USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 92 CYS SG : rot -33:sc= -2.54 USER MOD Set 1.2: A 93 GLN : amide:sc= -2.3 X(o=-4.8,f=-4.9!) USER MOD Set 2.1: A 46 CYS SG : rot -71:sc= 1.33 USER MOD Set 2.2: A 49 THR OG1 : rot -94:sc= 0.885 USER MOD Set 2.3: A 52 CYS SG : rot -170:sc= 0.59! USER MOD Set 2.4: A 54 THR OG1 : rot 50:sc= 0.465 USER MOD Set 3.1: A 21 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 36 ASN : amide:sc= -1 X(o=-1,f=-1.4) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 28 SER OG : rot -19:sc= 0.669 USER MOD Single : A 35 GLN : amide:sc= -0.0846 K(o=-0.085,f=-0.6) USER MOD Single : A 37 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.6!) USER MOD Single : A 53 SER OG : rot 76:sc= -0.183 USER MOD Single : A 55 CYS SG : rot 59:sc= -3.09 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.097 USER MOD Single : A 75 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.8!) USER MOD Single : A 77 MET CE :methyl -100:sc= -0.0651 (180deg=-0.838) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 83:sc= -6.27! USER MOD Single : A 88 SER OG : rot 120:sc= -2.72! USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 100 MET CE :methyl -113:sc= -5.08! (180deg=-9.44!) USER MOD Single : A 102 ASN : amide:sc= -7.74! C(o=-7.7!,f=-12!) USER MOD Single : A 103 MET CE :methyl 159:sc= -5.89 (180deg=-6.44!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 9.982 14.932 -4.820 1.00 0.00 N ATOM 51 CA ASP A 5 8.599 14.493 -4.903 1.00 0.00 C ATOM 52 C ASP A 5 8.130 14.039 -3.520 1.00 0.00 C ATOM 53 O ASP A 5 8.939 13.627 -2.689 1.00 0.00 O ATOM 54 CB ASP A 5 8.453 13.312 -5.863 1.00 0.00 C ATOM 55 CG ASP A 5 9.736 12.514 -6.108 1.00 0.00 C ATOM 56 OD1 ASP A 5 10.701 12.603 -5.334 1.00 0.00 O ATOM 57 OD2 ASP A 5 9.721 11.767 -7.159 1.00 0.00 O ATOM 0 HA ASP A 5 8.001 15.329 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.692 12.637 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.086 13.684 -6.820 1.00 0.00 H new ATOM 63 N LYS A 6 6.824 14.129 -3.314 1.00 0.00 N ATOM 64 CA LYS A 6 6.237 13.732 -2.045 1.00 0.00 C ATOM 65 C LYS A 6 4.714 13.848 -2.134 1.00 0.00 C ATOM 66 O LYS A 6 4.187 14.906 -2.476 1.00 0.00 O ATOM 67 CB LYS A 6 6.849 14.537 -0.897 1.00 0.00 C ATOM 68 CG LYS A 6 6.185 15.911 -0.777 1.00 0.00 C ATOM 69 CD LYS A 6 6.848 16.746 0.321 1.00 0.00 C ATOM 70 CE LYS A 6 6.533 18.232 0.145 1.00 0.00 C ATOM 0 H LYS A 6 6.156 14.471 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 6 6.465 12.688 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.733 13.990 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.919 14.659 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.253 16.436 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.125 15.789 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.501 16.410 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.927 16.594 0.297 1.00 0.00 H new ATOM 84 N ILE A 7 4.049 12.745 -1.822 1.00 0.00 N ATOM 85 CA ILE A 7 2.597 12.710 -1.863 1.00 0.00 C ATOM 86 C ILE A 7 2.064 12.276 -0.496 1.00 0.00 C ATOM 87 O ILE A 7 2.835 11.896 0.383 1.00 0.00 O ATOM 88 CB ILE A 7 2.115 11.831 -3.020 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.126 10.353 -2.625 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.934 12.092 -4.285 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.801 9.462 -3.827 1.00 0.00 C ATOM 0 H ILE A 7 4.489 11.869 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 7 2.196 13.704 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 7 1.082 12.097 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.104 10.087 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.399 10.179 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.571 11.455 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.832 13.138 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.983 11.870 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.815 8.416 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.812 9.714 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.544 9.620 -4.609 1.00 0.00 H new ATOM 103 N THR A 8 0.748 12.347 -0.361 1.00 0.00 N ATOM 104 CA THR A 8 0.102 11.967 0.883 1.00 0.00 C ATOM 105 C THR A 8 -0.541 10.585 0.750 1.00 0.00 C ATOM 106 O THR A 8 -1.315 10.343 -0.175 1.00 0.00 O ATOM 107 CB THR A 8 -0.894 13.067 1.255 1.00 0.00 C ATOM 108 OG1 THR A 8 -0.151 14.274 1.105 1.00 0.00 O ATOM 109 CG2 THR A 8 -1.268 13.043 2.739 1.00 0.00 C ATOM 0 H THR A 8 0.112 12.662 -1.093 1.00 0.00 H new ATOM 0 HA THR A 8 0.826 11.877 1.693 1.00 0.00 H new ATOM 0 HB THR A 8 -1.795 12.958 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.722 15.039 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.977 13.844 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.722 12.083 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.371 13.185 3.343 1.00 0.00 H new ATOM 117 N VAL A 9 -0.197 9.714 1.688 1.00 0.00 N ATOM 118 CA VAL A 9 -0.731 8.363 1.686 1.00 0.00 C ATOM 119 C VAL A 9 -1.281 8.035 3.076 1.00 0.00 C ATOM 120 O VAL A 9 -0.562 8.125 4.069 1.00 0.00 O ATOM 121 CB VAL A 9 0.342 7.377 1.220 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.206 5.949 1.182 1.00 0.00 C ATOM 123 CG2 VAL A 9 0.906 7.785 -0.143 1.00 0.00 C ATOM 0 H VAL A 9 0.445 9.918 2.454 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.558 8.280 0.981 1.00 0.00 H new ATOM 0 HB VAL A 9 1.158 7.403 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.576 5.268 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.537 5.660 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.048 5.901 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.667 7.068 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.102 7.801 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.351 8.777 -0.070 1.00 0.00 H new ATOM 133 N HIS A 10 -2.552 7.663 3.101 1.00 0.00 N ATOM 134 CA HIS A 10 -3.207 7.320 4.352 1.00 0.00 C ATOM 135 C HIS A 10 -3.250 5.799 4.510 1.00 0.00 C ATOM 136 O HIS A 10 -3.412 5.074 3.530 1.00 0.00 O ATOM 137 CB HIS A 10 -4.593 7.964 4.434 1.00 0.00 C ATOM 138 CG HIS A 10 -4.567 9.474 4.456 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.215 10.201 5.580 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.854 10.384 3.483 1.00 0.00 C ATOM 141 CE1 HIS A 10 -4.290 11.491 5.284 1.00 0.00 C ATOM 0 H HIS A 10 -3.146 7.592 2.275 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.634 7.721 5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.187 7.633 3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.096 7.606 5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.944 9.811 6.483 1.00 0.00 H new ATOM 150 N PHE A 11 -3.102 5.360 5.752 1.00 0.00 N ATOM 151 CA PHE A 11 -3.122 3.939 6.051 1.00 0.00 C ATOM 152 C PHE A 11 -4.008 3.647 7.263 1.00 0.00 C ATOM 153 O PHE A 11 -3.744 4.130 8.362 1.00 0.00 O ATOM 154 CB PHE A 11 -1.684 3.530 6.375 1.00 0.00 C ATOM 155 CG PHE A 11 -0.728 3.618 5.183 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.298 4.832 4.744 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.309 2.483 4.563 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.588 4.914 3.639 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.578 2.565 3.457 1.00 0.00 C ATOM 160 CZ PHE A 11 1.008 3.779 3.018 1.00 0.00 C ATOM 0 H PHE A 11 -2.968 5.964 6.563 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.521 3.385 5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.308 4.166 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.684 2.508 6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.631 5.733 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.651 1.519 4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.929 5.878 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.911 1.664 2.964 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.682 3.841 2.177 1.00 0.00 H new ATOM 170 N ILE A 12 -5.044 2.855 7.022 1.00 0.00 N ATOM 171 CA ILE A 12 -5.971 2.492 8.080 1.00 0.00 C ATOM 172 C ILE A 12 -5.447 1.253 8.809 1.00 0.00 C ATOM 173 O ILE A 12 -5.531 0.141 8.290 1.00 0.00 O ATOM 174 CB ILE A 12 -7.385 2.323 7.519 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.722 3.446 6.537 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.413 2.219 8.647 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.880 3.044 5.621 1.00 0.00 C ATOM 0 H ILE A 12 -5.261 2.455 6.109 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.039 3.292 8.818 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.423 1.387 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.986 4.349 7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.844 3.684 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.409 2.100 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.180 1.358 9.273 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.383 3.126 9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.100 3.860 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.604 2.155 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.763 2.830 6.223 1.00 0.00 H new ATOM 189 N ASN A 13 -4.915 1.487 9.999 1.00 0.00 N ATOM 190 CA ASN A 13 -4.377 0.404 10.805 1.00 0.00 C ATOM 191 C ASN A 13 -5.463 -0.652 11.023 1.00 0.00 C ATOM 192 O ASN A 13 -6.638 -0.402 10.759 1.00 0.00 O ATOM 193 CB ASN A 13 -3.926 0.909 12.176 1.00 0.00 C ATOM 194 CG ASN A 13 -2.597 0.270 12.586 1.00 0.00 C ATOM 195 OD1 ASN A 13 -1.523 0.755 12.271 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.730 -0.842 13.305 1.00 0.00 N ATOM 0 H ASN A 13 -4.845 2.411 10.425 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.521 -0.016 10.277 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.820 1.994 12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.689 0.680 12.921 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.902 -1.343 13.628 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.660 -1.193 13.533 1.00 0.00 H new ATOM 203 N ARG A 14 -5.031 -1.809 11.505 1.00 0.00 N ATOM 204 CA ARG A 14 -5.952 -2.903 11.761 1.00 0.00 C ATOM 205 C ARG A 14 -6.852 -2.570 12.953 1.00 0.00 C ATOM 206 O ARG A 14 -7.909 -3.175 13.125 1.00 0.00 O ATOM 207 CB ARG A 14 -5.197 -4.202 12.048 1.00 0.00 C ATOM 208 CG ARG A 14 -4.148 -4.476 10.968 1.00 0.00 C ATOM 209 CD ARG A 14 -3.381 -5.767 11.264 1.00 0.00 C ATOM 210 NE ARG A 14 -4.295 -6.928 11.183 1.00 0.00 N ATOM 211 CZ ARG A 14 -3.888 -8.199 10.983 1.00 0.00 C ATOM 212 NH1 ARG A 14 -2.576 -8.484 10.838 1.00 0.00 N ATOM 213 NH2 ARG A 14 -4.791 -9.160 10.927 1.00 0.00 N ATOM 0 H ARG A 14 -4.056 -2.012 11.725 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.562 -3.040 10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.713 -4.138 13.022 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.901 -5.033 12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.634 -4.552 9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.451 -3.640 10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.564 -5.886 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.933 -5.715 12.256 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.295 -6.757 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.884 -7.736 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.277 -9.447 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.781 -8.937 11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.499 -10.126 10.776 1.00 0.00 H new ATOM 226 N ASP A 15 -6.398 -1.610 13.745 1.00 0.00 N ATOM 227 CA ASP A 15 -7.150 -1.190 14.917 1.00 0.00 C ATOM 228 C ASP A 15 -8.343 -0.342 14.475 1.00 0.00 C ATOM 229 O ASP A 15 -9.355 -0.278 