0.00 H new ATOM 812 N TYR A 54 11.305 -3.182 -6.979 1.00 0.00 N ATOM 813 CA TYR A 54 10.490 -4.366 -6.736 1.00 0.00 C ATOM 814 C TYR A 54 9.695 -4.745 -7.982 1.00 0.00 C ATOM 815 O TYR A 54 8.950 -5.725 -7.983 1.00 0.00 O ATOM 816 CB TYR A 54 9.538 -4.124 -5.564 1.00 0.00 C ATOM 817 CG TYR A 54 10.166 -4.378 -4.212 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.841 -3.368 -3.537 1.00 0.00 C ATOM 819 CD2 TYR A 54 10.082 -5.627 -3.609 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.417 -3.596 -2.302 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.654 -5.863 -2.373 1.00 0.00 C ATOM 822 CZ TYR A 54 11.320 -4.844 -1.724 1.00 0.00 C ATOM 823 OH TYR A 54 11.891 -5.074 -0.493 1.00 0.00 O ATOM 0 H TYR A 54 10.869 -2.305 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 54 11.158 -5.191 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.182 -3.094 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.665 -4.767 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.917 -2.388 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.561 -6.427 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.940 -2.801 -1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.580 -6.840 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 54 11.255 -4.833 0.213 1.00 0.00 H new ATOM 833 N LYS A 55 9.860 -3.961 -9.042 1.00 0.00 N ATOM 834 CA LYS A 55 9.161 -4.213 -10.296 1.00 0.00 C ATOM 835 C LYS A 55 9.544 -5.574 -10.869 1.00 0.00 C ATOM 836 O LYS A 55 8.783 -6.177 -11.625 1.00 0.00 O ATOM 837 CB LYS A 55 9.479 -3.112 -11.311 1.00 0.00 C ATOM 838 CG LYS A 55 10.727 -3.384 -12.132 1.00 0.00 C ATOM 839 CD LYS A 55 11.027 -2.240 -13.086 1.00 0.00 C ATOM 840 CE LYS A 55 10.303 -2.416 -14.412 1.00 0.00 C ATOM 841 NZ LYS A 55 11.095 -3.233 -15.372 1.00 0.00 N ATOM 0 H LYS A 55 10.472 -3.145 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 55 8.090 -4.213 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.630 -2.994 -11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.601 -2.166 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.576 -3.535 -11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.597 -4.307 -12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.728 -1.296 -12.630 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.101 -2.183 -13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.338 -2.893 -14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.101 -1.438 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.568 -3.330 -16.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.005 -2.765 -15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.266 -4.175 -14.967 1.00 0.00 H new ATOM 855 N GLY A 56 10.730 -6.052 -10.504 1.00 0.00 N ATOM 856 CA GLY A 56 11.193 -7.339 -10.990 1.00 0.00 C ATOM 857 C GLY A 56 11.091 -8.426 -9.939 1.00 0.00 C ATOM 858 O GLY A 56 11.959 -9.294 -9.851 1.00 0.00 O ATOM 0 H GLY A 56 11.378 -5.571 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.607 -7.626 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.229 -7.249 -11.316 1.00 0.00 H new ATOM 862 N GLN A 57 10.030 -8.378 -9.141 1.00 0.00 N ATOM 863 CA GLN A 57 9.820 -9.366 -8.089 1.00 0.00 C ATOM 864 C GLN A 57 8.806 -10.418 -8.525 1.00 0.00 C ATOM 865 O GLN A 57 8.205 -10.311 -9.594 1.00 0.00 O ATOM 866 CB GLN A 57 9.345 -8.683 -6.805 1.00 0.00 C ATOM 867 CG GLN A 57 9.941 -9.281 -5.541 1.00 0.00 C ATOM 868 CD GLN A 57 9.065 -10.361 -4.938 1.00 0.00 C ATOM 869 OE1 GLN A 57 7.810 -10.021 -4.664 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 9.509 -11.488 -4.719 1.00 0.00 N flip ATOM 0 H GLN A 57 9.302 -7.666 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 57 10.771 -9.862 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.600 -7.624 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.258 -8.747 -6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.922 -9.699 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.094 -8.490 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.479 -11.707 -4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.907 -12.203 -4.312 1.00 0.00 H new ATOM 879 N LYS A 58 8.619 -11.435 -7.690 1.00 0.00 N ATOM 880 CA LYS A 58 7.677 -12.507 -7.987 1.00 0.00 C ATOM 881 C LYS A 58 6.244 -12.063 -7.710 1.00 0.00 C ATOM 882 O LYS A 58 5.891 -11.744 -6.575 1.00 0.00 O ATOM 883 CB LYS A 58 8.007 -13.749 -7.157 1.00 0.00 C ATOM 884 CG LYS A 58 8.975 -14.698 -7.841 1.00 0.00 C ATOM 885 CD LYS A 58 8.244 -15.727 -8.687 1.00 0.00 C ATOM 886 CE LYS A 58 7.882 -15.168 -10.054 1.00 0.00 C ATOM 887 NZ LYS A 58 9.057 -14.548 -10.729 1.00 0.00 N ATOM 0 H LYS A 58 9.108 -11.539 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 58 7.765 -12.752 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.431 -13.436 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.083 -14.283 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.660 -14.129 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.579 -15.206 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.870 -16.611 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.338 -16.046 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.484 -15.967 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.092 -14.425 -9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.988 -14.700 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.073 -13.527 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.932 -14.984 -10.373 1.00 0.00 H new ATOM 901 N ASP A 59 5.422 -12.047 -8.754 1.00 0.00 N ATOM 902 CA ASP A 59 4.026 -11.646 -8.623 1.00 0.00 C ATOM 903 C ASP A 59 3.892 -10.444 -7.693 1.00 0.00 C ATOM 904 O ASP A 59 3.146 -10.483 -6.714 1.00 0.00 O ATOM 905 CB ASP A 59 3.186 -12.810 -8.096 1.00 0.00 C ATOM 906 CG ASP A 59 3.787 -14.159 -8.438 1.00 0.00 C ATOM 907 OD1 ASP A 59 3.529 -14.658 -9.554 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.515 -14.716 -7.590 1.00 0.00 O ATOM 0 H ASP A 59 5.699 -12.307 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 59 3.661 -11.362 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.088 -12.723 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.181 -12.747 -8.513 1.00 0.00 H new ATOM 913 N LEU A 60 4.619 -9.377 -8.006 1.00 0.00 N ATOM 914 CA LEU A 60 4.583 -8.163 -7.198 1.00 0.00 C ATOM 915 C LEU A 60 4.629 -6.920 -8.081 1.00 0.00 C ATOM 916 O LEU A 60 5.521 -6.771 -8.916 1.00 0.00 O ATOM 917 CB LEU A 60 5.753 -8.146 -6.213 1.00 0.00 C ATOM 918 CG LEU A 60 5.562 -7.294 -4.958 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.683 -8.019 -3.950 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.908 -6.944 -4.340 1.00 0.00 C ATOM 0 H LEU A 60 5.240 -9.328 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 60 3.647 -8.156 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.957 -9.171 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.639 -7.789 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 60 5.064 -6.367 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.558 -7.398 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.708 -8.218 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.153 -8.962 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.752 -6.337 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.433 -7.860 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.504 -6.384 -5.060 1.00 0.00 H new ATOM 932 N VAL A 61 3.662 -6.027 -7.889 1.00 0.00 N ATOM 933 CA VAL A 61 3.594 -4.795 -8.665 1.00 0.00 C ATOM 934 C VAL A 61 3.181 -3.617 -7.791 1.00 0.00 C ATOM 935 O VAL A 61 2.014 -3.484 -7.422 1.00 0.00 O ATOM 936 CB VAL A 61 2.603 -4.924 -9.837 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.514 -3.616 -10.608 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.008 -6.067 -10.755 1.00 0.00 C ATOM 0 H VAL A 61 2.915 -6.135 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 61 4.593 -4.615 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 61 1.616 -5.147 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.809 -3.727 -11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.172 -2.824 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.497 -3.359 -11.003 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.296 -6.143 -11.