USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.407 (180deg=-2.16!) USER MOD Single : A 37 THR OG1 : rot 140:sc= -0.657 USER MOD Single : A 40 SER OG : rot 37:sc= 0.0877 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0.0683 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -150:sc= -7.84! (180deg=-11.9!) USER MOD Single : A 50 MET CE :methyl 172:sc= -9.17! (180deg=-9.68!) USER MOD Single : A 55 THR OG1 : rot -24:sc= -2.55! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.69) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.696 USER MOD Single : A 73 ASN : amide:sc= -2.97! C(o=-3!,f=-4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.312 -10.662 0.014 1.00 16.66 N ATOM 86 CA ASP A 7 -1.969 -11.996 -0.062 1.00 16.66 C ATOM 87 C ASP A 7 -2.994 -12.118 1.064 1.00 16.66 C ATOM 88 O ASP A 7 -4.116 -12.539 0.856 1.00 16.66 O ATOM 89 CB ASP A 7 -0.916 -13.096 0.085 1.00 16.66 C ATOM 90 CG ASP A 7 -0.037 -13.132 -1.167 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.390 -12.477 -2.133 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.973 -13.816 -1.138 1.00 50.00 O ATOM 0 HA ASP A 7 -2.468 -12.102 -1.025 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.303 -12.912 0.967 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.401 -14.061 0.230 1.00 16.66 H new ATOM 97 N LYS A 8 -2.617 -11.753 2.256 1.00 16.66 N ATOM 98 CA LYS A 8 -3.564 -11.844 3.400 1.00 16.66 C ATOM 99 C LYS A 8 -4.896 -11.209 3.013 1.00 16.66 C ATOM 100 O LYS A 8 -5.951 -11.674 3.395 1.00 16.66 O ATOM 101 CB LYS A 8 -2.979 -11.106 4.601 1.00 16.66 C ATOM 102 CG LYS A 8 -1.958 -12.007 5.291 1.00 16.66 C ATOM 103 CD LYS A 8 -1.522 -11.365 6.609 1.00 16.66 C ATOM 104 CE LYS A 8 -2.607 -11.579 7.665 1.00 50.00 C ATOM 105 NZ LYS A 8 -2.218 -10.885 8.924 1.00 50.00 N ATOM 0 H LYS A 8 -1.691 -11.394 2.488 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.724 -12.891 3.657 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.505 -10.179 4.279 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.772 -10.833 5.298 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.391 -12.989 5.478 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -1.094 -12.158 4.644 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -0.582 -11.802 6.945 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -1.345 -10.299 6.465 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -3.561 -11.194 7.305 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -2.743 -12.644 7.851 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 -2.956 -11.030 9.643 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 -1.317 -11.272 9.270 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -2.110 -9.867 8.740 1.00 50.00 H new ATOM 119 N ALA A 9 -4.859 -10.152 2.253 1.00 16.66 N ATOM 120 CA ALA A 9 -6.127 -9.496 1.839 1.00 16.66 C ATOM 121 C ALA A 9 -6.972 -10.508 1.075 1.00 16.66 C ATOM 122 O ALA A 9 -8.150 -10.667 1.322 1.00 16.66 O ATOM 123 CB ALA A 9 -5.818 -8.298 0.938 1.00 16.66 C ATOM 0 H ALA A 9 -4.007 -9.715 1.901 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.669 -9.147 2.718 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.750 -7.820 0.636 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.202 -7.582 1.483 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.281 -8.638 0.052 1.00 16.66 H new ATOM 129 N GLU A 10 -6.372 -11.205 0.155 1.00 16.66 N ATOM 130 CA GLU A 10 -7.134 -12.221 -0.621 1.00 16.66 C ATOM 131 C GLU A 10 -7.518 -13.369 0.313 1.00 16.66 C ATOM 132 O GLU A 10 -8.602 -13.908 0.239 1.00 16.66 O ATOM 133 CB GLU A 10 -6.264 -12.756 -1.760 1.00 16.66 C ATOM 134 CG GLU A 10 -5.693 -11.584 -2.560 1.00 16.66 C ATOM 135 CD GLU A 10 -5.106 -12.102 -3.874 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.986 -13.308 -4.012 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.787 -11.283 -4.721 1.00 16.66 O ATOM 0 H GLU A 10 -5.387 -11.116 -0.094 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.032 -11.768 -1.041 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.454 -13.365 -1.358 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.855 -13.401 -2.411 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.475 -10.852 -2.762 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.923 -11.075 -1.981 1.00 16.66 H new ATOM 144 N ARG A 11 -6.634 -13.738 1.196 1.00 16.66 N ATOM 145 CA ARG A 11 -6.941 -14.843 2.143 1.00 16.66 C ATOM 146 C ARG A 11 -8.033 -14.394 3.112 1.00 16.66 C ATOM 147 O ARG A 11 -8.935 -15.137 3.441 1.00 16.66 O ATOM 148 CB ARG A 11 -5.680 -15.198 2.932 1.00 16.66 C ATOM 149 CG ARG A 11 -4.669 -15.868 2.001 1.00 16.66 C ATOM 150 CD ARG A 11 -3.598 -16.573 2.833 1.00 50.00 C ATOM 151 NE ARG A 11 -2.369 -16.744 2.009 1.00 50.00 N ATOM 152 CZ ARG A 11 -2.140 -17.879 1.408 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.270 -18.715 1.905 1.00 50.00 N ATOM 154 NH2 ARG A 11 -2.779 -18.177 0.311 1.00 50.00 N ATOM 0 H ARG A 11 -5.710 -13.320 1.303 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.284 -15.715 1.586 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.247 -14.299 3.370 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.930 -15.866 3.756 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.174 -16.586 1.355 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.208 -15.124 1.351 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.373 -15.990 3.726 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -3.963 -17.544 3.169 1.00 50.00 H new ATOM 0 HE ARG A 11 -1.707 -15.974 1.915 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -0.770 -18.481 2.763 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -1.090 -19.603 1.436 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -3.458 -17.523 -0.077 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -2.600 -19.065 -0.159 1.00 50.00 H new ATOM 168 N GLU A 12 -7.954 -13.176 3.568 1.00 16.66 N ATOM 169 CA GLU A 12 -8.983 -12.664 4.515 1.00 16.66 C ATOM 170 C GLU A 12 -10.334 -12.585 3.807 1.00 16.66 C ATOM 171 O GLU A 12 -11.360 -12.921 4.365 1.00 16.66 O ATOM 172 CB GLU A 12 -8.579 -11.271 5.002 1.00 16.66 C ATOM 173 CG GLU A 12 -7.783 -11.395 6.302 1.00 16.66 C ATOM 174 CD GLU A 12 -7.504 -9.999 6.865 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.147 -9.063 6.421 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.651 -9.892 7.731 1.00 50.00 O ATOM 0 H GLU A 12 -7.220 -12.511 3.325 1.00 16.66 H new ATOM 0 HA GLU A 12 -9.060 -13.339 5.367 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.980 -10.769 4.243 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.467 -10.659 5.164 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -8.341 -11.986 7.028 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.845 -11.919 6.118 1.00 16.66 H new ATOM 183 N ARG A 13 -10.342 -12.148 2.579 1.00 16.66 N ATOM 184 CA ARG A 13 -11.627 -12.052 1.832 1.00 16.66 C ATOM 185 C ARG A 13 -12.160 -13.456 1.560 1.00 16.66 C ATOM 186 O ARG A 13 -13.341 -13.716 1.669 1.00 16.66 O ATOM 187 CB ARG A 13 -11.393 -11.326 0.507 1.00 16.66 C ATOM 188 CG ARG A 13 -10.879 -9.914 0.789 1.00 16.66 C ATOM 189 CD ARG A 13 -10.314 -9.308 -0.497 1.00 16.66 C ATOM 190 NE ARG A 13 -11.434 -8.854 -1.368 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.343 -8.045 -0.896 1.00 50.00 C ATOM 192 NH1 