15.171 1.00 0.00 O ATOM 230 CB ASP A 15 -6.285 -0.340 15.849 1.00 0.00 C ATOM 231 CG ASP A 15 -5.657 -1.098 17.019 1.00 0.00 C ATOM 232 OD1 ASP A 15 -6.235 -1.180 18.113 1.00 0.00 O ATOM 233 OD2 ASP A 15 -4.506 -1.627 16.772 1.00 0.00 O ATOM 0 H ASP A 15 -5.520 -1.111 13.599 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.479 -2.085 15.446 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.488 0.118 15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.895 0.471 16.247 1.00 0.00 H new ATOM 239 N GLY A 16 -8.187 0.286 13.320 1.00 0.00 N ATOM 240 CA GLY A 16 -9.239 1.128 12.775 1.00 0.00 C ATOM 241 C GLY A 16 -8.763 2.575 12.627 1.00 0.00 C ATOM 242 O GLY A 16 -9.445 3.396 12.016 1.00 0.00 O ATOM 0 H GLY A 16 -7.347 0.229 12.745 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.551 0.743 11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.112 1.094 13.427 1.00 0.00 H new ATOM 246 N GLU A 17 -7.597 2.841 13.196 1.00 0.00 N ATOM 247 CA GLU A 17 -7.022 4.174 13.133 1.00 0.00 C ATOM 248 C GLU A 17 -6.407 4.424 11.754 1.00 0.00 C ATOM 249 O GLU A 17 -5.928 3.495 11.107 1.00 0.00 O ATOM 250 CB GLU A 17 -5.985 4.376 14.240 1.00 0.00 C ATOM 251 CG GLU A 17 -4.799 3.427 14.059 1.00 0.00 C ATOM 252 CD GLU A 17 -4.131 3.122 15.401 1.00 0.00 C ATOM 253 OE1 GLU A 17 -4.821 2.788 16.375 1.00 0.00 O ATOM 254 OE2 GLU A 17 -2.846 3.242 15.411 1.00 0.00 O ATOM 0 H GLU A 17 -7.035 2.157 13.703 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.820 4.900 13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.634 5.408 14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.447 4.205 15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.138 2.499 13.598 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.072 3.873 13.380 1.00 0.00 H new ATOM 262 N THR A 18 -6.443 5.684 11.346 1.00 0.00 N ATOM 263 CA THR A 18 -5.896 6.067 10.055 1.00 0.00 C ATOM 264 C THR A 18 -4.547 6.767 10.235 1.00 0.00 C ATOM 265 O THR A 18 -4.445 7.746 10.973 1.00 0.00 O ATOM 266 CB THR A 18 -6.937 6.928 9.338 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.907 5.991 8.879 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.392 7.559 8.054 1.00 0.00 C ATOM 0 H THR A 18 -6.842 6.452 11.886 1.00 0.00 H new ATOM 0 HA THR A 18 -5.693 5.194 9.435 1.00 0.00 H new ATOM 0 HB THR A 18 -7.283 7.713 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.621 6.465 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.171 8.160 7.585 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.539 8.194 8.294 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.077 6.773 7.368 1.00 0.00 H new ATOM 276 N LEU A 19 -3.546 6.238 9.547 1.00 0.00 N ATOM 277 CA LEU A 19 -2.208 6.800 9.621 1.00 0.00 C ATOM 278 C LEU A 19 -1.984 7.732 8.427 1.00 0.00 C ATOM 279 O LEU A 19 -2.561 7.530 7.361 1.00 0.00 O ATOM 280 CB LEU A 19 -1.164 5.687 9.736 1.00 0.00 C ATOM 281 CG LEU A 19 -1.082 4.983 11.092 1.00 0.00 C ATOM 282 CD1 LEU A 19 -2.459 4.484 11.536 1.00 0.00 C ATOM 283 CD2 LEU A 19 -0.046 3.857 11.064 1.00 0.00 C ATOM 0 H LEU A 19 -3.635 5.426 8.936 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.098 7.403 10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.374 4.938 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.185 6.109 9.508 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.749 5.709 11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.372 3.988 12.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.142 5.329 11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.845 3.779 10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.008 3.373 12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.325 3.124 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.934 4.270 10.825 1.00 0.00 H new ATOM 295 N THR A 20 -1.144 8.732 8.649 1.00 0.00 N ATOM 296 CA THR A 20 -0.837 9.695 7.605 1.00 0.00 C ATOM 297 C THR A 20 0.676 9.786 7.392 1.00 0.00 C ATOM 298 O THR A 20 1.426 10.026 8.337 1.00 0.00 O ATOM 299 CB THR A 20 -1.478 11.030 7.990 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.859 10.720 8.146 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.450 12.045 6.845 1.00 0.00 C ATOM 0 H THR A 20 -0.667 8.896 9.535 1.00 0.00 H new ATOM 0 HA THR A 20 -1.251 9.384 6.646 1.00 0.00 H new ATOM 0 HB THR A 20 -0.960 11.445 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.350 11.530 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.917 12.974 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.417 12.240 6.557 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.996 11.645 5.991 1.00 0.00 H new ATOM 309 N THR A 21 1.078 9.590 6.145 1.00 0.00 N ATOM 310 CA THR A 21 2.487 9.648 5.796 1.00 0.00 C ATOM 311 C THR A 21 2.659 10.074 4.337 1.00 0.00 C ATOM 312 O THR A 21 1.865 9.694 3.479 1.00 0.00 O ATOM 313 CB THR A 21 3.107 8.283 6.107 1.00 0.00 C ATOM 314 OG1 THR A 21 4.511 8.522 6.067 1.00 0.00 O ATOM 315 CG2 THR A 21 2.870 7.264 4.991 1.00 0.00 C ATOM 0 H THR A 21 0.453 9.391 5.364 1.00 0.00 H new ATOM 0 HA THR A 21 3.009 10.402 6.385 1.00 0.00 H new ATOM 0 HB THR A 21 2.694 7.901 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.984 7.673 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.330 6.314 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.799 7.121 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.312 7.630 4.064 1.00 0.00 H new ATOM 323 N LYS A 22 3.701 10.858 4.101 1.00 0.00 N ATOM 324 CA LYS A 22 3.986 11.340 2.761 1.00 0.00 C ATOM 325 C LYS A 22 4.507 10.183 1.907 1.00 0.00 C ATOM 326 O LYS A 22 4.602 9.052 2.381 1.00 0.00 O ATOM 327 CB LYS A 22 4.934 12.540 2.814 1.00 0.00 C ATOM 328 CG LYS A 22 4.320 13.689 3.618 1.00 0.00 C ATOM 329 CD LYS A 22 4.378 15.001 2.832 1.00 0.00 C ATOM 330 CE LYS A 22 3.045 15.748 2.915 1.00 0.00 C ATOM 0 H LYS A 22 4.358 11.171 4.816 1.00 0.00 H new ATOM 0 HA LYS A 22 3.075 11.703 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.880 12.241 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.156 12.878 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.284 13.453 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.853 13.803 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.177 15.630 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.619 14.794 1.789 1.00 0.00 H new ATOM 344 N GLY A 23 4.833 10.506 0.665 1.00 0.00 N ATOM 345 CA GLY A 23 5.342 9.507 -0.260 1.00 0.00 C ATOM 346 C GLY A 23 6.434 10.095 -1.156 1.00 0.00 C ATOM 347 O GLY A 23 7.295 10.836 -0.686 1.00 0.00 O ATOM 0 H GLY A 23 4.755 11.446 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.741 8.660 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.527 9.127 -0.876 1.00 0.00 H new ATOM 351 N LYS A 24 6.360 9.743 -2.431 1.00 0.00 N ATOM 352 CA LYS A 24 7.332 10.227 -3.398 1.00 0.00 C ATOM 353 C LYS A 24 7.128 9.497 -4.728 1.00 0.00 C ATOM 354 O LYS A 24 7.965 8.693 -5.133 1.00 0.00 O ATOM 355 CB LYS A 24 8.751 10.103 -2.840 1.00 0.00 C ATOM 356 CG LYS A 24 9.792 10.244 -3.952 1.00 0.00 C ATOM 357 CD LYS A 24 10.575 8.943 -4.138 1.00 0.00 C ATOM 358 CE LYS A 24 11.509 9.032 -5.347 1.00 0.00 C ATOM 0 H LYS A 24 5.643 9.129 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 24 7.182 11.289 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.916 10.870 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.869 9.138 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.298 10.512 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.479 11.055 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.156 8.733 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.881 8.113 -4.270 1.00 0.00 H new ATOM 372 N ILE A 25 6.011 9.806 -5.370 1.00 0.00 N ATOM 373 CA ILE A 25 5.687 9.189 -6.646 1.00 0.00 C ATOM 374 C ILE A 25 6.931 8.494 -7.201 1.00 0.00 C ATOM 375 O ILE A 25 7.721 9.107 -7.918 1.00 0.00 O ATOM 376 CB ILE A 25 5.081 10.220 -7.600 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.330 9.831 -9.058 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.595 11.627 -7.285 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.130 10.191 -9.935 1.00 0.00 C ATOM 0 H ILE A 25 5.319 10.475 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 25 4.924 8.422 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 25 4.001 10.231 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.220 10.341 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.525 8.761 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.149 12.341 -7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.323 11.894 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.680 11.650 -7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.334 9.904 -10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.247 9.661 -9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.953 11.265 -9.886 1.00 0.00 H new ATOM 391 N GLY A 26 7.066 7.224 -6.850 1.00 0.00 N ATOM 392 CA GLY A 26 8.200 6.438 -7.305 1.00 0.00 C ATOM 393 C GLY A 26 8.779 5.598 -6.164 1.00 0.00 C ATOM 394 O GLY A 26 9.493 4.626 -6.405 1.00 0.00 O ATOM 0 H GLY A 26 6.409 6.719 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.890 5.785 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.970 7.100 -7.701 1.00 0.00 H new ATOM 398 N ASP A 27 8.448 6.004 -4.947 1.00 0.00 N ATOM 399 CA ASP A 27 8.925 5.300 -3.769 1.00 0.00 C ATOM 400 C ASP A 27 7.992 4.125 -3.468 1.00 0.00 C ATOM 401 O ASP A 27 6.787 4.210 -3.699 1.00 0.00 O ATOM 402 CB ASP A 27 8.936 6.219 -2.546 1.00 0.00 C ATOM 403 CG ASP A 27 9.145 5.511 -1.206 1.00 0.00 C ATOM 404 OD1 ASP A 27 9.773 4.445 -1.138 1.00 0.00 O ATOM 405 OD2 ASP A 27 8.621 6.105 -0.187 1.00 0.00 O ATOM 0 H ASP A 27 7.856 6.811 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 27 9.939 4.954 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.725 6.960 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.991 6.761 -2.510 1.00 0.00 H new ATOM 411 N SER A 28 8.586 3.055 -2.959 1.00 0.00 N ATOM 412 CA SER A 28 7.823 1.865 -2.625 1.00 0.00 C ATOM 413 C SER A 28 6.890 2.155 -1.447 1.00 0.00 C ATOM 414 O SER A 28 7.073 3.140 -0.733 1.00 0.00 O ATOM 415 CB SER A 28 8.749 0.694 -2.293 1.00 0.00 C ATOM 416 OG SER A 28 9.049 -0.093 -3.443 1.00 0.00 O ATOM 0 H SER A 28 9.586 2.988 -2.770 1.00 0.00 H new ATOM 0 HA SER A 28 7.225 1.586 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.675 1.075 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.281 0.065 -1.536 1.00 0.00 H new ATOM 0 HG SER A 28 8.378 0.073 -4.137 1.00 0.00 H new ATOM 422 N LEU A 29 5.909 1.279 -1.281 1.00 0.00 N ATOM 423 CA LEU A 29 4.948 1.429 -0.203 1.00 0.00 C ATOM 424 C LEU A 29 5.544 0.863 1.088 1.00 0.00 C ATOM 425 O LEU A 29 5.395 1.456 2.155 1.00 0.00 O ATOM 426 CB LEU A 29 3.608 0.798 -0.589 1.00 0.00 C ATOM 427 CG LEU A 29 2.581 1.740 -1.223 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.420 0.954 -1.834 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.100 2.784 -0.214 1.00 0.00 C ATOM 0 H LEU A 29 5.760 0.464 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 29 4.739 2.483 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.800 -0.019 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.165 0.358 0.305 1.00 0.00 H new ATOM 0 HG LEU A 29 3.067 2.279 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.705 1.647 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.800 0.283 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.926 0.371 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.371 3.441 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.637 2.282 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.949 3.374 