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.005 -5.878 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.014 -7.001 -10.193 1.00 0.00 H new ATOM 948 N ILE A 62 4.145 -2.763 -7.463 1.00 0.00 N ATOM 949 CA ILE A 62 3.880 -1.595 -6.633 1.00 0.00 C ATOM 950 C ILE A 62 3.146 -0.516 -7.422 1.00 0.00 C ATOM 951 O ILE A 62 3.718 0.118 -8.308 1.00 0.00 O ATOM 952 CB ILE A 62 5.183 -1.002 -6.064 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.750 -1.913 -4.974 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.934 0.396 -5.518 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.971 -1.345 -4.286 1.00 0.00 C ATOM 0 H ILE A 62 5.116 -2.858 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 62 3.252 -1.930 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 62 5.915 -0.931 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.977 -2.099 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.006 -2.877 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.864 0.802 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.571 1.040 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.189 0.349 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.318 -2.044 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.761 -1.185 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.715 -0.395 -3.816 1.00 0.00 H new ATOM 967 N ALA A 63 1.875 -0.311 -7.091 1.00 0.00 N ATOM 968 CA ALA A 63 1.063 0.694 -7.765 1.00 0.00 C ATOM 969 C ALA A 63 0.510 1.710 -6.771 1.00 0.00 C ATOM 970 O ALA A 63 0.506 1.473 -5.563 1.00 0.00 O ATOM 971 CB ALA A 63 -0.072 0.029 -8.530 1.00 0.00 C ATOM 0 H ALA A 63 1.386 -0.828 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 63 1.700 1.226 -8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.670 0.791 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.341 -0.652 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.700 -0.529 -7.836 1.00 0.00 H new ATOM 977 N LYS A 64 0.043 2.842 -7.287 1.00 0.00 N ATOM 978 CA LYS A 64 -0.513 3.895 -6.446 1.00 0.00 C ATOM 979 C LYS A 64 -1.879 4.337 -6.959 1.00 0.00 C ATOM 980 O LYS A 64 -2.246 4.053 -8.099 1.00 0.00 O ATOM 981 CB LYS A 64 0.438 5.093 -6.398 1.00 0.00 C ATOM 982 CG LYS A 64 0.694 5.722 -7.757 1.00 0.00 C ATOM 983 CD LYS A 64 1.599 6.937 -7.648 1.00 0.00 C ATOM 984 CE LYS A 64 1.867 7.556 -9.011 1.00 0.00 C ATOM 985 NZ LYS A 64 2.775 6.712 -9.835 1.00 0.00 N ATOM 0 H LYS A 64 0.039 3.054 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.635 3.495 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.024 5.848 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.388 4.775 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.150 4.986 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.254 6.013 -8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.138 7.678 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.543 6.649 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.923 7.696 -9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.309 8.544 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.721 7.012 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.752 6.817 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.487 5.716 -9.758 1.00 0.00 H new ATOM 999 N MET A 65 -2.629 5.033 -6.110 1.00 0.00 N ATOM 1000 CA MET A 65 -3.954 5.516 -6.480 1.00 0.00 C ATOM 1001 C MET A 65 -4.318 6.766 -5.686 1.00 0.00 C ATOM 1002 O MET A 65 -3.774 7.009 -4.609 1.00 0.00 O ATOM 1003 CB MET A 65 -5.001 4.426 -6.246 1.00 0.00 C ATOM 1004 CG MET A 65 -6.405 4.832 -6.663 1.00 0.00 C ATOM 1005 SD MET A 65 -7.447 3.417 -7.068 1.00 0.00 S ATOM 1006 CE MET A 65 -8.676 3.519 -5.769 1.00 0.00 C ATOM 0 H MET A 65 -2.341 5.275 -5.162 1.00 0.00 H new ATOM 0 HA MET A 65 -3.937 5.772 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.712 3.531 -6.797 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.007 4.161 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.869 5.401 -5.857 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.346 5.494 -7.527 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.596 2.645 -5.123 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.509 4.421 -5.180 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.671 3.553 -6.212 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.241 7.555 -6.224 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.679 8.781 -5.565 1.00 0.00 C ATOM 1018 C ASP A 66 -7.048 8.591 -4.919 1.00 0.00 C ATOM 1019 O ASP A 66 -8.069 8.986 -5.479 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.729 9.934 -6.568 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.413 10.680 -6.659 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.871 11.061 -5.600 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.923 10.882 -7.790 1.00 0.00 O ATOM 0 H ASP A 66 -5.701 7.368 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.959 9.022 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.991 9.545 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.518 10.629 -6.279 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.060 7.983 -3.737 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.302 7.742 -3.015 1.00 0.00 C ATOM 1030 C ALA A 67 -9.172 8.994 -2.985 1.00 0.00 C ATOM 1031 O ALA A 67 -10.398 8.910 -2.910 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.006 7.268 -1.599 1.00 0.00 C ATOM 0 H ALA A 67 -6.223 7.649 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.853 6.962 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.943 7.092 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.432 6.342 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.431 8.030 -1.073 1.00 0.00 H new ATOM 1038 N THR A 68 -8.530 10.156 -3.044 1.00 0.00 N ATOM 1039 CA THR A 68 -9.244 11.426 -3.022 1.00 0.00 C ATOM 1040 C THR A 68 -10.215 11.531 -4.192 1.00 0.00 C ATOM 1041 O THR A 68 -11.298 12.103 -4.064 1.00 0.00 O ATOM 1042 CB THR A 68 -8.271 12.620 -3.068 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.585 12.643 -4.325 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.260 12.538 -1.934 1.00 0.00 C ATOM 0 H THR A 68 -7.516 10.244 -3.107 1.00 0.00 H new ATOM 0 HA THR A 68 -9.802 11.458 -2.086 1.00 0.00 H new ATOM 0 HB THR A 68 -8.849 13.537 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.093 13.486 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.584 13.391 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.784 12.549 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.687 11.615 -2.023 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.822 10.975 -5.333 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.659 11.004 -6.526 1.00 0.00 C ATOM 1054 C ALA A 69 -11.314 9.649 -6.770 1.00 0.00 C ATOM 1055 O ALA A 69 -12.503 9.570 -7.076 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.838 11.422 -7.737 1.00 