ARG A 13 -12.236 -6.758 -1.093 1.00 50.00 N ATOM 193 NH2 ARG A 13 -13.357 -8.521 -0.229 1.00 50.00 N ATOM 0 H ARG A 13 -9.515 -11.853 2.060 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.354 -11.496 2.424 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.671 -11.874 -0.099 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.320 -11.281 -0.065 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.688 -9.291 1.172 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.108 -9.944 1.559 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.661 -8.468 -0.259 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.707 -10.045 -1.022 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.491 -9.176 -2.334 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -11.443 -6.386 -1.615 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -12.946 -6.125 -0.725 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.440 -9.526 -0.076 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -14.067 -7.888 0.140 1.00 50.00 H new ATOM 207 N ILE A 14 -11.295 -14.367 1.217 1.00 16.66 N ATOM 208 CA ILE A 14 -11.750 -15.758 0.947 1.00 16.66 C ATOM 209 C ILE A 14 -12.150 -16.416 2.267 1.00 16.66 C ATOM 210 O ILE A 14 -13.165 -17.080 2.358 1.00 16.66 O ATOM 211 CB ILE A 14 -10.611 -16.547 0.301 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.157 -15.830 -0.972 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.102 -17.952 -0.054 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.730 -16.258 -1.319 1.00 50.00 C ATOM 0 H ILE A 14 -10.293 -14.209 1.112 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.606 -15.745 0.272 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.776 -16.619 0.998 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.830 -16.069 -1.796 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.199 -14.750 -0.828 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.291 -18.515 -0.515 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.430 -18.463 0.852 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -11.936 -17.880 -0.752 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.407 -15.747 -2.226 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.062 -15.997 -0.498 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.702 -17.336 -1.481 1.00 50.00 H new ATOM 226 N PHE A 15 -11.367 -16.233 3.296 1.00 16.66 N ATOM 227 CA PHE A 15 -11.717 -16.846 4.605 1.00 16.66 C ATOM 228 C PHE A 15 -12.979 -16.178 5.148 1.00 16.66 C ATOM 229 O PHE A 15 -13.821 -16.811 5.752 1.00 16.66 O ATOM 230 CB PHE A 15 -10.570 -16.660 5.600 1.00 16.66 C ATOM 231 CG PHE A 15 -10.941 -17.335 6.900 1.00 16.66 C ATOM 232 CD1 PHE A 15 -11.625 -16.623 7.893 1.00 16.66 C ATOM 233 CD2 PHE A 15 -10.611 -18.680 7.106 1.00 16.66 C ATOM 234 CE1 PHE A 15 -11.980 -17.257 9.092 1.00 16.66 C ATOM 235 CE2 PHE A 15 -10.962 -19.313 8.304 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.647 -18.603 9.297 1.00 16.66 C ATOM 0 H PHE A 15 -10.505 -15.688 3.285 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.892 -17.913 4.467 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.651 -17.088 5.201 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.382 -15.599 5.765 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -11.879 -15.585 7.735 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -10.085 -19.230 6.340 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -12.510 -16.709 9.857 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -10.704 -20.350 8.462 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.919 -19.092 10.221 1.00 16.66 H new ATOM 246 N LYS A 16 -13.120 -14.899 4.929 1.00 16.66 N ATOM 247 CA LYS A 16 -14.332 -14.192 5.424 1.00 16.66 C ATOM 248 C LYS A 16 -15.558 -14.727 4.686 1.00 16.66 C ATOM 249 O LYS A 16 -16.652 -14.750 5.213 1.00 16.66 O ATOM 250 CB LYS A 16 -14.190 -12.691 5.163 1.00 50.00 C ATOM 251 CG LYS A 16 -13.350 -12.057 6.273 1.00 50.00 C ATOM 252 CD LYS A 16 -13.146 -10.571 5.972 1.00 50.00 C ATOM 253 CE LYS A 16 -12.236 -9.955 7.036 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.186 -8.477 6.851 1.00 50.00 N ATOM 0 H LYS A 16 -12.449 -14.315 4.430 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.446 -14.361 6.495 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.719 -12.523 4.195 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.174 -12.223 5.125 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.847 -12.179 7.235 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.386 -12.560 6.346 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.704 -10.447 4.984 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.107 -10.057 5.958 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -12.608 -10.195 8.032 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.233 -10.376 6.960 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.567 -8.057 7.574 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -11.812 -8.258 5.906 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.144 -8.083 6.944 1.00 50.00 H new ATOM 268 N ARG A 17 -15.381 -15.164 3.469 1.00 16.66 N ATOM 269 CA ARG A 17 -16.532 -15.707 2.697 1.00 16.66 C ATOM 270 C ARG A 17 -16.936 -17.058 3.286 1.00 16.66 C ATOM 271 O ARG A 17 -18.101 -17.396 3.354 1.00 16.66 O ATOM 272 CB ARG A 17 -16.127 -15.888 1.233 1.00 16.66 C ATOM 273 CG ARG A 17 -16.129 -14.529 0.533 1.00 16.66 C ATOM 274 CD ARG A 17 -16.252 -14.732 -0.978 1.00 50.00 C ATOM 275 NE ARG A 17 -15.778 -13.508 -1.682 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.814 -13.591 -2.558 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.727 -14.252 -2.271 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.939 -13.013 -3.721 1.00 50.00 N ATOM 0 H ARG A 17 -14.488 -15.168 2.977 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.372 -15.015 2.755 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.137 -16.339 1.171 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.819 -16.567 0.734 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.958 -13.922 0.897 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.211 -13.988 0.764 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.663 -15.595 -1.289 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.288 -14.940 -1.245 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.207 -12.605 -1.480 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.630 -14.704 -1.362 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.974 -14.317 -2.956 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.790 -12.497 -3.945 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.186 -13.077 -4.406 1.00 50.00 H new ATOM 292 N PHE A 18 -15.978 -17.832 3.712 1.00 16.66 N ATOM 293 CA PHE A 18 -16.300 -19.162 4.300 1.00 16.66 C ATOM 294 C PHE A 18 -16.988 -18.969 5.652 1.00 16.66 C ATOM 295 O PHE A 18 -18.016 -19.556 5.925 1.00 16.66 O ATOM 296 CB PHE A 18 -15.009 -19.963 4.487 1.00 16.66 C ATOM 297 CG PHE A 18 -14.575 -20.532 3.157 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.297 -21.579 2.573 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.448 -20.011 2.508 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.894 -22.105 1.340 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.045 -20.538 1.275 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.767 -21.585 0.691 1.00 16.66 C ATOM 0 H PHE A 18 -14.985 -17.601 3.679 1.00 16.66 H new ATOM 0 HA PHE A 18 -16.967 -19.705 3.631 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.226 -19.323 4.894 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.168 -20.768 5.205 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.165 -21.981 3.074 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -12.890 -19.203 2.959 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.452 -22.912 0.889 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.176 -20.136 0.774 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.455 -21.992 -0.260 1.00 16.66 H new ATOM 312 N ASP A 19 -16.434 -18.145 6.497 1.00 16.66 N ATOM 313 CA ASP A 19 -17.068 -17.911 7.825 1.00 16.66 C ATOM 314 C ASP A 19 -18.484 -17.369 7.605 1.00 16.66 C ATOM 315 O ASP A 19 -18.671 -16.221 7.254 1.00 16.66 O ATOM 316 CB ASP A 19 -16.235 -16.900 8.619 1.00 16.66 C ATOM 317 CG ASP A 19 -16.519 -17.076 10.107 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.298 -17.950 10.433 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.947 -16.340 10.894 1.00 16.66 O ATOM 0 H ASP A 19 -15.573 -17.625 6.327 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.117 -18.844 8.387 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.174 -17.048 8.419 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.479 -15.885 8.307 1.00 16.66 H new ATOM 324 N ALA A 20 -19.481 -18.196 7.783 1.00 16.66 N ATOM 325 CA ALA A 20 -20.886 -17.746 7.555 1.00 16.66 C ATOM 326 C ALA A 20 -21.310 -16.698 8.592 1.00 16.66 C ATOM 327 O ALA A 20 -21.812 -15.649 8.244 1.00 16.66 O ATOM 328 CB ALA A 20 -21.822 -18.952 7.652 1.00 50.00 C ATOM 0 H ALA A 20 -19.382 -19.167 8.078 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.945 -17.295 6.565 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.850 -18.629 7.486 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.547 -19.688 6.897 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.737 -19.399 8.642 1.00 50.00 H new ATOM 334 N ASN A 21 -21.132 -16.967 9.860 1.00 16.66 N ATOM 335 CA ASN A 21 -21.555 -15.965 10.881 1.00 16.66 C ATOM 336 C ASN A 21 -20.416 -14.978 11.143 1.00 16.66 C ATOM 337 O ASN A 21 -20.643 -13.830 11.472 1.00 16.66 O ATOM 338 CB ASN A 21 -21.965 -16.674 12.178 1.00 16.66 C ATOM 339 CG ASN A 21 -20.765 -17.371 12.824 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.840 -17.769 12.143 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.774 -17.531 14.118 1.00 16.66 N ATOM 0 H ASN A 21 -20.718 -17.824 10.228 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.416 -15.412 10.505 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.388 -15.950 12.874 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.745 -17.406 11.966 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.994 -17.999 14.580 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.561 -17.189 14.669 1.00 16.66 H new ATOM 348 N GLY A 22 -19.196 -15.405 10.986 1.00 16.66 N ATOM 349 CA GLY A 22 -18.052 -14.476 11.209 1.00 16.66 C ATOM 350 C GLY A 22 -17.566 -14.575 12.657 1.00 16.66 C ATOM 351 O GLY A 22 -17.151 -13.599 13.248 1.00 16.66 O ATOM 0 H GLY A 22 -18.940 -16.354 10.714 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.238 -14.720 10.527 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.357 -13.453 10.989 1.00 16.66 H new ATOM 355 N ASP A 23 -17.597 -15.746 13.230 1.00 16.66 N ATOM 356 CA ASP A 23 -17.115 -15.888 14.633 1.00 16.66 C ATOM 357 C ASP A 23 -15.619 -16.220 14.623 1.00 16.66 C ATOM 358 O ASP A 23 -15.017 -16.451 15.651 1.00 16.66 O ATOM 359 CB ASP A 23 -17.896 -16.989 15.362 1.00 16.66 C ATOM 360 CG ASP A 23 -17.742 -18.326 14.633 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.299 -18.314 13.500 1.00 16.66 O ATOM 362 OD2 ASP A 23 -18.079 -19.338 15.223 1.00 16.66 O ATOM 0 H ASP A 23 -17.932 -16.604 12.792 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.276 -14.949 15.162 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.535 -17.082 16.386 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.950 -16.718 15.419 1.00 16.66 H new ATOM 367 N GLY A 24 -15.012 -16.227 13.463 1.00 16.66 N ATOM 368 CA GLY A 24 -13.553 -16.521 13.382 1.00 16.66 C ATOM 369 C GLY A 24 -13.324 -18.013 13.123 1.00 16.66 C ATOM 370 O GLY A 24 -12.210 -18.447 12.912 1.00 16.66 O ATOM 0 H GLY A 24 -15.466 -16.041 12.569 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.101 -15.933 12.584 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -13.064 -16.227 14.311 1.00 16.66 H new ATOM 374 N LYS A 25 -14.360 -18.805 13.147 1.00 16.66 N ATOM 375 CA LYS A 25 -14.179 -20.265 12.914 1.00 16.66 C ATOM 376 C LYS A 25 -15.175 -20.755 11.861 1.00 16.66 C ATOM 377 O LYS A 25 -16.322 -20.338 11.822 1.00 16.66 O ATOM 378 CB LYS A 25 -14.403 -21.026 14.225 1.00 50.00 C ATOM 379 CG LYS A 25 -15.878 -20.954 14.618 1.00 50.00 C ATOM 380 CD LYS A 25 -16.160 -21.975 15.722 1.00 50.00 C ATOM 381 CE LYS A 25 -17.656 -22.293 15.756 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.072 -22.585 17.157 1.00 50.00 N ATOM 0 H LYS A 25 -15.320 -18.506 13.317 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.165 -20.445 12.557 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.098 -22.066 14.109 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.785 -20.599 15.015 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.125 -19.950 14.964 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.507 -21.156 13.751 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.588 -22.886 15.544 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.840 -21.581 16.686 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -18.226 -21.451 15.364 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.871 -23.149 15.116 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.089 -22.801 17.179 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -17.537 -23.402 17.515 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.881 -21.756 17.756 1.00 50.00 H new ATOM 396 N ILE A 26 -14.744 -21.651 11.015 1.00 16.66 N ATOM 397 CA ILE A 26 -15.649 -22.192 9.964 1.00 16.66 C ATOM 398 C ILE A 26 -15.938 -23.665 10.252 1.00 16.66 C ATOM 399 O ILE A 26 -15.048 -24.439 10.545 1.00 16.66 O ATOM 400 CB ILE A 26 -14.979 -22.064 8.597 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.242 -20.726 8.515 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.044 -22.128 7.500 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.665 -20.552 7.110 1.00 16.66 C ATOM 0 H ILE A 26 -13.798 -22.033 11.008 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.583 -21.630 9.964 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.268 -22.879 8.462 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.924 -19.907 8.744 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.443 -20.692 9.256 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.567 -22.037 6.524 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.570 -23.081 7.559 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.754 -21.312 7.634 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.139 -19.599 7.048 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.970 -21.365 6.899 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.474 -20.568 6.380 1.00 