0.132 1.00 0.00 H new ATOM 441 N LEU A 30 6.205 -0.276 0.948 1.00 0.00 N ATOM 442 CA LEU A 30 6.823 -0.928 2.090 1.00 0.00 C ATOM 443 C LEU A 30 7.856 0.014 2.712 1.00 0.00 C ATOM 444 O LEU A 30 8.170 -0.098 3.896 1.00 0.00 O ATOM 445 CB LEU A 30 7.398 -2.287 1.685 1.00 0.00 C ATOM 446 CG LEU A 30 6.562 -3.099 0.692 1.00 0.00 C ATOM 447 CD1 LEU A 30 7.302 -3.269 -0.636 1.00 0.00 C ATOM 448 CD2 LEU A 30 6.150 -4.443 1.294 1.00 0.00 C ATOM 0 H LEU A 30 6.326 -0.765 0.061 1.00 0.00 H new ATOM 0 HA LEU A 30 6.078 -1.138 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.386 -2.127 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.537 -2.884 2.586 1.00 0.00 H new ATOM 0 HG LEU A 30 5.647 -2.546 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.687 -3.849 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.504 -2.289 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.244 -3.790 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.557 -5.000 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.041 -5.015 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.557 -4.273 2.193 1.00 0.00 H new ATOM 460 N ASP A 31 8.354 0.923 1.886 1.00 0.00 N ATOM 461 CA ASP A 31 9.343 1.885 2.340 1.00 0.00 C ATOM 462 C ASP A 31 8.645 3.000 3.121 1.00 0.00 C ATOM 463 O ASP A 31 9.047 3.329 4.235 1.00 0.00 O ATOM 464 CB ASP A 31 10.076 2.522 1.158 1.00 0.00 C ATOM 465 CG ASP A 31 10.771 1.534 0.219 1.00 0.00 C ATOM 466 OD1 ASP A 31 11.607 1.922 -0.611 1.00 0.00 O ATOM 467 OD2 ASP A 31 10.420 0.302 0.367 1.00 0.00 O ATOM 0 H ASP A 31 8.091 1.013 0.905 1.00 0.00 H new ATOM 0 HA ASP A 31 10.061 1.358 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.361 3.108 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.821 3.218 1.544 1.00 0.00 H new ATOM 473 N VAL A 32 7.610 3.551 2.504 1.00 0.00 N ATOM 474 CA VAL A 32 6.851 4.622 3.126 1.00 0.00 C ATOM 475 C VAL A 32 6.492 4.221 4.558 1.00 0.00 C ATOM 476 O VAL A 32 6.383 5.075 5.437 1.00 0.00 O ATOM 477 CB VAL A 32 5.625 4.959 2.274 1.00 0.00 C ATOM 478 CG1 VAL A 32 4.706 5.942 3.001 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.042 5.506 0.907 1.00 0.00 C ATOM 0 H VAL A 32 7.279 3.275 1.579 1.00 0.00 H new ATOM 0 HA VAL A 32 7.450 5.531 3.183 1.00 0.00 H new ATOM 0 HB VAL A 32 5.066 4.037 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.843 6.165 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.369 5.500 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.250 6.863 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.153 5.738 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.633 6.412 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.638 4.759 0.382 1.00 0.00 H new ATOM 489 N VAL A 33 6.315 2.922 4.748 1.00 0.00 N ATOM 490 CA VAL A 33 5.970 2.397 6.058 1.00 0.00 C ATOM 491 C VAL A 33 7.235 2.303 6.915 1.00 0.00 C ATOM 492 O VAL A 33 7.252 2.766 8.054 1.00 0.00 O ATOM 493 CB VAL A 33 5.246 1.057 5.911 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.132 0.345 7.261 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.870 1.244 5.273 1.00 0.00 C ATOM 0 H VAL A 33 6.404 2.217 4.016 1.00 0.00 H new ATOM 0 HA VAL A 33 5.281 3.069 6.569 1.00 0.00 H new ATOM 0 HB VAL A 33 5.839 0.427 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.614 -0.605 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.129 0.161 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.572 0.970 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.377 0.276 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.265 1.901 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.985 1.689 4.285 1.00 0.00 H new ATOM 505 N VAL A 34 8.262 1.700 6.333 1.00 0.00 N ATOM 506 CA VAL A 34 9.526 1.540 7.029 1.00 0.00 C ATOM 507 C VAL A 34 10.081 2.918 7.394 1.00 0.00 C ATOM 508 O VAL A 34 10.770 3.067 8.403 1.00 0.00 O ATOM 509 CB VAL A 34 10.492 0.713 6.176 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.940 0.934 6.617 1.00 0.00 C ATOM 511 CG2 VAL A 34 10.125 -0.771 6.218 1.00 0.00 C ATOM 0 H VAL A 34 8.244 1.317 5.388 1.00 0.00 H new ATOM 0 HA VAL A 34 9.383 0.991 7.960 1.00 0.00 H new ATOM 0 HB VAL A 34 10.402 1.051 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.605 0.335 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.196 1.988 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.052 0.636 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.826 -1.337 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.173 -1.129 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.114 -0.907 5.833 1.00 0.00 H new ATOM 521 N GLN A 35 9.762 3.891 6.553 1.00 0.00 N ATOM 522 CA GLN A 35 10.219 5.252 6.774 1.00 0.00 C ATOM 523 C GLN A 35 9.294 5.971 7.758 1.00 0.00 C ATOM 524 O GLN A 35 9.652 7.013 8.306 1.00 0.00 O ATOM 525 CB GLN A 35 10.318 6.019 5.454 1.00 0.00 C ATOM 526 CG GLN A 35 11.275 5.321 4.485 1.00 0.00 C ATOM 527 CD GLN A 35 12.631 6.028 4.450 1.00 0.00 C ATOM 528 OE1 GLN A 35 12.726 7.245 4.439 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.672 5.201 4.432 1.00 0.00 N ATOM 0 H GLN A 35 9.192 3.763 5.717 1.00 0.00 H new ATOM 0 HA GLN A 35 11.218 5.212 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.330 6.099 5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.664 7.035 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.410 4.282 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.841 5.309 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.522 4.192 4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.620 5.575 4.407 1.00 0.00 H new ATOM 538 N ASN A 36 8.121 5.386 7.953 1.00 0.00 N ATOM 539 CA ASN A 36 7.141 5.956 8.861 1.00 0.00 C ATOM 540 C ASN A 36 7.311 5.332 10.247 1.00 0.00 C ATOM 541 O ASN A 36 6.460 5.504 11.118 1.00 0.00 O ATOM 542 CB ASN A 36 5.715 5.670 8.385 1.00 0.00 C ATOM 543 CG ASN A 36 4.686 6.260 9.349 1.00 0.00 C ATOM 544 OD1 ASN A 36 4.037 5.562 10.110 1.00 0.00 O ATOM 545 ND2 ASN A 36 4.571 7.584 9.275 1.00 0.00 N ATOM 0 H ASN A 36 7.827 4.522 7.497 1.00 0.00 H new ATOM 0 HA ASN A 36 7.300 7.034 8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.569 6.090 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.565 4.594 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.909 8.073 9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.145 8.110 8.616 1.00 0.00 H new ATOM 552 N ASN A 37 8.416 4.618 10.408 1.00 0.00 N ATOM 553 CA ASN A 37 8.709 3.966 11.673 1.00 0.00 C ATOM 554 C ASN A 37 7.953 2.637 11.743 1.00 0.00 C ATOM 555 O ASN A 37 7.765 2.082 12.825 1.00 0.00 O ATOM 556 CB ASN A 37 8.259 4.828 12.853 1.00 0.00 C ATOM 557 CG ASN A 37 9.098 4.534 14.099 1.00 0.00 C ATOM 558 OD1 ASN A 37 9.971 3.682 14.103 1.00 0.00 O ATOM 559 ND2 ASN A 37 8.786 5.284 15.151 1.00 0.00 N ATOM 0 H ASN A 37 9.119 4.477 9.683 1.00 0.00 H new ATOM 0 HA ASN A 37 9.786 3.809 11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.347 5.883 12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.207 4.639 13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.289 5.164 16.030 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.044 5.980 15.079 1.00 0.00 H new ATOM 566 N LEU A 38 7.542 2.165 10.576 1.00 0.00 N ATOM 567 CA LEU A 38 6.812 0.911 10.492 1.00 0.00 C ATOM 568 C LEU A 38 5.950 0.742 11.745 1.00 0.00 C ATOM 569 O LEU A 38 6.380 0.127 12.720 1.00 0.00 O ATOM 570 CB LEU A 38 7.772 -0.254 10.244 1.00 0.00 C ATOM 571 CG LEU A 38 8.889 -0.432 11.275 1.00 0.00 C ATOM 572 CD1 LEU A 38 8.703 -1.729 12.066 1.00 0.00 C ATOM 573 CD2 LEU A 38 10.266 -0.358 10.611 1.00 0.00 C ATOM 0 H LEU A 38 7.700 2.628 9.681 1.00 0.00 H new ATOM 0 HA LEU A 38 6.135 0.922 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.191 -1.176 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.228 -0.121 9.263 1.00 0.00 H new ATOM 0 HG LEU A 38 8.831 0.391 11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.510 -1.831 12.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.747 -1.703 12.588 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.720 -2.578 11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.041 -0.487 11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.352 -1.146 9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.386 0.613 10.130 1.00 0.00 H new ATOM 585 N ASP A 39 4.750 1.300 11.680 1.00 0.00 N ATOM 586 CA ASP A 39 3.825 1.218 12.797 1.00 0.00 C ATOM 587 C ASP A 39 2.542 0.520 12.342 1.00 0.00 C ATOM 588 O ASP A 39 1.454 0.839 12.819 1.00 0.00 O ATOM 589 CB ASP A 39 3.449 2.612 13.304 1.00 0.00 C ATOM 590 CG ASP A 39 3.347 2.741 14.825 1.00 0.00 C ATOM 591 OD1 ASP A 39 2.245 2.717 15.395 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.474 2.873 15.439 1.00 0.00 O ATOM 0 H ASP A 39 4.397 1.811 10.871 1.00 0.00 H new ATOM 0 HA ASP A 39 4.312 0.661 13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.190 3.326 12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.492 2.896 12.865 1.00 0.00 H new ATOM 598 N ILE A 40 2.713 -0.421 11.424 1.00 0.00 N ATOM 599 CA ILE A 40 1.582 -1.168 10.899 1.00 0.00 C ATOM 600 C ILE A 40 1.965 -2.644 10.776 1.00 0.00 C ATOM 601 O ILE A 40 2.128 -3.156 9.669 1.00 0.00 O ATOM 602 CB ILE A 40 1.092 -0.547 9.590 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.531 0.856 9.824 1.00 0.00 C ATOM 604 CG2 ILE A 40 0.079 -1.461 8.895 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.404 1.623 8.506 1.00 0.00 C ATOM 0 H ILE A 40 3.617 -0.683 11.031 1.00 0.00 H new ATOM 0 HA ILE A 40 0.737 -1.114 11.585 1.00 0.00 H new ATOM 0 HB ILE A 40 1.946 -0.444 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.445 0.786 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.182 1.403 10.506 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.254 -0.996 7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.547 -2.420 8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.778 -1.618 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.003 2.618 8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.386 1.713 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.267 1.086 7.836 1.00 0.00 H new ATOM 657 N GLY A 44 4.895 -5.410 5.096 1.00 0.00 N ATOM 658 CA GLY A 44 5.761 -6.311 4.355 1.00 0.00 C ATOM 659 C GLY A 44 6.921 -6.797 5.227 1.00 0.00 C ATOM 660 O GLY A 44 7.653 -5.990 5.799 1.00 0.00 O ATOM 0 HA2 GLY A 44 5.185 -7.166 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.152 -5.803 3.474 1.00 0.00 H new ATOM 664 N ALA A 45 7.052 -8.114 5.301 1.00 0.00 N ATOM 665 CA ALA A 45 8.110 -8.716 6.093 1.00 0.00 C ATOM 666 C ALA A 45 9.237 -9.176 5.166 1.00 0.00 C ATOM 667 O ALA A 45 10.449 -9.253 5.496 1.00 0.00 O ATOM 668 CB ALA A 45 7.534 -9.864 6.925 1.00 0.00 C ATOM 0 H ALA A 45 6.443 -8.780 4.826 1.00 0.00 H new ATOM 0 HA ALA A 45 8.531 -7.989 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.328 -10.316 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.758 -9.480 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.105 -10.615 6.261 1.00 0.00 H new ATOM 674 N CYS A 46 8.855 -9.505 3.941 1.00 0.00 N ATOM 675 CA CYS A 46 9.761 -9.966 2.903 1.00 0.00 C ATOM 676 C CYS A 46 10.300 -8.849 2.032 1.00 0.00 C ATOM 677 O CYS A 46 11.046 -9.159 1.104 1.00 0.00 O ATOM 678 CB CYS A 46 9.146 -11.069 2.051 1.00 0.00 C ATOM 679 SG CYS A 46 7.906 -10.604 0.824 1.00 0.00 S ATOM 0 H CYS A 46 7.883 -9.457 3.635 1.00 0.00 H new ATOM 0 HA CYS A 46 10.614 -10.386 3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.956 -11.579 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.693 -11.797 2.724 1.00 0.00 H new ATOM 0 HG CYS A 46 6.809 -10.252 1.427 1.00 0.00 H new ATOM 684 N GLU