0.00 C ATOM 0 H ALA A 69 -8.929 10.499 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.450 11.737 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.476 11.439 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.423 12.416 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.026 10.711 -7.889 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.530 8.584 -6.633 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.034 7.232 -6.840 1.00 0.00 C ATOM 1064 C ASN A 70 -11.919 6.797 -5.675 1.00 0.00 C ATOM 1065 O ASN A 70 -11.602 7.051 -4.513 1.00 0.00 O ATOM 1066 CB ASN A 70 -9.871 6.251 -7.005 1.00 0.00 C ATOM 1067 CG ASN A 70 -8.643 6.907 -7.607 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -7.645 7.128 -6.922 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.713 7.222 -8.896 1.00 0.00 N ATOM 0 H ASN A 70 -9.543 8.632 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.634 7.230 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.615 5.829 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.185 5.422 -7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.918 7.666 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.561 7.020 -9.425 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.028 6.140 -5.996 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.958 5.668 -4.977 1.00 0.00 C ATOM 1078 C ASP A 71 -13.661 4.220 -4.599 1.00 0.00 C ATOM 1079 O ASP A 71 -13.919 3.300 -5.376 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.399 5.793 -5.474 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.664 7.122 -6.153 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.461 8.170 -5.504 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.076 7.115 -7.332 1.00 0.00 O ATOM 0 H ASP A 71 -13.305 5.922 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.833 6.289 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.611 4.983 -6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.082 5.676 -4.633 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.117 4.026 -3.402 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.785 2.690 -2.922 1.00 0.00 C ATOM 1090 C ILE A 72 -14.044 1.901 -2.580 1.00 0.00 C ATOM 1091 O ILE A 72 -14.512 1.920 -1.441 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.875 2.748 -1.681 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.647 3.617 -1.961 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.456 1.346 -1.266 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.858 3.967 -0.719 1.00 0.00 C ATOM 0 H ILE A 72 -12.897 4.777 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.252 2.187 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.434 3.197 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.995 3.095 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.967 4.537 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.813 1.403 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.342 0.757 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.912 0.872 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.002 4.584 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.495 4.517 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.507 3.052 -0.241 1.00 0.00 H new ATOM 1107 N THR A 73 -14.587 1.204 -3.573 1.00 0.00 N ATOM 1108 CA THR A 73 -15.791 0.407 -3.378 1.00 0.00 C ATOM 1109 C THR A 73 -15.627 -0.561 -2.211 1.00 0.00 C ATOM 1110 O THR A 73 -16.587 -0.867 -1.506 1.00 0.00 O ATOM 1111 CB THR A 73 -16.148 -0.392 -4.646 1.00 0.00 C ATOM 1112 OG1 THR A 73 -15.077 -1.281 -4.983 1.00 0.00 O ATOM 1113 CG2 THR A 73 -16.425 0.543 -5.814 1.00 0.00 C ATOM 0 H THR A 73 -14.211 1.176 -4.521 1.00 0.00 H new ATOM 0 HA THR A 73 -16.599 1.105 -3.157 1.00 0.00 H new ATOM 0 HB THR A 73 -17.049 -0.971 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.313 -1.786 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.675 -0.043 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.260 1.198 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.539 1.145 -6.016 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.403 -1.039 -2.013 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.113 -1.973 -0.931 1.00 0.00 C ATOM 1123 C ASN A 74 -14.659 -1.454 0.396 1.00 0.00 C ATOM 1124 O ASN A 74 -15.101 -0.309 0.492 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.604 -2.203 -0.819 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.070 -3.086 -1.930 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -12.127 -2.726 -3.106 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.548 -4.250 -1.562 1.00 0.00 N ATOM 0 H ASN A 74 -13.596 -0.795 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.602 -2.920 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.090 -1.242 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.379 -2.660 0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.174 -4.886 -2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.521 -4.508 -0.575 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.624 -2.304 1.416 1.00 0.00 N ATOM 1136 CA ASP A 75 -15.114 -1.932 2.738 1.00 0.00 C ATOM 1137 C ASP A 75 -14.069 -2.230 3.809 1.00 0.00 C ATOM 1138 O ASP A 75 -14.376 -2.251 5.000 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.412 -2.677 3.054 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.612 -2.073 2.351 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -18.126 -1.043 2.834 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.037 -2.631 1.317 1.00 0.00 O ATOM 0 H ASP A 75 -14.261 -3.255 1.353 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.311 -0.860 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.309 -3.721 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.581 -2.665 4.131 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.834 -2.460 3.375 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.744 -2.759 4.297 1.00 0.00 C ATOM 1149 C GLN A 76 -10.618 -1.740 4.157 1.00 0.00 C ATOM 1150 O GLN A 76 -9.906 -1.451 5.119 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.207 -4.169 4.044 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.828 -4.425 2.595 1.00 0.00 C ATOM 1153 CD GLN A 76 -11.004 -5.877 2.193 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.110 -6.481 1.599 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.160 -6.445 2.517 1.00 0.00 N ATOM 0 H GLN A 76 -12.563 -2.445 2.392 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.135 -2.704 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.333 -4.334 4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.961 -4.896 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.439 -3.796 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.790 -4.132 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.873 -5.906 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.335 -7.420 2.274 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.462 -1.200 2.953 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.421 -0.215 2.687 1.00 0.00 C ATOM 1166 C TYR A 77 -9.889 1.188 3.061 1.00 0.00 C ATOM 1167 O TYR A 77 -10.583 1.850 2.290 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.018 -0.254 1.211 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.341 -1.542 0.802 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.059 -2.728 0.708 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.983 -1.574 0.509 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.444 -3.908 0.335 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.360 -2.748 0.134 