16.66 H new ATOM 415 N SER A 27 -17.176 -24.057 10.165 1.00 16.66 N ATOM 416 CA SER A 27 -17.532 -25.476 10.428 1.00 16.66 C ATOM 417 C SER A 27 -17.864 -26.156 9.103 1.00 16.66 C ATOM 418 O SER A 27 -18.038 -25.506 8.091 1.00 16.66 O ATOM 419 CB SER A 27 -18.752 -25.535 11.349 1.00 50.00 C ATOM 420 OG SER A 27 -19.934 -25.373 10.578 1.00 50.00 O ATOM 0 H SER A 27 -17.961 -23.452 9.922 1.00 16.66 H new ATOM 0 HA SER A 27 -16.695 -25.984 10.907 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.777 -26.488 11.877 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.688 -24.753 12.106 1.00 50.00 H new ATOM 0 HG SER A 27 -20.717 -25.412 11.167 1.00 50.00 H new ATOM 426 N ALA A 28 -17.959 -27.454 9.092 1.00 16.66 N ATOM 427 CA ALA A 28 -18.284 -28.151 7.821 1.00 16.66 C ATOM 428 C ALA A 28 -19.514 -27.497 7.199 1.00 16.66 C ATOM 429 O ALA A 28 -19.554 -27.224 6.017 1.00 16.66 O ATOM 430 CB ALA A 28 -18.571 -29.629 8.101 1.00 50.00 C ATOM 0 H ALA A 28 -17.827 -28.059 9.903 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.441 -28.078 7.134 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.809 -30.137 7.166 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.693 -30.091 8.552 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.416 -29.712 8.785 1.00 50.00 H new ATOM 436 N ALA A 29 -20.520 -27.244 7.987 1.00 16.66 N ATOM 437 CA ALA A 29 -21.748 -26.605 7.442 1.00 16.66 C ATOM 438 C ALA A 29 -21.386 -25.269 6.793 1.00 16.66 C ATOM 439 O ALA A 29 -21.912 -24.909 5.759 1.00 16.66 O ATOM 440 CB ALA A 29 -22.747 -26.367 8.577 1.00 50.00 C ATOM 0 H ALA A 29 -20.545 -27.452 8.985 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.196 -27.261 6.695 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.647 -25.899 8.178 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.008 -27.320 9.038 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.299 -25.713 9.325 1.00 50.00 H new ATOM 446 N GLU A 30 -20.493 -24.530 7.390 1.00 16.66 N ATOM 447 CA GLU A 30 -20.104 -23.222 6.800 1.00 16.66 C ATOM 448 C GLU A 30 -19.203 -23.458 5.591 1.00 16.66 C ATOM 449 O GLU A 30 -19.467 -22.980 4.506 1.00 16.66 O ATOM 450 CB GLU A 30 -19.362 -22.387 7.847 1.00 16.66 C ATOM 451 CG GLU A 30 -20.318 -22.042 8.992 1.00 16.66 C ATOM 452 CD GLU A 30 -19.599 -21.149 10.008 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.581 -21.564 10.514 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.082 -20.067 10.265 1.00 16.66 O ATOM 0 H GLU A 30 -20.018 -24.775 8.258 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.998 -22.685 6.483 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.504 -22.941 8.229 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.976 -21.474 7.393 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.199 -21.532 8.603 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.666 -22.954 9.476 1.00 16.66 H new ATOM 461 N LEU A 31 -18.143 -24.195 5.764 1.00 16.66 N ATOM 462 CA LEU A 31 -17.234 -24.460 4.615 1.00 16.66 C ATOM 463 C LEU A 31 -18.004 -25.224 3.541 1.00 16.66 C ATOM 464 O LEU A 31 -17.893 -24.945 2.364 1.00 16.66 O ATOM 465 CB LEU A 31 -16.043 -25.298 5.086 1.00 16.66 C ATOM 466 CG LEU A 31 -15.245 -25.778 3.872 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.542 -24.587 3.219 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.201 -26.803 4.320 1.00 16.66 C ATOM 0 H LEU A 31 -17.867 -24.624 6.647 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.869 -23.517 4.208 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.405 -24.706 5.743 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.392 -26.152 5.666 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.922 -26.239 3.153 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.974 -24.929 2.354 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.285 -23.857 2.899 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.865 -24.125 3.938 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.632 -27.145 3.455 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.525 -26.342 5.040 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.701 -27.653 4.784 1.00 16.66 H new ATOM 480 N GLY A 32 -18.791 -26.182 3.941 1.00 16.66 N ATOM 481 CA GLY A 32 -19.578 -26.960 2.947 1.00 16.66 C ATOM 482 C GLY A 32 -20.576 -26.030 2.261 1.00 16.66 C ATOM 483 O GLY A 32 -20.732 -26.050 1.056 1.00 16.66 O ATOM 0 H GLY A 32 -18.923 -26.460 4.914 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.913 -27.408 2.209 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.104 -27.777 3.440 1.00 16.66 H new ATOM 487 N GLU A 33 -21.256 -25.216 3.019 1.00 16.66 N ATOM 488 CA GLU A 33 -22.247 -24.287 2.411 1.00 16.66 C ATOM 489 C GLU A 33 -21.552 -23.403 1.380 1.00 16.66 C ATOM 490 O GLU A 33 -22.060 -23.180 0.299 1.00 16.66 O ATOM 491 CB GLU A 33 -22.863 -23.413 3.503 1.00 50.00 C ATOM 492 CG GLU A 33 -24.147 -24.069 4.018 1.00 50.00 C ATOM 493 CD GLU A 33 -24.906 -23.079 4.902 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.493 -21.932 4.964 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.888 -23.482 5.504 1.00 50.00 O ATOM 0 H GLU A 33 -21.168 -25.154 4.033 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.032 -24.863 1.922 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.155 -23.282 4.322 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.082 -22.420 3.109 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.772 -24.378 3.180 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.906 -24.969 4.585 1.00 50.00 H new ATOM 502 N ALA A 34 -20.390 -22.908 1.694 1.00 16.66 N ATOM 503 CA ALA A 34 -19.670 -22.053 0.715 1.00 16.66 C ATOM 504 C ALA A 34 -19.123 -22.946 -0.394 1.00 16.66 C ATOM 505 O ALA A 34 -19.151 -22.603 -1.559 1.00 16.66 O ATOM 506 CB ALA A 34 -18.514 -21.332 1.413 1.00 50.00 C ATOM 0 H ALA A 34 -19.910 -23.057 2.581 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.348 -21.309 0.297 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.988 -20.706 0.693 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.906 -20.709 2.217 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.824 -22.067 1.827 1.00 50.00 H new ATOM 512 N LEU A 35 -18.628 -24.096 -0.033 1.00 99.99 N ATOM 513 CA LEU A 35 -18.076 -25.026 -1.054 1.00 99.99 C ATOM 514 C LEU A 35 -19.180 -25.431 -2.032 1.00 99.99 C ATOM 515 O LEU A 35 -18.930 -25.662 -3.198 1.00 99.99 O ATOM 516 CB LEU A 35 -17.528 -26.274 -0.360 1.00 99.99 C ATOM 517 CG LEU A 35 -16.041 -26.078 -0.057 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.473 -27.363 0.549 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.295 -25.751 -1.352 1.00 99.99 C ATOM 0 H LEU A 35 -18.582 -24.432 0.929 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.274 -24.529 -1.600 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.077 -26.460 0.563 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.668 -27.148 -0.996 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.918 -25.257 0.649 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.414 -27.226 0.766 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.005 -27.596 1.471 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.595 -28.184 -0.158 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.236 -25.611 -1.136 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.416 -26.572 -2.059 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.701 -24.837 -1.785 1.00 99.99 H new ATOM 531 N LYS A 36 -20.398 -25.526 -1.571 1.00 99.99 N ATOM 532 CA LYS A 36 -21.506 -25.921 -2.486 1.00 99.99 C ATOM 533 C LYS A 36 -21.416 -25.113 -3.781 1.00 99.99 C ATOM 534 O LYS A 36 -21.893 -25.528 -4.818 1.00 99.99 O ATOM 535 CB LYS A 36 -22.851 -25.652 -1.809 1.00 99.99 C ATOM 536 CG LYS A 36 -23.554 -26.981 -1.525 1.00 99.99 C ATOM 537 CD LYS A 36 -24.857 -26.719 -0.768 1.00 99.99 C ATOM 538 CE LYS A 36 -24.785 -27.376 0.613 1.00 99.99 C ATOM 539 NZ LYS A 36 -24.293 -28.775 0.472 1.00 99.99 N ATOM 0 H LYS A 36 -20.672 -25.348 -0.605 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.422 -26.983 -2.716 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.699 -25.103 -0.880 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.474 -25.028 -2.450 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.763 -27.501 -2.460 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.904 -27.630 -0.938 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.021 -25.646 -0.664 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.702 -27.118 -1.329 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.119 -26.809 1.263 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.769 -27.371 1.082 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -24.761 -29.380 1.176 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -24.509 -29.124 -0.484 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -23.265 -28.798 0.625 1.00 99.99 H new ATOM 553 N THR A 37 -20.807 -23.959 -3.730 1.00 99.99 N ATOM 554 CA THR A 37 -20.688 -23.127 -4.959 1.00 99.99 C ATOM 555 C THR A 37 -20.101 -23.974 -6.086 1.00 99.99 C ATOM 556 O THR A 37 -20.260 -23.672 -7.253 1.00 99.99 O ATOM 557 CB THR A 37 -19.767 -21.937 -4.679 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.865 -21.003 -5.745 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.323 -22.425 -4.557 1.00 99.99 C ATOM 0 H THR A 37 -20.388 -23.558 -2.891 1.00 99.99 H new ATOM 0 HA THR A 37 -21.672 -22.762 -5.253 1.00 99.99 H new ATOM 0 HB THR A 37 -20.066 -21.457 -3.747 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.863 -20.092 -5.383 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.668 -21.577 -4.358 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.249 -23.141 -3.739 1.00 99.99 H new ATOM 0 HG23 THR A 37 -18.021 -22.905 -5.488 1.00 99.99 H new ATOM 567 N LEU A 38 -19.426 -25.036 -5.746 1.00 16.66 N ATOM 568 CA LEU A 38 -18.830 -25.907 -6.796 1.00 16.66 C ATOM 569 C LEU A 38 -19.950 -26.576 -7.593 1.00 16.66 C ATOM 570 O LEU A 38 -19.802 -26.878 -8.760 1.00 16.66 O ATOM 571 CB LEU A 38 -17.960 -26.979 -6.136 1.00 50.00 C ATOM 572 CG LEU A 38 -16.729 -26.321 -5.511 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.735 -27.401 -5.080 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.069 -25.398 -6.538 1.00 50.00 C ATOM 0 H LEU A 38 -19.261 -25.338 -4.786 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.216 -25.305 -7.466 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.531 -27.507 -5.372 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.654 -27.720 -6.874 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.030 -25.739 -4.640 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.858 -26.931 -4.635 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.206 -28.058 -4.348 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.432 -27.984 -5.949 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.191 -24.928 -6.094 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.768 -25.980 -7.409 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.777 -24.628 -6.843 1.00 50.00 H new ATOM 586 N GLY A 39 -21.073 -26.808 -6.971 1.00 16.66 N ATOM 587 CA GLY A 39 -22.206 -27.456 -7.690 1.00 16.66 C ATOM 588 C GLY A 39 -21.832 -28.896 -8.044 1.00 16.66 C ATOM 589 O GLY A 39 -22.535 -29.568 -8.773 1.00 16.66 O ATOM 0 H GLY A 39 -21.255 -26.576 -5.994 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.100 -27.445 -7.066 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.442 -26.898 -8.596 1.00 16.66 H new ATOM 593 N SER A 40 -20.730 -29.376 -7.537 1.00 16.66 N ATOM 594 CA SER A 40 -20.316 -30.772 -7.848 1.00 16.66 C ATOM 595 C SER A 40 -19.444 -31.313 -6.715 1.00 16.66 C ATOM 596 O SER A 40 -18.299 -31.668 -6.915 1.00 16.66 O ATOM 597 CB SER A 40 -19.520 -30.784 -9.154 1.00 16.66 C ATOM 598 OG SER A 40 -20.359 -31.215 -10.216 1.00 16.66 O ATOM 0 H SER A 40 -20.099 -28.862 -6.922 1.00 16.66 H new ATOM 0 HA SER A 40 -21.201 -31.399 -7.953 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.132 -29.788 -9.365 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.661 -31.448 -9.063 1.00 16.66 H new ATOM 0 HG SER A 40 -21.263 -30.860 -10.083 1.00 16.66 H new ATOM 604 N ILE A 41 -19.974 -31.381 -5.523 1.00 16.66 N ATOM 605 CA ILE A 41 -19.170 -31.902 -4.383 1.00 16.66 C ATOM 606 C ILE A 41 -20.101 -32.558 -3.357 1.00 16.66 C ATOM 607 O ILE A 41 -21.309 -32.493 -3.468 1.00 16.66 O ATOM 608 CB ILE A 41 -18.402 -30.745 -3.727 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.248 -31.306 -2.894 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.339 -29.940 -2.821 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.205 -30.210 -2.665 1.00 16.66 C ATOM 0 H ILE A 41 -20.926 -31.099 -5.291 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.459 -32.644 -4.747 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.009 -30.092 -4.506 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.621 -31.674 -1.938 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.794 -32.154 -3.407 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.785 -29.122 -2.360 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.159 -29.535 -3.414 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.740 -30.590 -2.043 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.382 -30.609 -2.071 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.825 -29.863 -3.626 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.664 -29.376 -2.134 1.00 16.66 H new ATOM 623 N THR A 42 -19.544 -33.185 -2.358 1.00 16.66 N ATOM 624 CA THR A 42 -20.391 -33.842 -1.322 1.00 16.66 C ATOM 625 C THR A 42 -20.020 -33.276 0.044 1.00 16.66 C ATOM 626 O THR A 42 -18.968 -32.693 0.217 1.00 16.66 O ATOM 627 CB THR A 42 -20.149 -35.365 -1.318 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.448 -35.734 -0.137 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.325 -35.776 -2.540 1.00 16.66 C ATOM 0 H THR A 42 -18.538 -33.271 -2.214 1.00 16.66 H new ATOM 0 HA THR A 42 -21.441 -33.652 -1.543 1.00 16.66 H new ATOM 0 HB THR A 42 -21.113 -35.872 -1.350 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.021 -36.606 -0.269 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.162 -36.854 -2.523 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.862 -35.504 -3.449 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.363 -35.264 -2.519 1.00 16.66 H new ATOM 637 N PRO A 43 -20.888 -33.473 1.039 1.00 16.66 N ATOM 638 CA PRO A 43 -20.632 -33.001 2.396 1.00 16.66 C ATOM 639 C PRO A 43 -19.492 -33.801 3.021 1.00 16.66 C ATOM 640 O PRO A 43 -18.727 -33.300 3.822 1.00 16.66 O ATOM 641 CB PRO A 43 -21.946 -33.277 3.130 1.00 50.00 C ATOM 642 CG PRO A 43 -22.575 -34.388 2.359 1.00 50.00 C ATOM 643 CD PRO A 43 -22.182 -34.170 0.924 1.00 50.00 C ATOM 0 HA PRO A 43 -20.339 -31.952 2.438 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.769 -33.563 4.167 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.585 -32.394 3.147 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.227 -35.357 2.716 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.659 -34.377 2.473 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.087 -35.112 0.384 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.918 -33.569 0.390 1.00 50.00 H new ATOM 651 N ASP A 44 -19.382 -35.049 2.658 1.00 16.66 N ATOM 652 CA ASP A 44 -18.304 -35.905 3.222 1.00 16.66 C ATOM 653 C ASP A 44 -16.940 -35.434 2.713 1.00 16.66 C ATOM 654 O ASP A 44 -15.922 -35.695 3.323 1.00 16.66 O ATOM 655 CB ASP A 44 -18.531 -37.356 2.793 1.00 50.00 C ATOM 656 CG ASP A 44 -19.789 -37.900 3.475 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.216 -37.300 4.449 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.304 -38.904 3.012 1.00 50.00 O ATOM 0 H ASP A 44 -19.997 -35.514 1.991 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.324 -35.834 4.309 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.638 -37.413 1.710 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.667 -37.965 3.061 1.00 50.00 H new ATOM 663 N GLU A 45 -16.901 -34.738 1.608 1.00 16.66 N ATOM 664 CA GLU A 45 -15.593 -34.257 1.090 1.00 16.66 C ATOM 665 C GLU A 45 -15.196 -33.009 1.867 1.00 16.66 C ATOM 666 O GLU A 45 -14.041 -32.789 2.171 1.00 16.66 O ATOM 667 CB GLU A 45 -15.723 -33.918 -0.397 1.00 16.66 C ATOM 668 CG GLU A 45 -15.998 -35.196 -1.191 1.00 16.66 C ATOM 669 CD GLU A 45 -14.779 -36.118 -1.109 1.00 16.66 C ATOM 670 OE1 GLU A 45 -13.766 -35.683 -0.588 1.00 16.66 O ATOM 671 OE2 GLU A 45 -14.881 -37.243 -1.569 1.00 16.66 O ATOM 0 H GLU A 45 -17.714 -34.484 1.047 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.834 -35.030 1.212 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.531 -33.203 -0.548 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.808 -33.445 -0.754 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -16.878 -35.702 -0.793 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.214 -34.952 -2.231 1.00 16.66 H new ATOM 678 N VAL A 46 -16.157 -32.194 2.199 1.00 16.66 N ATOM 679 CA VAL A 46 -15.851 -30.960 2.968 1.00 16.66 C ATOM 680 C VAL A 46 -15.414 -31.350 4.380 1.00 16.66 C ATOM 681 O VAL A 46 -14.544 -30.738 4.966 1.00 16.66 O ATOM 682 CB VAL A 46 -17.099 -30.081 3.043 1.00 50.00 C ATOM 683 CG1 VAL A 46 -16.862 -28.939 4.033 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.392 -29.504 1.659 1.00 50.00 C ATOM 0 H VAL A 46 -17.142 -32.330 1.970 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.052 -30.406 2.474 1.00 16.66 H new ATOM 0 HB VAL A 46 -17.947 -30.678 3.378 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -17.752 -28.313 4.086 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.649 -29.351 5.019 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.015 -28.339 3.700 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.282 -28.876 1.707 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.543 -28.906 1.327 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.560 -30.318 0.954 1.00 50.00 H new ATOM 694 N LYS A 47 -16.011 -32.374 4.923 1.00 16.66 N ATOM 695 CA LYS A 47 -15.628 -32.818 6.291 1.00 16.66 C ATOM 696 C LYS A 47 -14.184 -33.313 6.264 1.00 16.66 C ATOM 697 O LYS A 47 -13.410 -33.060 7.165 1.00 16.66 O ATOM 698 CB LYS A 47 -16.553 -33.951 6.741 1.00 16.66 C ATOM 699 CG LYS A 47 -16.089 -34.477 8.101 1.00 16.66 C ATOM 700 CD LYS A 47 -16.971 -35.655 8.521 1.00 16.66 C ATOM 701 CE LYS A 47 -16.606 -36.886 7.689 1.00 50.00 C ATOM 702 NZ LYS A 47 -16.353 -38.041 8.595 1.00 50.00 N ATOM 0 H LYS A 47 -16.747 -32.922 4.478 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.719 -31.986 6.989 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -17.580 -33.592 6.809 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.545 -34.756 6.006 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -15.047 -34.791 8.045 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -16.143 -33.684 8.847 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -16.834 -35.866 9.582 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.022 -35.405 8.379 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -17.414 -37.123 6.997 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -15.721 -36.682 7.087 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -16.105 -38.878 8.030 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -15.568 -37.812 9.238 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -17.209 -38.240 9.151 1.00 50.00 H new ATOM 716 N HIS A 48 -13.815 -34.011 5.227 1.00 16.66 N ATOM 717 CA HIS A 48 -12.420 -34.521 5.128 1.00 16.66 C ATOM 718 C HIS A 48 -11.461 -33.336 5.006 1.00 16.66 C ATOM 719 O HIS A 48 -10.423 -33.297 5.638 1.00 16.66 O ATOM 720 CB HIS A 48 -12.288 -35.413 3.892 1.00 16.66 C ATOM 721 CG HIS A 48 -10.869 -35.893 3.769 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.201 -35.924 2.556 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.977 -36.366 4.701 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.963 -36.400 2.786 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.774 -36.685 4.078 1.00 50.00 N ATOM 0 H HIS A 48 -14.421 -34.251 4.442 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.177 -35.101 6.019 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.965 -36.263 3.970 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.574 -34.859 2.998 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.179 -36.474 5.756 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.214 -36.535 2.020 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.930 -37.056 4.514 1.00 50.00 H new ATOM 733 N MET A 49 -11.800 -32.364 4.202 1.00 16.66 N ATOM 734 CA MET A 49 -10.913 -31.184 4.047 1.00 16.66 C ATOM 735 C MET A 49 -10.732 -30.518 5.409 1.00 16.66 C ATOM 736 O MET A 49 -9.643 -30.135 5.789 1.00 16.66 O ATOM 737 CB MET A 49 -11.553 -30.196 3.076 1.00 16.66 C ATOM 738 CG MET A 49 -11.385 -30.706 1.643 1.00 16.66 C ATOM 739 SD MET A 49 -11.887 -29.414 0.481 1.00 16.66 S ATOM 740 CE MET A 49 -13.674 -29.665 0.620 1.00 16.66 C ATOM 0 H MET A 49 -12.655 -32.340 3.647 1.00 16.66 H new ATOM 0 HA MET A 49 -9.943 -31.496 3.658 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.611 -30.075 3.308 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.090 -29.215 3.181 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.347 -30.987 1.465 1.00 16.66 H new ATOM 0 HG3 MET A 49 -11.988 -31.601 1.491 1.00 16.66 H new ATOM 0 HE1 MET A 49 -14.153 -29.399 -0.322 1.00 16.66 H new ATOM 0 HE2 MET A 49 -13.878 -30.711 0.848 1.00 16.66 H new ATOM 0 HE3 MET A 49 -14.069 -29.036 1.418 1.00 16.66 H new ATOM 750 N MET A 50 -11.796 -30.383 6.147 1.00 16.66 N ATOM 751 CA MET A 50 -11.696 -29.750 7.487 1.00 16.66 C ATOM 752 C MET A 50 -10.769 -30.587 8.366 1.00 16.66 C ATOM 753 O MET A 50 -9.883 -30.076 9.016 1.00 16.66 O ATOM 754 CB MET A 50 -13.086 -29.684 8.121 1.00 16.66 C ATOM 755 CG MET A 50 -13.775 -28.384 7.700 1.00 16.66 C ATOM 756 SD MET A 50 -15.213 -28.094 8.758 1.00 16.66 S ATOM 757 CE MET A 50 -14.317 -27.408 10.172 1.00 50.00 C ATOM 0 H MET A 50 -12.733 -30.685 5.878 1.00 16.66 H new ATOM 0 HA MET A 50 -11.296 -28.741 7.392 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.681 -30.542 7.809 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.005 -29.731 9.207 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.079 -27.549 7.778 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.084 -28.445 6.657 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.029 -27.023 10.902 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.712 -28.189 10.633 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.669 -26.599 9.835 1.00 50.00 H new ATOM 767 N ALA A 51 -10.963 -31.873 8.381 1.00 16.66 N ATOM 768 CA ALA A 51 -10.090 -32.751 9.209 1.00 16.66 C ATOM 769 C ALA A 51 -8.634 -32.560 8.778 1.00 16.66 C ATOM 770 O ALA A 51 -7.714 -32.823 9.527 1.00 16.66 O ATOM 771 CB ALA A 51 -10.495 -34.213 9.006 1.00 50.00 C ATOM 0 H ALA A 51 -11.690 -32.357 7.855 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.199 -32.490 10.262 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.856 -34.855 9.612 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.534 -34.348 9.306 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.384 -34.479 7.955 1.00 50.00 H new ATOM 777 N GLU A 52 -8.422 -32.098 7.576 1.00 16.66 N ATOM 778 CA GLU A 52 -7.028 -31.882 7.096 1.00 16.66 C ATOM 779 C GLU A 52 -6.631 -30.430 7.362 1.00 16.66 C ATOM 780 O GLU A 52 -5.500 -30.132 7.691 1.00 16.66 O ATOM 781 CB GLU A 52 -6.954 -32.165 5.593 1.00 16.66 C ATOM 782 CG GLU A 52 -6.799 -33.670 5.363 1.00 16.66 C ATOM 783 CD GLU A 52 -6.296 -33.919 3.940 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.271 -32.975 3.167 1.00 16.66 O ATOM 785 OE2 GLU A 52 -5.945 -35.051 3.648 1.00 16.66 O ATOM 0 H GLU A 52 -9.154 -31.861 6.906 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.349 -32.553 7.621 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.855 -31.802 5.099 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.112 -31.631 5.153 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.099 -34.089 6.086 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.754 -34.172 5.516 1.00 16.66 H new ATOM 792 N ILE A 53 -7.562 -29.530 7.229 1.00 16.66 N ATOM 793 CA ILE A 53 -7.263 -28.094 7.477 1.00 16.66 C ATOM 794 C ILE A 53 -7.302 -27.816 8.979 1.00 16.66 C ATOM 795 O ILE A 53 -6.612 -26.950 9.481 1.00 16.66 O ATOM 796 CB ILE A 53 -8.322 -27.250 6.779 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.255 -27.502 5.275 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.064 -25.774 7.074 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.376 -26.733 4.578 1.00 50.00 C ATOM 0 H ILE A 53 -8.525 -29.729 6.957 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.273 -27.848 7.092 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.313 -27.520 7.144 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.287 -27.187 4.886 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.349 -28.568 5.070 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.820 -25.166 6.576 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.112 -25.604 8.150 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.076 -25.497 6.707 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.328 -26.913 3.504 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.340 -27.070 4.959 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.261 -25.667 4.772 1.00 50.00 H new ATOM 811 N ASP A 54 -8.106 -28.545 9.699 1.00 16.66 N ATOM 812 CA ASP A 54 -8.205 -28.341 11.169 1.00 16.66 C ATOM 813 C ASP A 54 -6.845 -28.637 11.809 1.00 16.66 C ATOM 814 O ASP A 54 -6.468 -29.778 11.991 1.00 16.66 O ATOM 815 CB ASP A 54 -9.264 -29.304 11.711 1.00 16.66 C ATOM 816 CG ASP A 54 -9.865 -28.755 13.007 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.493 -27.663 13.393 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.696 -29.435 13.584 1.00 16.66 O ATOM 0 H ASP A 54 -8.705 -29.282 9.327 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.486 -27.314 11.401 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.050 -29.447 10.969 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.817 -30.281 11.894 1.00 16.66 H new ATOM 823 N THR A 55 -6.099 -27.615 12.135 1.00 16.66 N ATOM 824 CA THR A 55 -4.753 -27.830 12.743 1.00 16.66 C ATOM 825 C THR A 55 -4.886 -28.342 14.179 1.00 16.66 C ATOM 826 O THR A 55 -4.238 -29.293 14.568 1.00 16.66 O ATOM 827 CB THR A 55 -3.982 -26.508 12.750 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.713 -25.540 13.489 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.788 -26.019 11.314 1.00 50.00 C ATOM 0 H THR A 55 -6.364 -26.639 12.006 1.00 16.66 H new ATOM 0 HA THR A 55 -4.218 -28.573 12.152 1.00 16.66 H new ATOM 0 HB THR A 55 -3.007 -26.658 13.213 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.663 -25.782 13.496 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.239 -25.078 11.321 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.226 -26.763 10.749 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.761 -25.868 10.847 1.00 50.00 H new ATOM 837 N ASP A 56 -5.708 -27.718 14.972 1.00 16.66 N ATOM 838 CA ASP A 56 -5.862 -28.174 16.384 1.00 16.66 C ATOM 839 C ASP A 56 -6.905 -29.293 16.455 1.00 16.66 C ATOM 840 O ASP A 56 -6.791 -30.211 17.243 1.00 16.66 O ATOM 841 CB ASP A 56 -6.285 -26.994 17.264 1.00 16.66 C ATOM 842 CG ASP A 56 -7.776 -26.712 17.082 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.196 -26.551 15.949 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.471 -26.661 18.081 1.00 16.66 O ATOM 0 H ASP A 56 -6.279 -26.915 14.708 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.909 -28.559 16.747 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.074 -27.216 18.310 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.705 -26.109 17.003 1.00 16.66 H new ATOM 849 N GLY A 57 -7.908 -29.237 15.625 1.00 16.66 N ATOM 850 CA GLY A 57 -8.939 -30.314 15.631 1.00 16.66 C ATOM 851 C GLY A 57 -10.162 -29.901 16.458 1.00 16.66 C ATOM 852 O GLY A 57 -10.865 -30.740 16.987 1.00 16.66 O ATOM 0 H GLY A 57 -8.059 -28.494 14.943 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.245 -30.535 14.608 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.511 -31.229 16.040 1.00 16.66 H new ATOM 856 N ASP A 58 -10.440 -28.630 16.571 1.00 16.66 N ATOM 857 CA ASP A 58 -11.637 -28.214 17.361 1.00 16.66 C ATOM 858 C ASP A 58 -12.891 -28.370 16.497 1.00 16.66 C ATOM 859 O ASP A 58 -13.997 -28.141 16.945 1.00 16.66 O ATOM 860 CB ASP A 58 -11.497 -26.756 17.808 1.00 50.00 C ATOM 861 CG ASP A 58 -11.644 -25.830 16.602 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.060 -26.131 15.577 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.339 -24.835 16.725 1.00 50.00 O ATOM 0 H ASP A 58 -9.899 -27.870 16.157 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.719 -28.845 18.246 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.256 -26.520 18.554 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.527 -26.602 18.280 1.00 50.00 H new ATOM 868 N GLY A 59 -12.729 -28.767 15.262 1.00 16.66 N ATOM 869 CA GLY A 59 -13.914 -28.947 14.375 1.00 16.66 C ATOM 870 C GLY A 59 -14.100 -27.710 13.492 1.00 16.66 C ATOM 871 O GLY A 59 -14.970 -27.671 12.646 1.00 16.66 O ATOM 0 H GLY A 