A 47 9.923 -7.610 2.310 1.00 0.00 N ATOM 685 CA GLU A 47 10.382 -6.490 1.507 1.00 0.00 C ATOM 686 C GLU A 47 9.508 -6.338 0.260 1.00 0.00 C ATOM 687 O GLU A 47 9.660 -5.378 -0.495 1.00 0.00 O ATOM 688 CB GLU A 47 11.855 -6.654 1.127 1.00 0.00 C ATOM 689 CG GLU A 47 12.522 -5.293 0.917 1.00 0.00 C ATOM 690 CD GLU A 47 13.324 -5.272 -0.386 1.00 0.00 C ATOM 691 OE1 GLU A 47 14.179 -6.144 -0.602 1.00 0.00 O ATOM 692 OE2 GLU A 47 13.033 -4.306 -1.189 1.00 0.00 O ATOM 0 H GLU A 47 9.304 -7.357 3.081 1.00 0.00 H new ATOM 0 HA GLU A 47 10.294 -5.581 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.378 -7.202 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.935 -7.247 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.763 -4.511 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.180 -5.073 1.757 1.00 0.00 H new ATOM 700 N GLY A 48 8.614 -7.298 0.082 1.00 0.00 N ATOM 701 CA GLY A 48 7.716 -7.283 -1.060 1.00 0.00 C ATOM 702 C GLY A 48 8.258 -8.154 -2.196 1.00 0.00 C ATOM 703 O GLY A 48 7.973 -7.904 -3.366 1.00 0.00 O ATOM 0 H GLY A 48 8.492 -8.092 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.732 -7.643 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.587 -6.260 -1.412 1.00 0.00 H new ATOM 707 N THR A 49 9.032 -9.159 -1.810 1.00 0.00 N ATOM 708 CA THR A 49 9.617 -10.067 -2.781 1.00 0.00 C ATOM 709 C THR A 49 8.771 -11.337 -2.900 1.00 0.00 C ATOM 710 O THR A 49 9.188 -12.309 -3.527 1.00 0.00 O ATOM 711 CB THR A 49 11.063 -10.338 -2.363 1.00 0.00 C ATOM 712 OG1 THR A 49 10.945 -10.978 -1.095 1.00 0.00 O ATOM 713 CG2 THR A 49 11.836 -9.053 -2.060 1.00 0.00 C ATOM 0 H THR A 49 9.267 -9.364 -0.839 1.00 0.00 H new ATOM 0 HA THR A 49 9.629 -9.627 -3.778 1.00 0.00 H new ATOM 0 HB THR A 49 11.571 -10.890 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.020 -10.309 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.856 -9.302 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.857 -8.423 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.347 -8.517 -1.247 1.00 0.00 H new ATOM 721 N LEU A 50 7.597 -11.287 -2.287 1.00 0.00 N ATOM 722 CA LEU A 50 6.689 -12.421 -2.316 1.00 0.00 C ATOM 723 C LEU A 50 7.268 -13.554 -1.467 1.00 0.00 C ATOM 724 O LEU A 50 7.865 -14.490 -1.998 1.00 0.00 O ATOM 725 CB LEU A 50 6.385 -12.827 -3.759 1.00 0.00 C ATOM 726 CG LEU A 50 5.806 -11.732 -4.656 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.608 -12.241 -6.086 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.513 -11.165 -4.067 1.00 0.00 C ATOM 0 H LEU A 50 7.254 -10.479 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 50 5.729 -12.152 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.305 -13.193 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.685 -13.662 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 50 6.525 -10.914 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.195 -11.442 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.567 -12.557 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.920 -13.087 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.123 -10.388 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.776 -11.963 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.717 -10.739 -3.085 1.00 0.00 H new ATOM 740 N ALA A 51 7.070 -13.434 -0.163 1.00 0.00 N ATOM 741 CA ALA A 51 7.566 -14.437 0.765 1.00 0.00 C ATOM 742 C ALA A 51 7.154 -14.056 2.189 1.00 0.00 C ATOM 743 O ALA A 51 7.867 -14.354 3.145 1.00 0.00 O ATOM 744 CB ALA A 51 9.082 -14.569 0.612 1.00 0.00 C ATOM 0 H ALA A 51 6.573 -12.658 0.274 1.00 0.00 H new ATOM 0 HA ALA A 51 7.131 -15.412 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.454 -15.321 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.320 -14.870 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.554 -13.610 0.827 1.00 0.00 H new ATOM 750 N CYS A 52 6.004 -13.404 2.284 1.00 0.00 N ATOM 751 CA CYS A 52 5.489 -12.979 3.574 1.00 0.00 C ATOM 752 C CYS A 52 3.963 -13.089 3.542 1.00 0.00 C ATOM 753 O CYS A 52 3.356 -13.620 4.471 1.00 0.00 O ATOM 754 CB CYS A 52 5.952 -11.565 3.931 1.00 0.00 C ATOM 755 SG CYS A 52 5.228 -10.356 2.762 1.00 0.00 S ATOM 0 H CYS A 52 5.415 -13.160 1.488 1.00 0.00 H new ATOM 0 HA CYS A 52 5.883 -13.627 4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.653 -11.322 4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.040 -11.510 3.897 1.00 0.00 H new ATOM 0 HG CYS A 52 5.786 -9.195 2.938 1.00 0.00 H new ATOM 761 N SER A 53 3.387 -12.580 2.463 1.00 0.00 N ATOM 762 CA SER A 53 1.945 -12.614 2.298 1.00 0.00 C ATOM 763 C SER A 53 1.286 -11.602 3.237 1.00 0.00 C ATOM 764 O SER A 53 0.061 -11.486 3.270 1.00 0.00 O ATOM 765 CB SER A 53 1.394 -14.018 2.558 1.00 0.00 C ATOM 766 OG SER A 53 0.259 -14.305 1.745 1.00 0.00 O ATOM 0 H SER A 53 3.894 -12.142 1.694 1.00 0.00 H new ATOM 0 HA SER A 53 1.712 -12.347 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.174 -14.755 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.120 -14.111 3.609 1.00 0.00 H new ATOM 0 HG SER A 53 0.553 -14.503 0.831 1.00 0.00 H new ATOM 772 N THR A 54 2.127 -10.896 3.978 1.00 0.00 N ATOM 773 CA THR A 54 1.642 -9.899 4.916 1.00 0.00 C ATOM 774 C THR A 54 2.066 -8.497 4.470 1.00 0.00 C ATOM 775 O THR A 54 2.936 -7.883 5.085 1.00 0.00 O ATOM 776 CB THR A 54 2.151 -10.272 6.309 1.00 0.00 C ATOM 777 OG1 THR A 54 3.568 -10.309 6.164 1.00 0.00 O ATOM 778 CG2 THR A 54 1.779 -11.703 6.705 1.00 0.00 C ATOM 0 H THR A 54 3.142 -10.995 3.948 1.00 0.00 H new ATOM 0 HA THR A 54 0.553 -9.882 4.946 1.00 0.00 H new ATOM 0 HB THR A 54 1.744 -9.575 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.873 -9.490 5.721 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.164 -11.916 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.694 -11.810 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.213 -12.403 5.991 1.00 0.00 H new ATOM 786 N CYS A 55 1.431 -8.033 3.405 1.00 0.00 N ATOM 787 CA CYS A 55 1.731 -6.716 2.869 1.00 0.00 C ATOM 788 C CYS A 55 0.567 -6.285 1.974 1.00 0.00 C ATOM 789 O CYS A 55 0.767 -5.578 0.987 1.00 0.00 O ATOM 790 CB CYS A 55 3.064 -6.701 2.119 1.00 0.00 C ATOM 791 SG CYS A 55 2.838 -7.363 0.428 1.00 0.00 S ATOM 0 H CYS A 55 0.709 -8.545 2.898 1.00 0.00 H new ATOM 0 HA CYS A 55 1.842 -6.004 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.452 -5.684 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.800 -7.298 2.657 1.00 0.00 H new ATOM 0 HG CYS A 55 1.962 -6.642 -0.207 1.00 0.00 H new ATOM 797 N HIS A 56 -0.623 -6.727 2.350 1.00 0.00 N ATOM 798 CA HIS A 56 -1.819 -6.396 1.594 1.00 0.00 C ATOM 799 C HIS A 56 -2.404 -5.080 2.110 1.00 0.00 C ATOM 800 O HIS A 56 -2.175 -4.702 3.258 1.00 0.00 O ATOM 801 CB HIS A 56 -2.824 -7.548 1.636 1.00 0.00 C ATOM 802 CG HIS A 56 -2.872 -8.276 2.958 1.00 0.00 C ATOM 803 ND1 HIS A 56 -2.916 -7.617 4.175 1.00 0.00 N ATOM 804 CD2 HIS A 56 -2.883 -9.610 3.242 1.00 0.00 C ATOM 805 CE1 HIS A 56 -2.949 -8.524 5.140 1.00 0.00 C ATOM 0 H HIS A 56 -0.785 -7.312 3.169 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.562 -6.253 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.817 -7.158 1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.576 -8.261 0.850 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.922 -6.605 4.306 1.00 0.00 H new ATOM 814 N LEU A 57 -3.148 -4.418 1.236 1.00 0.00 N ATOM 815 CA LEU A 57 -3.767 -3.151 1.588 1.00 0.00 C ATOM 816 C LEU A 57 -5.029 -2.953 0.745 1.00 0.00 C ATOM 817 O LEU A 57 -5.111 -3.445 -0.380 1.00 0.00 O ATOM 818 CB LEU A 57 -2.758 -2.008 1.463 1.00 0.00 C ATOM 819 CG LEU A 57 -1.844 -1.785 2.671 1.00 0.00 C ATOM 820 CD1 LEU A 57 -0.828 -0.676 2.391 1.00 0.00 C ATOM 821 CD2 LEU A 57 -2.662 -1.508 3.933 1.00 0.00 C ATOM 0 H LEU A 57 -3.336 -4.735 0.285 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.079 -3.157 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.133 -2.195 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.306 -1.085 1.272 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.280 -2.701 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.191 -0.537 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.214 -0.953 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.354 0.254 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.989 -1.353 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.269 -0.615 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.312 -2.358 4.139 1.00 0.00 H new ATOM 833 N ILE A 58 -5.979 -2.232 1.320 1.00 0.00 N ATOM 834 CA ILE A 58 -7.232 -1.962 0.635 1.00 0.00 C ATOM 835 C ILE A 58 -7.165 -0.579 -0.015 1.00 0.00 C ATOM 836 O ILE A 58 -7.185 0.437 0.678 1.00 0.00 O ATOM 837 CB ILE A 58 -8.413 -2.137 1.592 1.00 0.00 C ATOM 838 CG1 ILE A 58 -8.123 -3.224 2.629 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.707 -2.411 0.821 1.00 0.00 C ATOM 840 CD1 ILE A 58 -8.148 -4.613 1.991 1.00 0.00 C ATOM 0 H ILE A 58 -5.907 -1.826 2.253 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.392 -2.683 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.553 -1.203 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.148 -3.047 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.862 -3.174 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.531 -2.532 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.918 -1.574 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.595 -3.323 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.939 -5.366 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.131 -4.797 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.392 -4.667 1.208 1.00 0.00 H new ATOM 852 N PHE A 59 -7.090 -0.586 -1.338 1.00 0.00 N ATOM 853 CA PHE A 59 -7.021 0.657 -2.089 1.00 0.00 C ATOM 854 C PHE A 59 -8.390 1.028 -2.662 1.00 0.00 C ATOM 855 O PHE A 59 -9.021 0.221 -3.344 1.00 0.00 O ATOM 856 CB PHE A 59 -6.043 0.427 -3.243 1.00 0.00 C ATOM 857 CG PHE A 59 -4.649 -0.017 -2.798 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.427 -1.312 -2.448 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.630 0.883 -2.753 1.00 0.00 C ATOM 860 CE1 PHE A 59 -3.133 -1.726 -2.035 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.335 0.471 -2.340 1.00 0.00 C ATOM 862 CZ PHE A 59 -2.114 -0.825 -1.989 1.00 0.00 C ATOM 0 H PHE A 59 -7.075 -1.431 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.698 1.469 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.457 -0.328 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.953 1.348 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.236 -2.027 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.806 1.912 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.958 -2.755 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.526 1.186 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.130 -1.139 -1.674 1.00 0.00 H new ATOM 872 N GLU A 60 -8.809 2.249 -2.365 1.00 0.00 N ATOM 873 CA GLU A 60 -10.093 2.735 -2.842 1.00 0.00 C ATOM 874 C GLU A 60 -10.353 2.239 -4.265 1.00 0.00 C ATOM 875 O GLU A 60 -9.424 2.107 -5.060 1.00 0.00 O ATOM 876 CB GLU A 60 -10.159 4.263 -2.773 1.00 0.00 C ATOM 877 CG GLU A 60 -11.274 4.723 -1.833 1.00 0.00 C ATOM 878 CD GLU A 60 -10.902 4.462 -0.372 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.727 4.596 0.002 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.884 4.111 0.386 1.00 0.00 O ATOM 0 H GLU A 60 -8.283 2.916 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.874 2.340 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.203 4.656 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.329 4.668 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.462 5.787 