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.095 -3.913 0.049 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.479 -5.085 -0.324 1.00 0.00 O ATOM 0 H TYR A 77 -11.043 -1.428 2.146 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.555 -0.465 3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.907 -0.109 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.348 0.580 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.116 -2.728 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.404 -0.664 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.017 -4.821 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.304 -2.754 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.969 -5.846 0.051 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.502 1.635 4.251 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.879 2.960 4.730 1.00 0.00 C ATOM 1187 C LYS A 78 -8.663 3.877 4.807 1.00 0.00 C ATOM 1188 O LYS A 78 -7.585 3.461 5.231 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.542 2.858 6.106 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.050 2.688 6.043 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.763 4.030 6.048 1.00 0.00 C ATOM 1192 CE LYS A 78 -12.963 4.550 7.463 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.644 5.874 7.476 1.00 0.00 N ATOM 0 H LYS A 78 -8.927 1.099 4.902 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.589 3.386 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.112 2.014 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.309 3.755 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.318 2.136 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.386 2.093 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.185 4.753 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.730 3.931 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.553 3.833 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.996 4.634 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.762 6.194 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.069 6.565 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.577 5.789 7.025 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.843 5.128 4.394 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.761 6.104 4.418 1.00 0.00 C ATOM 1209 C VAL A 79 -8.004 7.168 5.483 1.00 0.00 C ATOM 1210 O VAL A 79 -8.696 8.156 5.240 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.594 6.792 3.050 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.440 7.782 3.087 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.385 5.756 1.956 1.00 0.00 C ATOM 0 H VAL A 79 -9.728 5.489 4.039 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.848 5.558 4.655 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.507 7.344 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.338 8.258 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.637 8.542 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.517 7.256 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.269 6.259 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.489 5.175 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.248 5.091 1.915 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.430 6.958 6.663 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.586 7.900 7.766 1.00 0.00 C ATOM 1225 C GLU A 80 -6.415 8.878 7.815 1.00 0.00 C ATOM 1226 O GLU A 80 -6.094 9.426 8.869 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.694 7.150 9.095 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.815 6.125 9.126 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.867 5.356 10.432 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.739 5.990 11.500 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.036 4.120 10.386 1.00 0.00 O ATOM 0 H GLU A 80 -6.853 6.145 6.880 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.503 8.465 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.748 6.648 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.850 7.871 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.768 6.630 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.685 5.424 8.301 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.781 9.092 6.666 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.653 10.002 6.599 1.00 0.00 C ATOM 1240 C GLY A 81 -3.623 9.575 5.573 1.00 0.00 C ATOM 1241 O GLY A 81 -3.237 8.407 5.519 1.00 0.00 O ATOM 0 H GLY A 81 -6.029 8.651 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.011 11.002 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.181 10.063 7.580 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.176 10.523 4.755 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.186 10.237 3.723 1.00 0.00 C ATOM 1247 C PHE A 82 -0.788 10.640 4.185 1.00 0.00 C ATOM 1248 O PHE A 82 -0.613 11.553 4.992 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.540 10.974 2.430 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.991 10.867 2.057 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.946 11.627 2.712 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.399 10.005 1.051 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.282 11.531 2.371 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.734 9.905 0.705 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.677 10.668 1.367 1.00 0.00 C ATOM 0 H PHE A 82 -3.484 11.495 4.787 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.192 9.163 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.277 12.026 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.934 10.576 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.643 12.302 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.666 9.405 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.016 12.130 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.039 9.231 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.721 10.590 1.100 1.00 0.00 H new ATOM 1265 N PRO A 83 0.231 9.942 3.662 1.00 0.00 N ATOM 1266 CA PRO A 83 0.033 8.852 2.702 1.00 0.00 C ATOM 1267 C PRO A 83 -0.608 7.625 3.341 1.00 0.00 C ATOM 1268 O PRO A 83 -0.821 7.583 4.554 1.00 0.00 O ATOM 1269 CB PRO A 83 1.455 8.530 2.234 1.00 0.00 C ATOM 1270 CG PRO A 83 2.331 8.968 3.356 1.00 0.00 C ATOM 1271 CD PRO A 83 1.654 10.162 3.969 1.00 0.00 C ATOM 0 HA PRO A 83 -0.642 9.137 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.574 7.466 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.698 9.059 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.454 8.171 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.327 9.226 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.830 10.216 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.018 11.095 3.539 1.00 0.00 H new ATOM 1279 N THR A 84 -0.914 6.627 2.519 1.00 0.00 N ATOM 1280 CA THR A 84 -1.531 5.399 3.004 1.00 0.00 C ATOM 1281 C THR A 84 -1.200 4.220 2.095 1.00 0.00 C ATOM 1282 O THR A 84 -1.748 4.096 0.999 1.00 0.00 O ATOM 1283 CB THR A 84 -3.062 5.541 3.103 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.402 6.841 3.598 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.646 4.475 4.018 1.00 0.00 C ATOM 0 H THR A 84 -0.745 6.645 1.513 1.00 0.00 H new ATOM 0 HA THR A 84 -1.125 5.213 3.998 1.00 0.00 H new ATOM 0 HB THR A 84 -3.483 5.411 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.819 7.066 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.728 4.595 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.410 3.487 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.219 4.578 5.016 