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.198 4.199 -2.076 1.00 0.00 H new ATOM 888 N GLN A 61 -11.622 1.976 -4.543 1.00 0.00 N ATOM 889 CA GLN A 61 -12.016 1.496 -5.855 1.00 0.00 C ATOM 890 C GLN A 61 -11.537 2.463 -6.941 1.00 0.00 C ATOM 891 O GLN A 61 -11.414 2.084 -8.105 1.00 0.00 O ATOM 892 CB GLN A 61 -13.531 1.294 -5.933 1.00 0.00 C ATOM 893 CG GLN A 61 -13.886 0.182 -6.923 1.00 0.00 C ATOM 894 CD GLN A 61 -15.402 0.038 -7.065 1.00 0.00 C ATOM 895 OE1 GLN A 61 -16.051 -0.706 -6.347 1.00 0.00 O ATOM 896 NE2 GLN A 61 -15.930 0.788 -8.028 1.00 0.00 N ATOM 0 H GLN A 61 -12.390 2.087 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.543 0.528 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.919 1.044 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.010 2.224 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.445 0.402 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.458 -0.761 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.330 1.389 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.935 0.762 -8.202 1.00 0.00 H new ATOM 905 N HIS A 62 -11.277 3.691 -6.521 1.00 0.00 N ATOM 906 CA HIS A 62 -10.812 4.716 -7.442 1.00 0.00 C ATOM 907 C HIS A 62 -9.286 4.659 -7.544 1.00 0.00 C ATOM 908 O HIS A 62 -8.706 5.171 -8.501 1.00 0.00 O ATOM 909 CB HIS A 62 -11.328 6.094 -7.026 1.00 0.00 C ATOM 910 CG HIS A 62 -12.030 6.847 -8.131 1.00 0.00 C ATOM 911 ND1 HIS A 62 -11.374 7.728 -8.973 1.00 0.00 N ATOM 912 CD2 HIS A 62 -13.336 6.839 -8.523 1.00 0.00 C ATOM 913 CE1 HIS A 62 -12.255 8.223 -9.829 1.00 0.00 C ATOM 0 H HIS A 62 -11.379 4.001 -5.555 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.215 4.527 -8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.015 5.975 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.490 6.692 -6.669 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -10.381 7.957 -8.940 1.00 0.00 H new ATOM 922 N ILE A 63 -8.681 4.032 -6.547 1.00 0.00 N ATOM 923 CA ILE A 63 -7.235 3.902 -6.513 1.00 0.00 C ATOM 924 C ILE A 63 -6.838 2.527 -7.053 1.00 0.00 C ATOM 925 O ILE A 63 -5.997 2.424 -7.945 1.00 0.00 O ATOM 926 CB ILE A 63 -6.703 4.188 -5.107 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.420 5.386 -4.483 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.184 4.372 -5.122 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.684 5.876 -3.234 1.00 0.00 C ATOM 0 H ILE A 63 -9.166 3.608 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.771 4.646 -7.161 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.916 3.323 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.486 6.194 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.441 5.108 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.832 4.574 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.711 3.464 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.925 5.209 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.215 6.728 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.641 5.073 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.671 6.176 -3.503 1.00 0.00 H new ATOM 941 N PHE A 64 -7.462 1.502 -6.489 1.00 0.00 N ATOM 942 CA PHE A 64 -7.184 0.137 -6.903 1.00 0.00 C ATOM 943 C PHE A 64 -7.341 -0.020 -8.417 1.00 0.00 C ATOM 944 O PHE A 64 -6.564 -0.726 -9.056 1.00 0.00 O ATOM 945 CB PHE A 64 -8.206 -0.759 -6.201 1.00 0.00 C ATOM 946 CG PHE A 64 -8.367 -2.138 -6.841 1.00 0.00 C ATOM 947 CD1 PHE A 64 -7.364 -3.053 -6.749 1.00 0.00 C ATOM 948 CD2 PHE A 64 -9.514 -2.452 -7.503 1.00 0.00 C ATOM 949 CE1 PHE A 64 -7.514 -4.334 -7.344 1.00 0.00 C ATOM 950 CE2 PHE A 64 -9.664 -3.732 -8.098 1.00 0.00 C ATOM 951 CZ PHE A 64 -8.661 -4.646 -8.006 1.00 0.00 C ATOM 0 H PHE A 64 -8.159 1.590 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.160 -0.130 -6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.909 -0.885 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.173 -0.256 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.454 -2.805 -6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.311 -1.727 -7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.718 -5.060 -7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.574 -3.980 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.775 -5.620 -8.459 1.00 0.00 H new ATOM 961 N GLU A 65 -8.353 0.653 -8.948 1.00 0.00 N ATOM 962 CA GLU A 65 -8.622 0.597 -10.375 1.00 0.00 C ATOM 963 C GLU A 65 -7.489 1.266 -11.155 1.00 0.00 C ATOM 964 O GLU A 65 -7.351 1.055 -12.359 1.00 0.00 O ATOM 965 CB GLU A 65 -9.971 1.240 -10.704 1.00 0.00 C ATOM 966 CG GLU A 65 -9.916 2.756 -10.507 1.00 0.00 C ATOM 967 CD GLU A 65 -11.135 3.434 -11.136 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.274 3.170 -10.723 1.00 0.00 O ATOM 969 OE2 GLU A 65 -10.867 4.265 -12.086 1.00 0.00 O ATOM 0 H GLU A 65 -8.996 1.239 -8.415 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.674 -0.450 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.245 1.013 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.746 0.814 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.876 2.987 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.004 3.152 -10.954 1.00 0.00 H new ATOM 977 N LYS A 66 -6.708 2.061 -10.437 1.00 0.00 N ATOM 978 CA LYS A 66 -5.592 2.763 -11.048 1.00 0.00 C ATOM 979 C LYS A 66 -4.315 1.940 -10.862 1.00 0.00 C ATOM 980 O LYS A 66 -3.417 1.985 -11.701 1.00 0.00 O ATOM 981 CB LYS A 66 -5.491 4.187 -10.499 1.00 0.00 C ATOM 982 CG LYS A 66 -6.589 5.079 -11.083 1.00 0.00 C ATOM 983 CD LYS A 66 -6.287 6.557 -10.828 1.00 0.00 C ATOM 984 CE LYS A 66 -6.326 7.356 -12.132 1.00 0.00 C ATOM 0 H LYS A 66 -6.826 2.234 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.750 2.870 -12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.572 4.168 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.513 4.604 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.675 4.901 -12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.549 4.818 -10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.014 6.965 -10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.305 6.657 -10.365 1.00 0.00 H new ATOM 998 N LEU A 67 -4.276 1.207 -9.760 1.00 0.00 N ATOM 999 CA LEU A 67 -3.124 0.375 -9.454 1.00 0.00 C ATOM 1000 C LEU A 67 -2.894 -0.610 -10.600 1.00 0.00 C ATOM 1001 O LEU A 67 -3.794 -0.860 -11.400 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.296 -0.296 -8.090 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.394 0.644 -6.887 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.858 -0.111 -5.639 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.072 1.377 -6.655 1.00 0.00 C ATOM 0 H LEU A 67 -5.024 1.171 -9.067 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.224 0.984 -9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.196 -0.910 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.455 -0.971 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.147 1.401 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.920 0.580 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.840 -0.548 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.146 -0.903 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.169 2.039 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.281 0.651 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.822 1.965 -7.538 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.682 -1.144 -10.645 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.321 -2.097 -11.682 1.00 0.00 C ATOM 1019 C GLU A 68 -1.997 -3.445 -11.421 1.00 0.00 C ATOM 1020 O GLU A 68 -2.390 -3.739 -10.292 1.00 0.00 O ATOM 1021 CB GLU A 68 0.198 -2.255 -11.776 1.00 0.00 C ATOM 1022 CG GLU A 68 0.857 -0.948 -12.219 1.00 0.00 C ATOM 1023 CD GLU A 68 0.784 -0.783 -13.739 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.638 -1.779 -14.464 1.00 0.00 O ATOM 1025 OE2 GLU A 68 0.884 0.432 -14.161 1.00 0.00 O ATOM 0 H GLU A 68 -0.937 -0.935 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.674 -1.714 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.597 -2.558 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.442 -3.048 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.364 -0.106 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.899 -0.935 -11.898 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.114 -4.227 -12.483 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.736 -5.537 -12.384 1.00 0.00 C ATOM 1035 C ALA A 69 -1.815 -6.476 -11.601 1.00 0.00 C ATOM 1036 O ALA A 69 -0.662 -6.142 -11.338 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.048 -6.063 -13.787 1.00 0.00 C ATOM 0 H ALA A 69 -1.789 -3.979 -13.417 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.680 -5.473 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.514 -7.045 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.728 -5.376 -14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.124 -6.143 -14.359 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.361 -7.631 -11.252 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.604 -8.621 -10.504 1.00 0.00 C ATOM 1045 C ILE A 70 -1.488 -9.902 -11.333 1.00 0.00 C ATOM 1046 O ILE A 70 -2.267 -10.117 -12.261 1.00 0.00 O ATOM 1047 CB ILE A 70 -2.222 -8.837 -9.122 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -1.137 -9.015 -8.057 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -3.207 -10.008 -9.138 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -1.270 -7.959 -6.958 1.00 0.00 C ATOM 0 H ILE A 70 -3.319 -7.904 -11.473 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.590 -8.266 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.788 -7.944 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.211 -10.011 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.153 -8.942 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.632 -10.140 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.007 -9.801 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.685 -10.918 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.487 -8.108 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.172 -6.965 -7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.246 -8.051 -6.481 1.00 0.00 H new ATOM 1062 N THR A 71 -0.511 -10.718 -10.968 1.00 0.00 N ATOM 1063 CA THR A 71 -0.283 -11.972 -11.667 1.00 0.00 C ATOM 1064 C THR A 71 -0.856 -13.142 -10.863 1.00 0.00 C ATOM 1065 O THR A 71 -1.403 -12.946 -9.779 1.00 0.00 O ATOM 1066 CB THR A 71 1.217 -12.097 -11.938 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.826 -11.646 -10.731 1.00 0.00 O ATOM 1068 CG2 THR A 71 1.706 -11.106 -12.996 1.00 0.00 C ATOM 0 H THR A 71 0.132 -10.536 -10.197 1.00 0.00 H new ATOM 0 HA THR A 71 -0.803 -11.991 -12.625 1.00 0.00 H new ATOM 0 HB THR A 71 1.444 -13.113 -12.261 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.801 -11.695 -10.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.777 -11.237 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.180 -11.286 -13.934 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.510 -10.088 -12.659 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.708 -14.333 -11.426 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.202 -15.534 -10.774 1.00 0.00 C ATOM 1078 C ASP A 72 -0.449 -15.743 -9.459 1.00 0.00 C ATOM 1079 O ASP A 72 -1.058 -15.789 -8.391 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.977 -16.767 -11.650 1.00 0.00 C ATOM 1081 CG ASP A 72 0.384 -16.827 -12.345 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.711 -15.974 -13.185 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.136 -17.813 -11.989 1.00 0.00 O ATOM 0 H ASP A 72 -0.254 -14.491 -12.325 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.270 -15.407 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.093 -17.658 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.758 -16.802 -12.410 1.00 0.00 H new ATOM 1089 N GLU A 73 0.865 -15.865 -9.580 1.00 0.00 N ATOM 1090 CA GLU A 73 1.707 -16.068 -8.414 1.00 0.00 C ATOM 1091 C GLU A 73 1.323 -15.089 -7.304 1.00 0.00 C ATOM 1092 O GLU A 73 1.058 -15.499 -6.175 1.00 0.00 O ATOM 1093 CB GLU A 73 3.188 -15.932 -8.778 1.00 0.00 C ATOM 1094 CG GLU A 73 4.024 -15.578 -7.546 1.00 0.00 C ATOM 1095 CD GLU A 73 5.520 -15.644 -7.863 1.00 0.00 C ATOM 1096 OE1 GLU A 73 5.940 -15.248 -8.960 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.255 -16.125 -6.918 1.00 0.00 O ATOM 0 H GLU A 73 1.367 -15.827 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 73 1.548 -17.082 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.547 -16.866 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.310 -15.161 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.765 -14.577 -7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.790 -16.265 -6.733 1.00 0.00 H new ATOM 1105 N GLU A 74 1.305 -13.814 -7.663 1.00 0.00 N ATOM 1106 CA GLU A 74 0.958 -12.773 -6.711 1.00 0.00 C ATOM 1107 C GLU A 74 -0.476 -12.968 -6.210 1.00 0.00 C ATOM 1108 O GLU A 74 -0.756 -12.774 -5.029 1.00 0.00 O ATOM 1109 CB GLU A 74 1.139 -11.384 -7.326 1.00 0.00 C ATOM 1110 CG GLU A 74 1.123 -10.300 -6.246 1.00 0.00 C ATOM 1111 CD GLU A 74 2.081 -9.160 -6.599 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.941 -8.799 -5.782 1.00 0.00 O ATOM 1113 OE2 GLU A 74 1.910 -8.648 -7.770 1.00 0.00 O ATOM 0 H GLU A 74 1.525 -13.478 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 74 1.634 -12.848 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.081 -11.344 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.344 -11.195 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.112 -9.909 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.406 -10.733 -5.287 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.344 -13.351 -7.135 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.741 -13.574 -6.803 1.00 0.00 C ATOM 1123 C ASN A 75 -2.831 -14.541 -5.620 1.00 0.00 C ATOM 1124 O ASN A 75 -3.634 -14.342 -4.711 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.494 -14.196 -7.980 1.00 0.00 C ATOM 1126 CG ASN A 75 -5.004 -14.188 -7.731 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.495 -14.682 -6.729 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.708 -13.604 -8.695 1.00 0.00 N ATOM 0 H ASN A 75 -1.107 -13.512 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.188 -12.610 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.269 -13.644 -8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.153 -15.220 -8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.724 -13.549 -8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.232 -13.211 -9.507 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.994 -15.567 -5.670 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.969 -16.565 -4.615 1.00 0.00 C ATOM 1137 C ASP A 76 -1.553 -15.900 -3.301 1.00 0.00 C ATOM 1138 O ASP A 76 -2.183 -16.116 -2.266 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.958 -17.671 -4.925 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.600 -18.571 -3.742 1.00 0.00 C ATOM 1141 OD1 ASP A 76 -1.304 -19.549 -3.447 1.00 0.00 O ATOM 1142 OD2 ASP A 76 0.465 -18.230 -3.100 1.00 0.00 O ATOM 0 H ASP A 76 -1.328 -15.728 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.966 -16.999 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.357 -18.292 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.044 -17.212 -5.302 1.00 0.00 H new ATOM 1148 N MET A 77 -0.497 -15.105 -3.385 1.00 0.00 N ATOM 1149 CA MET A 77 0.009 -14.408 -2.215 1.00 0.00 C ATOM 1150 C MET A 77 -1.016 -13.401 -1.690 1.00 0.00 C ATOM 1151 O MET A 77 -1.034 -13.092 -0.500 1.00 0.00 O ATOM 1152 CB MET A 77 1.304 -13.676 -2.578 1.00 0.00 C ATOM 1153 CG MET A 77 2.026 -13.185 -1.321 1.00 0.00 C ATOM 1154 SD MET A 77 2.543 -14.576 -0.331 1.00 0.00 S ATOM 1155 CE MET A 77 4.086 -14.973 -1.136 1.00 0.00 C ATOM 0 H MET A 77 0.022 -14.928 -4.245 1.00 0.00 H new ATOM 0 HA MET A 77 0.202 -15.142 -1.433 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.958 -14.343 -3.140 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.078 -12.829 -3.226 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.892 -12.585 -1.600 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.366 -12.541 -0.741 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.938 -15.815 -1.812 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.433 -14.109 -1.703 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.831 -15.237 -0.385 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.847 -12.919 -2.604 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.872 -11.953 -2.247 1.00 0.00 C ATOM 1167 C LEU A 78 -4.034 -12.679 -1.566 1.00 0.00 C ATOM 1168 O LEU A 78 -4.577 -12.196 -0.574 1.00 0.00 O ATOM 1169 CB LEU A 78 -3.290 -11.139 -3.473 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.793 -10.905 -3.642 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -5.069 -9.516 -4.220 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -5.429 -12.013 -4.483 1.00 0.00 C ATOM 0 H LEU A 78 -1.831 -13.180 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.482 -11.230 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.794 -10.169 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.919 -11.645 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.258 -10.942 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.144 -9.375 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.670 -8.756 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.589 -9.426 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.497 -11.823 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.965 -12.033 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.278 -12.974 -3.992 1.00 0.00 H new ATOM 1184 N ASP A 79 -4.382 -13.829 -2.126 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.469 -14.626 -1.584 1.00 0.00 C ATOM 1186 C ASP A 79 -5.373 -14.643 -0.058 1.00 0.00 C ATOM 1187 O ASP A 79 -6.348 -14.350 0.634 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.392 -16.072 -2.079 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.996 -17.099 -1.016 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.696 -17.278 -0.009 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.902 -17.739 -1.257 1.00 0.00 O ATOM 0 H ASP A 79 -3.930 -14.227 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.408 -14.182 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.362 -16.352 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.673 -16.122 -2.897 1.00 0.00 H new ATOM 1197 N LEU A 80 -4.188 -14.990 0.424 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.952 -15.050 1.857 1.00 0.00 C ATOM 1199 C LEU A 80 -4.666 -13.878 2.536 1.00 0.00 C ATOM 1200 O LEU A 80 -5.176 -14.017 3.646 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.451 -15.108 2.150 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.932 -16.429 2.722 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.670 -16.799 4.010 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.007 -17.545 1.677 1.00 0.00 C ATOM 0 H LEU A 80 -3.382 -15.232 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.371 -15.965 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.912 -14.898 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.206 -14.310 2.851 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.881 -16.299 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.281 -17.742 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.521 -16.015 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.735 -16.904 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.632 -18.473 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.042 -17.682 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.400 -17.276 0.813 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.677 -12.750 1.841 1.00 0.00 N ATOM 1217 CA ALA A 81 -5.319 -11.556 2.363 1.00 0.00 C ATOM 1218 C ALA A 81 -6.672 -11.933 2.970 1.00 0.00 C ATOM 1219 O ALA A 81 -7.441 -12.680 2.365 1.00 0.00 O ATOM 1220 CB ALA A 81 -5.448 -10.517 1.248 1.00 0.00 C ATOM 0 H ALA A 81 -4.251 -12.638 0.921 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.716 -11.111 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.930 -9.621 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.457 -10.262 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.049 -10.927 0.436 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.923 -11.400 4.155 1.00 0.00 N ATOM 1227 CA TYR A 82 -8.170 -11.671 4.850 1.00 0.00 C ATOM 1228 C TYR A 82 -9.275 -10.722 4.383 1.00 0.00 C ATOM 1229 O TYR A 82 -8.994 -9.623 3.906 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.890 -11.420 6.333 1.00 0.00 C ATOM 1231 CG TYR A 82 -8.153 -12.631 7.230 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -7.424 -13.791 7.054 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -9.118 -12.565 8.215 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -7.671 -14.931 7.899 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -9.365 -13.706 9.058 1.00 0.00 C ATOM 1236 CZ TYR A 82 -8.630 -14.832 8.859 1.00 0.00 C ATOM 1237 OH TYR A 82 -8.863 -15.909 9.656 1.00 0.00 O ATOM 0 H TYR A 82 -6.284 -10.781 4.653 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.505 -12.690 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.850 -11.114 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.507 -10.588 6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.669 -13.843 6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.688 -11.658 8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.108 -15.844 7.773 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.118 -13.668 9.831 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.573 -15.695 10.296 1.00 0.00 H new ATOM 1247 N GLY A 83 -10.509 -11.179 4.537 1.00 0.00 N ATOM 1248 CA GLY A 83 -11.657 -10.384 4.137 1.00 0.00 C ATOM 1249 C GLY A 83 -11.355 -9.582 2.870 1.00 0.00 C ATOM 1250 O GLY A 83 -11.750 -8.423 2.756 1.00 0.00 O ATOM 0 H GLY A 83 -10.739 -12.090 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.513 -11.036 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.933 -9.705 4.944 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.656 -10.231 1.950 1.00 0.00 N ATOM 1255 CA LEU A 84 -10.296 -9.593 0.696 1.00 0.00 C ATOM 1256 C LEU A 84 -11.464 -8.728 0.215 1.00 0.00 C ATOM 1257 O LEU A 84 -12.549 -9.239 -0.055 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.843 -10.638 -0.326 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.344 -10.942 -0.356 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -8.071 -12.293 -1.019 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.568 -9.806 -1.025 1.00 0.00 C ATOM 0 H LEU A 84 -10.330 -11.192 2.049 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.444 -8.929 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.378 -11.567 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.145 -10.302 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.989 -11.012 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.998 -12.484 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.576 -13.081 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.445 -12.278 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.505 -10.047 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.919 -9.679 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.726 -8.881 -0.470 1.00 0.00 H new ATOM 1273 N THR A 85 -11.199 -7.433 0.124 1.00 0.00 N ATOM 1274 CA THR A 85 -12.214 -6.493 -0.319 1.00 0.00 C ATOM 1275 C THR A 85 -12.205 -6.377 -1.845 1.00 0.00 C ATOM 1276 O THR A 85 -11.193 -6.659 -2.487 1.00 0.00 O ATOM 1277 CB THR A 85 -11.968 -5.160 0.392 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.796 -4.645 -0.233 1.00 0.00 O ATOM 1279 CG2 THR A 85 -11.560 -5.345 1.855 1.00 0.00 C ATOM 0 H THR A 85 -10.297 -7.013 0.349 1.00 0.00 H new ATOM 0 HA THR A 85 -13.214 -6.839 -0.056 1.00 0.00 H new ATOM 0 HB THR A 85 -12.869 -4.549 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.042 -4.191 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.397 -4.370 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.351 -5.870 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.640 -5.927 1.905 1.00 0.00 H new ATOM 1287 N ASP A 86 -13.343 -5.962 -2.382 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.478 -5.806 -3.821 1.00 0.00 C ATOM 1289 C ASP A 86 -12.379 -4.873 -4.334 1.00 0.00 C ATOM 1290 O ASP A 86 -11.958 -4.978 -5.485 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.830 -5.187 -4.183 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.987 -4.790 -5.652 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.599 -5.540 -6.561 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.540 -3.643 -5.851 1.00 0.00 O ATOM 0 H ASP A 86 -14.180 -5.729 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.399 -6.793 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.617 -5.896 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.985 -4.303 -3.565 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.945 -3.982 -3.454 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.903 -3.032 -3.804 1.00 0.00 C ATOM 1302 C ARG A 87 -9.615 -3.351 -3.042 1.00 0.00 C ATOM 1303 O ARG A 87 -8.925 -2.447 -2.574 1.00 0.00 O ATOM 1304 CB ARG A 87 -11.334 -1.599 -3.483 1.00 0.00 C ATOM 1305 CG ARG A 87 -11.181 -1.302 -1.990 1.00 0.00 C ATOM 1306 CD ARG A 87 -12.404 -0.557 -1.450 1.00 0.00 C ATOM 1307 NE ARG A 87 -13.457 -1.523 -1.068 1.00 0.00 N ATOM 1308 CZ ARG A 87 -14.574 -1.195 -0.386 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -14.794 0.082 -0.005 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.449 -2.140 -0.097 1.00 0.00 N ATOM 0 H ARG A 87 -12.296 -3.898 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.725 -3.116 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.733 -0.897 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.372 -1.452 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.048 -2.235 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.285 -0.704 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.121 0.045 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.785 0.129 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.331 -2.499 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.113 0.807 -0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.641 0.322 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.276 -3.102 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.298 -1.908 0.418 1.00 0.00 H new ATOM 1323 N SER A 88 -9.331 -4.641 -2.942 1.00 0.00 N ATOM 1324 CA SER A 88 -8.137 -5.092 -2.246 1.00 0.00 C ATOM 1325 C SER A 88 -7.075 -5.529 -3.256 1.00 0.00 C ATOM 1326 O SER A 88 -7.378 -5.734 -4.431 1.00 0.00 O ATOM 1327 CB SER A 88 -8.460 -6.239 -1.286 1.00 0.00 C ATOM 1328 OG SER A 88 -7.286 -6.920 -0.852 1.00 0.00 O ATOM 0 H SER A 88 -9.906 -5.388 -3.331 1.00 0.00 H new ATOM 0 HA SER A 88 -7.749 -4.260 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.993 -5.847 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.128 -6.946 -1.778 1.00 0.00 H new ATOM 0 HG SER A 88 -7.213 -6.857 0.123 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.853 -5.661 -2.762 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.744 -6.070 -3.607 1.00 0.00 C ATOM 1336 C ARG A 89 -3.427 -5.988 -2.833 1.00 0.00 C ATOM 1337 O ARG A 89 -3.174 -5.006 -2.135 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.650 -5.192 -4.856 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.367 -5.485 -5.637 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.342 -4.713 -6.959 1.00 0.00 C ATOM 1341 NE ARG A 89 -4.329 -5.290 -7.900 1.00 0.00 N ATOM 1342 CZ ARG A 89 -4.905 -4.601 -8.909 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -4.595 -3.303 -9.116 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -5.775 -5.215 -9.688 1.00 0.00 N ATOM 0 H ARG A 89 -5.606 -5.492 -1.787 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.924 -7.100 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.516 -5.367 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.673 -4.141 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.500 -5.212 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.293 -6.554 -5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.569 -3.662 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.344 -4.754 -7.395 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.590 -6.269 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.922 -2.836 -8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.034 -2.789 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.004 -6.195 -9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.219 -4.709 -10.454 1.00 0.00 H new ATOM 1357 N LEU A 90 -2.624 -7.030 -2.981 1.00 0.00 N ATOM 1358 CA LEU A 90 -1.339 -7.086 -2.304 1.00 0.00 C ATOM 1359 C LEU A 90 -0.618 -5.748 -2.474 1.00 0.00 C ATOM 1360 O LEU A 90 -0.836 -4.819 -1.699 1.00 0.00 O ATOM 1361 CB LEU A 90 -0.529 -8.289 -2.793 1.00 0.00 C ATOM 1362 CG LEU A 90 0.835 -8.494 -2.129 1.00 0.00 C ATOM 1363 CD1 LEU A 90 0.742 -9.508 -0.987 1.00 0.00 C ATOM 1364 CD2 LEU A 90 1.894 -8.887 -3.161 1.00 0.00 C ATOM 0 H LEU A 90 -2.837 -7.843 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.478 -7.238 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.124 -9.189 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.376 -8.187 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 90 1.148 -7.546 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.724 -9.635 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.039 -9.147 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.396 -10.465 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.853 -9.026 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.600 -9.816 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.984 -8.098 -3.908 1.00 0.00 H new ATOM 1376 N GLY A 91 0.227 -5.693 -3.494 1.00 0.00 N ATOM 1377 CA GLY A 91 0.981 -4.483 -3.777 1.00 0.00 C ATOM 1378 C GLY A 91 2.485 -4.735 -3.654 1.00 0.00 C ATOM 1379 O GLY A 91 3.041 -5.559 -4.378 1.00 0.00 O ATOM 0 H GLY A 91 0.406 -6.467 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.748 -4.132 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.683 -3.694 -3.086 1.00 0.00 H new ATOM 1383 N CYS A 92 3.102 -4.009 -2.733 1.00 0.00 N ATOM 1384 CA CYS A 92 4.531 -4.143 -2.507 1.00 0.00 C ATOM 1385 C CYS A 92 5.242 -4.051 -3.859 1.00 0.00 C ATOM 1386 O CYS A 92 4.597 -3.880 -4.892 1.00 0.00 O ATOM 1387 CB CYS A 92 4.867 -5.443 -1.773 1.00 0.00 C ATOM 1388 SG CYS A 92 4.936 -6.833 -2.962 1.00 0.00 S ATOM 0 H CYS A 92 2.638 -3.326 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 92 4.877 -3.337 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.824 -5.344 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 92 4.116 -5.644 -1.009 1.00 0.00 H new ATOM 0 HG CYS A 92 4.073 -6.633 -3.914 1.00 0.00 H new ATOM 1394 N GLN A 93 6.561 -4.165 -3.807 1.00 0.00 N ATOM 1395 CA GLN A 93 7.365 -4.097 -5.015 1.00 0.00 C ATOM 1396 C GLN A 93 6.695 -3.191 -6.049 1.00 0.00 C ATOM 1397 O GLN A 93 6.676 -3.507 -7.238 1.00 0.00 O ATOM 1398 CB GLN A 93 7.614 -5.493 -5.588 1.00 0.00 C ATOM 1399 CG GLN A 93 6.299 -6.164 -5.988 1.00 0.00 C ATOM 1400 CD GLN A 93 6.444 -7.687 -6.007 1.00 0.00 C ATOM 1401 OE1 GLN A 93 6.203 -8.373 -5.026 1.00 0.00 O ATOM 1402 NE2 GLN A 93 6.851 -8.177 -7.174 1.00 0.00 N ATOM 0 H GLN A 93 7.093 -4.304 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 93 8.334 -3.668 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.269 -5.422 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.129 -6.107 -4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.513 -5.879 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.992 -5.812 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.035 -7.547 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.979 -9.182 -7.288 1.00 0.00 H new ATOM 1411 N ILE A 94 6.160 -2.082 -5.559 1.00 0.00 N ATOM 1412 CA ILE A 94 5.491 -1.127 -6.426 1.00 0.00 C ATOM 1413 C ILE A 94 6.144 0.247 -6.266 1.00 0.00 C ATOM 1414 O ILE A 94 7.189 0.371 -5.631 1.00 0.00 O ATOM 1415 CB ILE A 94 3.984 -1.126 -6.159 1.00 0.00 C ATOM 1416 CG1 ILE A 94 3.203 -0.775 -7.428 1.00 0.00 C ATOM 1417 CG2 ILE A 94 3.634 -0.199 -4.995 1.00 0.00 C ATOM 1418 CD1 ILE A 94 2.137 -1.831 -7.725 1.00 0.00 C ATOM 0 H ILE A 94 6.176 -1.824 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 94 5.607 -1.415 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 94 3.688 -2.134 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.731 0.200 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.889 -0.698 -8.272 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.557 -0.217 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.148 -0.536 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.947 0.818 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.597 -1.558 -8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.615 -2.801 -7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.439 -1.888 -6.890 1.00 0.00 H new ATOM 1430 N CYS A 95 5.500 1.245 -6.854 1.00 0.00 N ATOM 1431 CA CYS A 95 6.005 2.606 -6.785 1.00 0.00 C ATOM 1432 C CYS A 95 4.810 3.559 -6.729 1.00 0.00 C ATOM 1433 O CYS A 95 3.805 3.341 -7.403 1.00 0.00 O ATOM 1434 CB CYS A 95 6.935 2.924 -7.958 1.00 0.00 C ATOM 1435 SG CYS A 95 6.237 2.253 -9.510 1.00 0.00 S ATOM 0 H CYS A 95 4.633 1.138 -7.380 1.00 0.00 H new ATOM 0 HA CYS A 95 6.608 2.728 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.068 4.002 -8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.921 2.495 -7.778 1.00 0.00 H new ATOM 0 HG CYS A 95 7.033 2.531 -10.500 1.00 0.00 H new ATOM 1441 N LEU A 96 4.959 4.597 -5.918 1.00 0.00 N ATOM 1442 CA LEU A 96 3.905 5.585 -5.765 1.00 0.00 C ATOM 1443 C LEU A 96 3.680 6.295 -7.102 1.00 0.00 C ATOM 1444 O LEU A 96 4.448 6.110 -8.044 1.00 0.00 O ATOM 1445 CB LEU A 96 4.225 6.536 -4.610 1.00 0.00 C ATOM 1446 CG LEU A 96 3.775 6.080 -3.221 1.00 0.00 C ATOM 1447 CD1 LEU A 96 4.180 7.096 -2.152 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.272 5.792 -3.198 1.00 0.00 C ATOM 0 H LEU A 96 5.794 4.775 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 96 2.965 5.101 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.303 6.697 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.763 7.500 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 96 4.285 5.146 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.848 6.747 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.264 7.208 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.717 8.058 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.979 5.470 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.724 6.696 