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.301 3.358 2.557 1.00 0.00 N ATOM 1294 CA ILE A 85 0.102 2.188 1.786 1.00 0.00 C ATOM 1295 C ILE A 85 -0.646 0.942 2.246 1.00 0.00 C ATOM 1296 O ILE A 85 -0.903 0.764 3.437 1.00 0.00 O ATOM 1297 CB ILE A 85 1.617 1.935 1.897 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.398 3.116 1.318 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.992 0.644 1.184 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.804 3.236 1.863 1.00 0.00 C ATOM 0 H ILE A 85 0.162 3.447 3.461 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.148 2.395 0.745 1.00 0.00 H new ATOM 0 HB ILE A 85 1.877 1.834 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.445 3.014 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.856 4.038 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.066 0.479 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.458 -0.191 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.721 0.718 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.298 4.095 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.765 3.370 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.363 2.330 1.630 1.00 0.00 H new ATOM 1312 N TYR A 86 -0.992 0.082 1.295 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.712 -1.149 1.603 1.00 0.00 C ATOM 1314 C TYR A 86 -1.192 -2.309 0.760 1.00 0.00 C ATOM 1315 O TYR A 86 -0.878 -2.144 -0.419 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.211 -0.961 1.363 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.947 -0.386 2.552 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.260 -1.178 3.649 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.331 0.949 2.577 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.933 -0.658 4.738 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.003 1.479 3.661 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.302 0.671 4.739 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.972 1.195 5.821 1.00 0.00 O ATOM 0 H TYR A 86 -0.786 0.214 0.305 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.546 -1.384 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.353 -0.303 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.652 -1.923 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.972 -2.219 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.100 1.583 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.169 -1.288 5.583 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.293 2.519 3.665 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.508 1.963 5.533 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.103 -3.485 1.373 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.621 -4.674 0.681 1.00 0.00 C ATOM 1335 C PHE A 87 -1.752 -5.677 0.470 1.00 0.00 C ATOM 1336 O PHE A 87 -2.299 -6.222 1.429 1.00 0.00 O ATOM 1337 CB PHE A 87 0.513 -5.327 1.474 1.00 0.00 C ATOM 1338 CG PHE A 87 1.245 -6.392 0.708 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.731 -7.676 0.618 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.446 -6.109 0.078 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.402 -8.658 -0.086 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.120 -7.087 -0.628 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.598 -8.363 -0.710 1.00 0.00 C ATOM 0 H PHE A 87 -1.359 -3.640 2.348 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.244 -4.368 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.222 -4.558 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.104 -5.763 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.204 -7.912 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.860 -5.113 0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.991 -9.655 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.055 -6.854 -1.116 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.124 -9.129 -1.261 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.097 -5.913 -0.791 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.161 -6.851 -1.128 1.00 0.00 C ATOM 1355 C ALA A 88 -2.590 -8.173 -1.630 1.00 0.00 C ATOM 1356 O ALA A 88 -2.264 -8.330 -2.807 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.087 -6.244 -2.172 1.00 0.00 C ATOM 0 H ALA A 88 -1.656 -5.468 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.733 -7.054 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.877 -6.955 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.530 -5.330 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.518 -6.012 -3.072 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.463 -9.147 -0.717 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.930 -10.473 -1.044 1.00 0.00 C ATOM 1365 C PRO A 89 -2.883 -11.282 -1.918 1.00 0.00 C ATOM 1366 O PRO A 89 -4.034 -11.512 -1.550 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.768 -11.138 0.326 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.756 -10.448 1.201 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.831 -9.030 0.704 1.00 0.00 C ATOM 0 HA PRO A 89 -1.004 -10.410 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.966 -12.208 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.753 -11.020 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.731 -10.933 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.442 -10.480 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.831 -8.613 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.145 -8.378 1.244 1.00 0.00 H new ATOM 1377 N SER A 90 -2.395 -11.710 -3.078 1.00 0.00 N ATOM 1378 CA SER A 90 -3.204 -12.490 -4.007 1.00 0.00 C ATOM 1379 C SER A 90 -3.850 -13.677 -3.299 1.00 0.00 C ATOM 1380 O SER A 90 -3.193 -14.678 -3.017 1.00 0.00 O ATOM 1381 CB SER A 90 -2.347 -12.982 -5.175 1.00 0.00 C ATOM 1382 OG SER A 90 -1.533 -14.074 -4.785 1.00 0.00 O ATOM 0 H SER A 90 -1.443 -11.530 -3.397 1.00 0.00 H new ATOM 0 HA SER A 90 -3.994 -11.845 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.991 -13.281 -6.002 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.720 -12.168 -5.538 1.00 0.00 H new ATOM 0 HG SER A 90 -1.758 -14.339 -3.869 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.143 -13.558 -3.016 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.858 -14.627 -2.344 1.00 0.00 C ATOM 1390 C GLY A 91 -6.511 -14.168 -1.055 1.00 0.00 C ATOM 1391 O GLY A 91 -7.670 -14.487 -0.791 1.00 0.00 O ATOM 0 H GLY A 91 -5.709 -12.740 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.621 -15.025 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.167 -15.442 -2.127 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.766 -13.419 -0.250 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.279 -12.916 1.018 1.00 0.00 C ATOM 1397 C ASP A 92 -6.398 -11.395 0.991 1.00 0.00 C ATOM 1398 O ASP A 92 -6.165 -10.725 1.998 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.369 -13.348 2.169 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.365 -14.851 2.370 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.382 -15.386 2.858 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -4.344 -15.491 2.041 1.00 0.00 O ATOM 0 H ASP A 92 -4.804 -13.147 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.272 -13.338 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.352 -13.008 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.695 -12.862 3.089 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.761 -10.855 -0.167 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.911 -9.414 -0.327 1.00 0.00 C ATOM 1409 C LYS A 93 -7.986 -8.872 0.610 