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.041 5.005 -3.916 1.00 0.00 H new ATOM 1460 N THR A 97 2.623 7.092 -7.141 1.00 0.00 N ATOM 1461 CA THR A 97 2.287 7.831 -8.346 1.00 0.00 C ATOM 1462 C THR A 97 1.436 9.056 -8.002 1.00 0.00 C ATOM 1463 O THR A 97 1.113 9.284 -6.837 1.00 0.00 O ATOM 1464 CB THR A 97 1.598 6.867 -9.315 1.00 0.00 C ATOM 1465 OG1 THR A 97 0.554 6.283 -8.541 1.00 0.00 O ATOM 1466 CG2 THR A 97 2.489 5.682 -9.693 1.00 0.00 C ATOM 0 H THR A 97 1.988 7.242 -6.357 1.00 0.00 H new ATOM 0 HA THR A 97 3.181 8.221 -8.832 1.00 0.00 H new ATOM 0 HB THR A 97 1.307 7.405 -10.217 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.055 5.646 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.953 5.029 -10.382 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.397 6.048 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.753 5.124 -8.795 1.00 0.00 H new ATOM 1474 N LYS A 98 1.098 9.811 -9.036 1.00 0.00 N ATOM 1475 CA LYS A 98 0.292 11.006 -8.857 1.00 0.00 C ATOM 1476 C LYS A 98 -1.148 10.602 -8.536 1.00 0.00 C ATOM 1477 O LYS A 98 -1.895 11.373 -7.934 1.00 0.00 O ATOM 1478 CB LYS A 98 0.414 11.923 -10.076 1.00 0.00 C ATOM 1479 CG LYS A 98 1.598 12.881 -9.925 1.00 0.00 C ATOM 1480 CD LYS A 98 1.199 14.309 -10.301 1.00 0.00 C ATOM 1481 CE LYS A 98 2.362 15.045 -10.969 1.00 0.00 C ATOM 0 H LYS A 98 1.368 9.619 -10.001 1.00 0.00 H new ATOM 0 HA LYS A 98 0.658 11.587 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.540 11.322 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.506 12.493 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.959 12.859 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.421 12.551 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.343 14.286 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.886 14.850 -9.408 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.497 9.393 -8.951 1.00 0.00 N ATOM 1496 CA ALA A 99 -2.833 8.876 -8.715 1.00 0.00 C ATOM 1497 C ALA A 99 -2.967 8.471 -7.246 1.00 0.00 C ATOM 1498 O ALA A 99 -4.043 8.072 -6.802 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.107 7.711 -9.668 1.00 0.00 C ATOM 0 H ALA A 99 -0.876 8.756 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.581 9.643 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.110 7.324 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.029 8.058 -10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.377 6.920 -9.495 1.00 0.00 H new ATOM 1505 N MET A 100 -1.858 8.587 -6.530 1.00 0.00 N ATOM 1506 CA MET A 100 -1.837 8.238 -5.120 1.00 0.00 C ATOM 1507 C MET A 100 -1.670 9.484 -4.249 1.00 0.00 C ATOM 1508 O MET A 100 -1.353 9.381 -3.064 1.00 0.00 O ATOM 1509 CB MET A 100 -0.684 7.269 -4.850 1.00 0.00 C ATOM 1510 CG MET A 100 -0.815 6.008 -5.709 1.00 0.00 C ATOM 1511 SD MET A 100 -2.361 5.189 -5.358 1.00 0.00 S ATOM 1512 CE MET A 100 -3.039 5.087 -7.007 1.00 0.00 C ATOM 0 H MET A 100 -0.967 8.918 -6.901 1.00 0.00 H new ATOM 0 HA MET A 100 -2.787 7.766 -4.868 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.266 7.760 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.674 6.995 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.765 6.271 -6.766 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.017 5.333 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.921 5.723 -7.078 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.293 5.420 -7.728 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.317 4.055 -7.223 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.891 10.634 -4.868 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.769 11.899 -4.163 1.00 0.00 C ATOM 1524 C ASP A 101 -2.932 12.044 -3.179 1.00 0.00 C ATOM 1525 O ASP A 101 -3.982 12.582 -3.529 1.00 0.00 O ATOM 1526 CB ASP A 101 -1.824 13.079 -5.136 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.117 13.189 -5.948 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -3.547 14.291 -6.317 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -3.696 12.065 -6.204 1.00 0.00 O ATOM 0 H ASP A 101 -2.154 10.717 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.811 11.904 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.687 14.002 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.985 13.000 -5.827 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.706 11.555 -1.970 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.721 11.624 -0.932 1.00 0.00 C ATOM 1537 C ASN A 102 -4.546 10.336 -0.946 1.00 0.00 C ATOM 1538 O ASN A 102 -5.735 10.352 -0.633 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.673 12.797 -1.171 1.00 0.00 C ATOM 1540 CG ASN A 102 -5.877 12.366 -2.011 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -5.822 11.421 -2.781 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -6.964 13.108 -1.822 1.00 0.00 N ATOM 0 H ASN A 102 -1.834 11.109 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.217 11.757 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.015 13.192 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -4.142 13.603 -1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -7.819 12.900 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.942 13.885 -1.162 1.00 0.00 H new ATOM 1549 N MET A 103 -3.882 9.249 -1.314 1.00 0.00 N ATOM 1550 CA MET A 103 -4.539 7.955 -1.372 1.00 0.00 C ATOM 1551 C MET A 103 -4.695 7.354 0.026 1.00 0.00 C ATOM 1552 O MET A 103 -3.888 7.625 0.914 1.00 0.00 O ATOM 1553 CB MET A 103 -3.718 7.005 -2.248 1.00 0.00 C ATOM 1554 CG MET A 103 -2.409 6.616 -1.556 1.00 0.00 C ATOM 1555 SD MET A 103 -2.144 4.857 -1.696 1.00 0.00 S ATOM 1556 CE MET A 103 -0.447 4.842 -2.250 1.00 0.00 C ATOM 0 H MET A 103 -2.896 9.239 -1.575 1.00 0.00 H new ATOM 0 HA MET A 103 -5.532 8.092 -1.800 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.300 6.109 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.501 7.482 -3.204 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.576 7.155 -2.007 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.444 6.904 -0.505 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.003 3.869 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.413 5.029 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.113 5.618 -1.729 1.00 0.00 H new ATOM 1566 N THR A 104 -5.737 6.552 0.178 1.00 0.00 N ATOM 1567 CA THR A 104 -6.010 5.911 1.454 1.00 0.00 C ATOM 1568 C THR A 104 -5.970 4.389 1.305 1.00 0.00 C ATOM 1569 O THR A 104 -6.491 3.843 0.333 1.00 0.00 O ATOM 1570 CB THR A 104 -7.350 6.436 1.971 1.00 0.00 C ATOM 1571 OG1 THR A 104 -7.062 7.767 2.392 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.802 5.730 3.250 1.00 0.00 C ATOM 0 H THR A 104 -6.404 6.330 -0.561 1.00 0.00 H new ATOM 0 HA THR A 104 -5.244 6.155 2.190 1.00 0.00 H new ATOM 0 HB THR A 104 -8.110 6.311 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.878 8.184 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.758 6.141 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.912 4.663 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.058 5.882 4.032 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.348 3.747 2.283 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.234 2.298 2.273 1.00 0.00 C ATOM 1582 C VAL A 105 -5.625 1.751 3.648 1.00 0.00 C ATOM 1583 O VAL A 105 -5.575 2.472 4.643 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.825 1.887 1.844 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.408 2.613 0.563 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.816 2.134 2.967 1.00 0.00 C ATOM 0 H VAL A 105 -4.918 4.203 3.087 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.919 1.865 1.544 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.838 0.817 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.402 2.303 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.104 2.365 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.421 3.689 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.822 1.833 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.808 3.194 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.098 1.551 3.844 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.003 0.481 3.659 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.401 -0.171 4.894 1.00 0.00 C ATOM 1598 C ARG A 106 -5.591 -1.451 5.103 1.00 0.00 C ATOM 1599 O ARG A 106 -5.212 -2.115 4.140 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.892 -0.515 4.879 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.322 -1.147 6.206 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.739 -1.716 6.108 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.067 -2.471 7.338 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.118 -3.310 7.452 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -11.952 -3.510 6.411 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -11.316 -3.934 8.599 1.00 0.00 N ATOM 0 H ARG A 106 -6.042 -0.114 2.831 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.208 0.522 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.475 0.387 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.102 -1.202 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.626 -1.940 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.280 -0.400 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.456 -0.907 5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.818 -2.369 5.239 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.461 -2.350 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.791 -3.025 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.744 -4.146 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.680 -3.778 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.105 -4.572 8.703 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.349 -1.760 6.369 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.591 -2.949 6.717 1.00 0.00 C ATOM 1621 C VAL A 107 -5.544 -4.016 7.262 1.00 0.00 C ATOM 1622 O VAL A 107 -5.995 -3.925 8.402 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.473 -2.589 7.698 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.579 -3.798 7.979 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.651 -1.406 7.182 1.00 0.00 C ATOM 0 H VAL A 107 -5.665 -1.207 7.166 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.108 -3.366 5.833 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.936 -2.290 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.793 -3.514 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.177 -4.600 8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.129 -4.142 7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.863 -1.171 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.204 -1.665 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.300 -0.539 7.058 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.828 -5.027 6.399 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.719 -6.109 6.782 1.00 0.00 C ATOM 1637 C PRO A 108 -6.024 -7.078 7.742 1.00 0.00 C ATOM 1638 O PRO A 108 -5.927 -6.809 8.938 1.00 0.00 O ATOM 1639 CB PRO A 108 -7.129 -6.763 5.473 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.097 -6.325 4.446 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.311 -5.167 5.041 1.00 0.00 C ATOM 0 HA PRO A 108 -7.595 -5.759 7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.149 -7.849 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.131 -6.451 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.431 -7.151 4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.585 -6.020 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.241 -5.375 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.456 -4.253 4.466 1.00 0.00 H new