1.00 0.00 C ATOM 1410 O LYS A 93 -8.011 -7.680 0.919 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.265 -9.075 -1.777 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.380 -9.769 -2.797 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.242 -8.945 -4.067 1.00 0.00 C ATOM 1414 CE LYS A 93 -4.943 -9.257 -4.794 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.497 -8.119 -5.646 1.00 0.00 N ATOM 0 H LYS A 93 -6.957 -11.395 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.961 -8.944 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.303 -9.350 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.191 -7.997 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.394 -9.943 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.799 -10.746 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.087 -9.146 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.276 -7.884 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.167 -9.492 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.077 -10.144 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.312 -8.460 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.241 -7.393 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.627 -7.709 -5.250 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.871 -9.754 1.061 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.947 -9.366 1.965 1.00 0.00 C ATOM 1431 C LYS A 94 -9.387 -8.751 3.244 1.00 0.00 C ATOM 1432 O LYS A 94 -10.120 -8.149 4.027 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.815 -10.578 2.308 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.923 -10.836 1.301 1.00 0.00 C ATOM 1435 CD LYS A 94 -11.390 -11.502 0.044 1.00 0.00 C ATOM 1436 CE LYS A 94 -12.497 -11.740 -0.972 1.00 0.00 C ATOM 1437 NZ LYS A 94 -12.691 -10.565 -1.867 1.00 0.00 N ATOM 0 H LYS A 94 -8.864 -10.744 0.815 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.560 -8.619 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.181 -11.462 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.258 -10.431 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.687 -11.469 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.404 -9.894 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.615 -10.877 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.923 -12.452 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.257 -12.618 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.429 -11.956 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.454 -10.767 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.945 -9.733 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.810 -10.374 -2.385 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.082 -8.906 3.448 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.424 -8.364 4.632 1.00 0.00 C ATOM 1453 C ASN A 95 -6.292 -7.420 4.241 1.00 0.00 C ATOM 1454 O ASN A 95 -5.147 -7.831 4.048 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.880 -9.499 5.502 1.00 0.00 C ATOM 1456 CG ASN A 95 -7.958 -10.142 6.354 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.204 -9.723 7.484 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.606 -11.168 5.813 1.00 0.00 N ATOM 0 H ASN A 95 -7.460 -9.402 2.809 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.162 -7.800 5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.425 -10.256 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.092 -9.112 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.341 -11.642 6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.369 -11.482 4.872 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.616 -6.125 4.121 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.640 -5.095 3.753 1.00 0.00 C ATOM 1467 C PRO A 96 -4.623 -4.839 4.859 1.00 0.00 C ATOM 1468 O PRO A 96 -4.987 -4.477 5.979 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.504 -3.853 3.523 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.722 -4.080 4.350 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.961 -5.565 4.335 1.00 0.00 C ATOM 0 HA PRO A 96 -5.048 -5.386 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.982 -2.946 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.757 -3.736 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.576 -3.718 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.578 -3.543 3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.396 -5.911 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.648 -5.853 3.539 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.347 -5.027 4.539 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.278 -4.815 5.507 1.00 0.00 C ATOM 1481 C ILE A 97 -1.693 -3.412 5.380 1.00 0.00 C ATOM 1482 O ILE A 97 -0.962 -3.115 4.435 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.148 -5.847 5.334 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.705 -7.268 5.446 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.057 -5.617 6.368 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.923 -8.288 4.648 1.00 0.00 C ATOM 0 H ILE A 97 -3.028 -5.326 3.617 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.720 -4.935 6.496 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.712 -5.724 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.711 -7.566 6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.741 -7.271 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.734 -6.354 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.355 -4.616 6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.477 -5.716 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.374 -9.272 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.939 -8.014 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.108 -8.313 5.001 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.017 -2.553 6.340 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.523 -1.181 6.340 1.00 0.00 C ATOM 1500 C LYS A 98 -0.137 -1.102 6.974 1.00 0.00 C ATOM 1501 O LYS A 98 0.116 -1.710 8.014 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.492 -0.267 7.092 1.00 0.00 C ATOM 1503 CG LYS A 98 -1.966 1.144 7.293 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.099 2.143 7.455 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.667 3.347 8.279 1.00 0.00 C ATOM 1506 NZ LYS A 98 -2.802 3.095 9.740 1.00 0.00 N ATOM 0 H LYS A 98 -2.621 -2.783 7.129 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.450 -0.848 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.433 -0.220 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.711 -0.706 8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.326 1.173 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.348 1.428 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.436 2.475 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.948 1.657 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.631 3.593 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.270 4.212 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.963 3.460 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.651 3.576 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.886 2.072 9.910 1.00 0.00 H new ATOM 1520 N PHE A 99 0.756 -0.349 6.341 1.00 0.00 N ATOM 1521 CA PHE A 99 2.115 -0.190 6.844 1.00 0.00 C ATOM 1522 C PHE A 99 2.152 0.790 8.013 1.00 0.00 C ATOM 1523 O PHE A 99 2.051 2.001 7.824 1.00 0.00 O ATOM 1524 CB PHE A 99 3.041 0.296 5.727 1.00 0.00 C ATOM 1525 CG PHE A 99 4.373 0.784 6.222 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.316 -0.108 6.707 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.682 2.134 6.203 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.542 0.337 7.163 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.906 2.586 6.658 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.837 1.686 7.139 1.00 0.00 C ATOM 0 H PHE A 99 0.563 0.161 5.479 1.00 0.00 H new ATOM 0 HA PHE A 99 2.461 -1.162 7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.201 -0.517 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.548 1.101 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.090 -1.164 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.958 2.842 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.268 -0.369 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.134 3.641 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.794 2.037 7.496 1.00 0.00 H new ATOM 1540 N GLU A 100 2.297 0.255 9.221 1.00 0.00 N ATOM 1541 CA GLU A 100 2.346 1.082 10.421 1.00 0.00 C ATOM 1542 C GLU A 100 3.636 0.839 11.198 1.00 0.00 C ATOM 1543 O GLU A 100 3.616 0.644 12.413 1.00 0.00 O ATOM 1544 CB GLU A 100 1.138 0.794 11.315 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.133 1.497 10.867 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.160 1.610 11.976 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.619 0.558 12.468 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.504 2.749 12.353 1.00 0.00 O ATOM 0 H GLU A 100 2.383 -0.746 9.395 1.00 0.00 H new ATOM 0 HA GLU A 100 2.320 2.127 10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.960 -0.281 11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.371 1.098 12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.116 2.494 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.568 0.953 10.028 1.00 0.00 H new ATOM 1583 N ARG A 104 8.129 5.963 7.066 1.00 0.00 N ATOM 1584 CA ARG A 104 7.742 5.651 5.696 1.00 0.00 C ATOM 1585 C ARG A 104 8.842 6.049 4.716 1.00 0.00 C ATOM 1586 O ARG A 104 8.841 7.159 4.183 1.00 0.00 O ATOM 1587 CB ARG A 104 6.440 6.367 5.335 1.00 0.00 C ATOM 1588 CG ARG A 104 5.703 5.739 4.163 1.00 0.00 C ATOM 1589 CD ARG A 104 4.381 6.440 3.896 1.00 0.00 C ATOM 1590 NE ARG A 104 3.350 6.049 4.853 1.00 0.00 N ATOM 1591 CZ ARG A 104 3.161 6.657 6.019 1.00 0.00 C ATOM 1592 NH1 ARG A 104 3.929 7.679 6.370 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.202 6.242 6.837 1.00 0.00 N ATOM 0 HA ARG A 104 7.588 4.574 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.784 6.371 6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.661 7.408 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.328 5.787 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.522 4.684 4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.527 7.519 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.045 6.207 2.886 1.00 0.00 H new ATOM 0 HE ARG A 104 2.742 5.266 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.667 8.001 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.781 8.144 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.609 5.456 6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.058 6.709 7.732 1.00 0.00 H new ATOM 1607 N ASP A 105 9.780 5.137 4.485 1.00 0.00 N ATOM 1608 CA ASP A 105 10.886 5.392 3.569 1.00 0.00 C ATOM 1609 C ASP A 105 11.229 4.140 2.768 1.00 0.00 C ATOM 1610 O ASP A 105 10.591 3.098 2.922 1.00 0.00 O ATOM 1611 CB ASP A 105 12.116 5.871 4.342 1.00 0.00 C ATOM 1612 CG ASP A 105 12.290 5.144 5.661 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.295 5.020 6.406 1.00 0.00 O ATOM 1614 OD2 ASP A 105 13.420 4.699 5.948 1.00 0.00 O ATOM 0 H ASP A 105 9.797 4.214 4.919 1.00 0.00 H new ATOM 0 HA ASP A 105 10.577 6.172 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.006 5.725 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.030 6.941 4.529 1.00 0.00 H new ATOM 1619 N LEU A 106 12.239 4.250 1.912 1.00 0.00 N ATOM 1620 CA LEU A 106 12.666 3.126 1.086 1.00 0.00 C ATOM 1621 C LEU A 106 13.382 2.073 1.926 1.00 0.00 C ATOM 1622 O LEU A 106 13.511 0.921 1.514 1.00 0.00 O ATOM 1623 CB LEU A 106 13.587 3.614 -0.035 1.00 0.00 C ATOM 1624 CG LEU A 106 13.996 2.566 -1.070 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.865 2.319 -2.056 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.257 3.003 -1.802 1.00 0.00 C ATOM 0 H LEU A 106 12.777 5.105 1.772 1.00 0.00 H new ATOM 0 HA LEU A 106 11.778 2.671 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.091 4.434 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.491 4.022 0.416 1.00 0.00 H new ATOM 0 HG LEU A 106 14.207 1.632 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.175 1.570 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.986 1.961 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.622 3.248 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.533 2.245 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.073 3.949 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.069 3.128 -1.085 1.00 0.00 H new ATOM 1638 N GLU A 107 13.843 2.478 3.105 1.00 0.00 N ATOM 1639 CA GLU A 107 14.544 1.568 4.003 1.00 0.00 C ATOM 1640 C GLU A 107 13.556 0.727 4.807 1.00 0.00 C ATOM 1641 O GLU A 107 13.785 -0.458 5.049 1.00 0.00 O ATOM 1642 CB GLU A 107 15.453 2.352 4.952 1.00 0.00 C ATOM 1643 CG GLU A 107 16.849 2.588 4.402 1.00 0.00 C ATOM 1644 CD GLU A 107 17.644 1.305 4.257 1.00 0.00 C ATOM 1645 OE1 GLU A 107 18.023 0.721 5.293 1.00 0.00 O ATOM 1646 OE2 GLU A 107 17.885 0.884 3.106 1.00 0.00 O ATOM 0 H GLU A 107 13.744 3.429 3.460 1.00 0.00 H new ATOM 0 HA GLU A 107 15.154 0.899 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.991 3.314 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.530 1.813 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.775 3.077 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.385 3.270 5.062 1.00 0.00 H new ATOM 1653 N HIS A 108 12.456 1.350 5.218 1.00 0.00 N ATOM 1654 CA HIS A 108 11.431 0.660 5.994 1.00 0.00 C ATOM 1655 C HIS A 108 10.401 0.009 5.076 1.00 0.00 C ATOM 1656 O HIS A 108 10.031 -1.151 5.264 1.00 0.00 O ATOM 1657 CB HIS A 108 10.740 1.636 6.947 1.00 0.00 C ATOM 1658 CG HIS A 108 11.411 1.748 8.280 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.738 2.082 9.436 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.704 1.567 8.639 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.588 2.103 10.448 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.787 1.793 9.991 1.00 0.00 N ATOM 0 H HIS A 108 12.251 2.331 5.027 1.00 0.00 H new ATOM 0 HA HIS A 108 11.916 -0.122 6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.706 2.622 6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.708 1.318 7.095 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.519 1.295 7.984 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.343 2.334 11.474 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.637 1.731 10.551 1.00 0.00 H new ATOM 1671 N LEU A 109 9.939 0.763 4.085 1.00 0.00 N ATOM 1672 CA LEU A 109 8.950 0.261 3.138 1.00 0.00 C ATOM 1673 C LEU A 109 9.369 -1.097 2.582 1.00 0.00 C ATOM 1674 O LEU A 109 8.561 -2.022 2.503 1.00 0.00 O ATOM 1675 CB LEU A 109 8.759 1.257 1.993 1.00 0.00 C ATOM 1676 CG LEU A 109 8.007 2.542 2.340 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.196 3.583 1.247 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.528 2.254 2.553 1.00 0.00 C ATOM 0 H LEU A 109 10.234 1.725 3.916 1.00 0.00 H new ATOM 0 HA LEU A 109 8.005 0.141 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.741 1.528 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.226 0.754 1.186 1.00 0.00 H new ATOM 0 HG LEU A 109 8.417 2.940 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.654 4.491 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.257 3.812 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.813 3.194 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.009 3.180 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.105 1.832 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.410 1.543 3.371 1.00 0.00 H new ATOM 1690 N SER A 110 10.637 -1.208 2.200 1.00 0.00 N ATOM 1691 CA SER A 110 11.163 -2.452 1.650 1.00 0.00 C ATOM 1692 C SER A 110 11.156 -3.557 2.702 1.00 0.00 C ATOM 1693 O SER A 110 11.070 -4.741 2.375 1.00 0.00 O ATOM 1694 CB SER A 110 12.585 -2.241 1.125 1.00 0.00 C ATOM 1695 OG SER A 110 13.359 -1.485 2.040 1.00 0.00 O ATOM 0 H SER A 110 11.319 -0.452 2.261 1.00 0.00 H new ATOM 0 HA SER A 110 10.520 -2.756 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.060 -3.207 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.549 -1.728 0.164 1.00 0.00 H new ATOM 0 HG SER A 110 13.705 -0.685 1.593 1.00 0.00 H new ATOM 1701 N LYS A 111 11.247 -3.161 3.967 1.00 0.00 N ATOM 1702 CA LYS A 111 11.250 -4.116 5.069 1.00 0.00 C ATOM 1703 C LYS A 111 9.830 -4.553 5.414 1.00 0.00 C ATOM 1704 O LYS A 111 9.629 -5.502 6.173 1.00 0.00 O ATOM 1705 CB LYS A 111 11.920 -3.502 6.301 1.00 0.00 C ATOM 1706 CG LYS A 111 13.425 -3.352 6.164 1.00 0.00 C ATOM 1707 CD LYS A 111 14.021 -2.606 7.346 1.00 0.00 C ATOM 1708 CE LYS A 111 15.538 -2.711 7.364 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.996 -4.074 7.752 1.00 0.00 N ATOM 0 H LYS A 111 11.320 -2.185 4.255 1.00 0.00 H new ATOM 0 HA LYS A 111 11.815 -4.994 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.482 -2.522 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.703 -4.123 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.884 -4.337 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.656 -2.819 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.728 -1.557 7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.616 -3.010 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.931 -2.463 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.944 -1.979 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.013 -4.050 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.472 -4.390 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.823 -4.735 6.968 1.00 0.00 H new ATOM 1723 N PHE A 112 8.848 -3.856 4.851 1.00 0.00 N ATOM 1724 CA PHE A 112 7.447 -4.173 5.099 1.00 0.00 C ATOM 1725 C PHE A 112 6.891 -5.076 4.002 1.00 0.00 C ATOM 1726 O PHE A 112 5.903 -5.783 4.206 1.00 0.00 O ATOM 1727 CB PHE A 112 6.619 -2.889 5.186 1.00 0.00 C ATOM 1728 CG PHE A 112 5.149 -3.108 4.971 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.616 -3.112 3.692 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.300 -3.309 6.047 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.263 -3.312 3.491 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.946 -3.510 5.852 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.428 -3.513 4.572 1.00 0.00 C ATOM 0 H PHE A 112 8.997 -3.068 4.220 1.00 0.00 H new ATOM 0 HA PHE A 112 7.383 -4.703 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.771 -2.434 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.985 -2.179 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.265 -2.957 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.700 -3.309 7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.859 -3.311 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.295 -3.664 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.371 -3.672 4.417 1.00 0.00 H new ATOM 1743 N ILE A 113 7.532 -5.047 2.839 1.00 0.00 N ATOM 1744 CA ILE A 113 7.103 -5.863 1.710 1.00 0.00 C ATOM 1745 C ILE A 113 7.658 -7.279 1.813 1.00 0.00 C ATOM 1746 O ILE A 113 6.910 -8.256 1.751 1.00 0.00 O ATOM 1747 CB ILE A 113 7.546 -5.246 0.369 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.866 -3.892 0.157 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.226 -6.191 -0.779 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.517 -3.051 -0.919 1.00 0.00 C ATOM 0 H ILE A 113 8.350 -4.467 2.654 1.00 0.00 H new ATOM 0 HA ILE A 113 6.014 -5.899 1.742 1.00 0.00 H new ATOM 0 HB ILE A 113 8.624 -5.090 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.821 -4.056 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.877 -3.338 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.545 -5.742 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.752 -7.134 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.152 -6.375 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.983 -2.106 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.555 -2.856 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.483 -3.585 -1.869 1.00 0.00 H new ATOM 1762 N ASP A 114 8.973 -7.384 1.971 1.00 0.00 N ATOM 1763 CA ASP A 114 9.628 -8.681 2.086 1.00 0.00 C ATOM 1764 C ASP A 114 8.873 -9.588 3.052 1.00 0.00 C ATOM 1765 O ASP A 114 8.835 -10.805 2.874 1.00 0.00 O ATOM 1766 CB ASP A 114 11.074 -8.507 2.555 1.00 0.00 C ATOM 1767 CG ASP A 114 11.196 -8.514 4.066 1.00 0.00 C ATOM 1768 OD1 ASP A 114 10.709 -7.559 4.706 1.00 0.00 O ATOM 1769 OD2 ASP A 114 11.780 -9.475 4.609 1.00 0.00 O ATOM 0 H ASP A 114 9.606 -6.586 2.022 1.00 0.00 H new ATOM 0 HA ASP A 114 9.627 -9.149 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.687 -9.307 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.469 -7.569 2.166 1.00 0.00 H new ATOM 1774 N GLU A 115 8.274 -8.987 4.075 1.00 0.00 N ATOM 1775 CA GLU A 115 7.522 -9.741 5.070 1.00 0.00 C ATOM 1776 C GLU A 115 6.244 -10.316 4.465 1.00 0.00 C ATOM 1777 O GLU A 115 6.038 -11.530 4.460 1.00 0.00 O ATOM 1778 CB GLU A 115 7.177 -8.850 6.265 1.00 0.00 C ATOM 1779 CG GLU A 115 8.230 -8.866 7.360 1.00 0.00 C ATOM 1780 CD GLU A 115 8.411 -10.241 7.975 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.568 -10.632 8.810 1.00 0.00 O ATOM 1782 OE2 GLU A 115 9.394 -10.924 7.623 1.00 0.00 O ATOM 0 H GLU A 115 8.295 -7.980 4.236 1.00 0.00 H new ATOM 0 HA GLU A 115 8.147 -10.567 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.042 -7.826 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.224 -9.172 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.181 -8.528 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.949 -8.158 8.139 1.00 0.00 H new ATOM 1789 N HIS A 116 5.388 -9.435 3.957 1.00 0.00 N ATOM 1790 CA HIS A 116 4.130 -9.854 3.349 1.00 0.00 C ATOM 1791 C HIS A 116 4.355 -10.357 1.926 1.00 0.00 C ATOM 1792 O HIS A 116 3.404 -10.660 1.207 1.00 0.00 O ATOM 1793 CB HIS A 116 3.132 -8.696 3.341 1.00 0.00 C ATOM 1794 CG HIS A 116 2.845 -8.144 4.704 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.250 -8.710 5.780 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.177 -6.861 5.082 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.235 -7.768 6.779 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 2.801 -6.661 6.333 1.00 0.00 N flip ATOM 0 H HIS A 116 5.542 -8.427 3.954 1.00 0.00 H new ATOM 0 HA HIS A 116 3.722 -10.671 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.520 -7.897 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.199 -9.034 2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.668 -6.133 4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.827 -7.909 7.769 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.926 -5.799 6.864 1.00 0.00 H new