59 -11.828 -28.974 14.830 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.781 -29.832 13.752 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.808 -29.112 14.977 1.00 16.66 H new ATOM 875 N PHE A 60 -13.302 -26.696 13.684 1.00 16.66 N ATOM 876 CA PHE A 60 -13.460 -25.470 12.852 1.00 16.66 C ATOM 877 C PHE A 60 -12.105 -24.970 12.343 1.00 16.66 C ATOM 878 O PHE A 60 -11.054 -25.219 12.926 1.00 16.66 O ATOM 879 CB PHE A 60 -14.110 -24.365 13.682 1.00 50.00 C ATOM 880 CG PHE A 60 -15.339 -24.898 14.370 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.560 -24.930 13.689 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.260 -25.355 15.690 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.704 -25.422 14.327 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.403 -25.846 16.329 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.625 -25.880 15.648 1.00 50.00 C ATOM 0 H PHE A 60 -12.553 -26.663 14.375 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.088 -25.722 11.997 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.403 -23.989 14.421 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.377 -23.525 13.040 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.620 -24.575 12.671 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.317 -25.329 16.215 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.647 -25.449 13.801 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.343 -26.199 17.348 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.508 -26.260 16.141 1.00 50.00 H new ATOM 895 N ILE A 61 -12.130 -24.242 11.261 1.00 16.66 N ATOM 896 CA ILE A 61 -10.877 -23.689 10.701 1.00 16.66 C ATOM 897 C ILE A 61 -10.847 -22.186 10.981 1.00 16.66 C ATOM 898 O ILE A 61 -11.788 -21.474 10.692 1.00 16.66 O ATOM 899 CB ILE A 61 -10.843 -23.931 9.191 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.118 -25.411 8.903 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.466 -23.548 8.645 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.132 -26.282 9.687 1.00 16.66 C ATOM 0 H ILE A 61 -12.975 -24.008 10.740 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.013 -24.173 11.158 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.607 -23.322 8.707 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.141 -25.662 9.183 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.022 -25.607 7.835 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.441 -23.720 7.569 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.274 -22.495 8.849 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.701 -24.156 9.128 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.331 -27.333 9.480 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.113 -26.039 9.386 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.250 -26.094 10.754 1.00 16.66 H new ATOM 914 N SER A 62 -9.778 -21.694 11.538 1.00 16.66 N ATOM 915 CA SER A 62 -9.694 -20.240 11.829 1.00 16.66 C ATOM 916 C SER A 62 -8.951 -19.552 10.689 1.00 16.66 C ATOM 917 O SER A 62 -8.372 -20.197 9.837 1.00 16.66 O ATOM 918 CB SER A 62 -8.937 -20.023 13.141 1.00 16.66 C ATOM 919 OG SER A 62 -9.602 -20.709 14.190 1.00 16.66 O ATOM 0 H SER A 62 -8.958 -22.238 11.804 1.00 16.66 H new ATOM 0 HA SER A 62 -10.696 -19.822 11.922 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.913 -20.385 13.047 1.00 16.66 H new ATOM 0 HB3 SER A 62 -8.879 -18.958 13.368 1.00 16.66 H new ATOM 0 HG SER A 62 -9.116 -20.572 15.030 1.00 16.66 H new ATOM 925 N PHE A 63 -8.958 -18.251 10.659 1.00 16.66 N ATOM 926 CA PHE A 63 -8.245 -17.546 9.563 1.00 16.66 C ATOM 927 C PHE A 63 -6.793 -18.007 9.548 1.00 16.66 C ATOM 928 O PHE A 63 -6.223 -18.284 8.511 1.00 16.66 O ATOM 929 CB PHE A 63 -8.294 -16.038 9.791 1.00 16.66 C ATOM 930 CG PHE A 63 -7.586 -15.361 8.647 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.986 -15.623 7.334 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.526 -14.483 8.896 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.329 -15.006 6.266 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.866 -13.866 7.828 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.269 -14.127 6.512 1.00 16.66 C ATOM 0 H PHE A 63 -9.422 -17.650 11.340 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.724 -17.775 8.611 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.328 -15.697 9.852 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.817 -15.782 10.737 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.803 -16.303 7.144 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.218 -14.282 9.911 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.639 -15.208 5.251 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.046 -13.189 8.018 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.761 -13.649 5.687 1.00 16.66 H new ATOM 945 N GLN A 64 -6.192 -18.097 10.698 1.00 16.66 N ATOM 946 CA GLN A 64 -4.778 -18.545 10.771 1.00 16.66 C ATOM 947 C GLN A 64 -4.667 -19.957 10.190 1.00 16.66 C ATOM 948 O GLN A 64 -3.815 -20.236 9.369 1.00 16.66 O ATOM 949 CB GLN A 64 -4.336 -18.552 12.233 1.00 16.66 C ATOM 950 CG GLN A 64 -2.827 -18.799 12.312 1.00 16.66 C ATOM 951 CD GLN A 64 -2.083 -17.609 11.703 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.399 -16.471 11.986 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.100 -17.826 10.873 1.00 50.00 N ATOM 0 H GLN A 64 -6.623 -17.878 11.596 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.141 -17.870 10.200 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.584 -17.600 12.703 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.871 -19.327 12.781 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.524 -18.938 13.350 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.569 -19.714 11.779 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.835 -18.782 10.635 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.597 -17.040 10.462 1.00 50.00 H new ATOM 962 N GLU A 65 -5.527 -20.847 10.606 1.00 16.66 N ATOM 963 CA GLU A 65 -5.479 -22.237 10.077 1.00 16.66 C ATOM 964 C GLU A 65 -5.678 -22.203 8.563 1.00 16.66 C ATOM 965 O GLU A 65 -4.959 -22.833 7.815 1.00 16.66 O ATOM 966 CB GLU A 65 -6.600 -23.060 10.715 1.00 16.66 C ATOM 967 CG GLU A 65 -6.141 -23.599 12.072 1.00 16.66 C ATOM 968 CD GLU A 65 -7.289 -24.368 12.736 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.422 -24.116 12.395 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.016 -25.195 13.575 1.00 16.66 O ATOM 0 H GLU A 65 -6.262 -20.669 11.291 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.515 -22.688 10.313 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.490 -22.443 10.841 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.875 -23.886 10.060 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.279 -24.253 11.942 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.823 -22.776 12.712 1.00 16.66 H new ATOM 977 N PHE A 66 -6.650 -21.464 8.109 1.00 16.66 N ATOM 978 CA PHE A 66 -6.902 -21.378 6.644 1.00 16.66 C ATOM 979 C PHE A 66 -5.679 -20.768 5.962 1.00 16.66 C ATOM 980 O PHE A 66 -5.310 -21.149 4.868 1.00 16.66 O ATOM 981 CB PHE A 66 -8.126 -20.496 6.391 1.00 16.66 C ATOM 982 CG PHE A 66 -8.431 -20.468 4.913 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.806 -19.527 4.086 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.343 -21.381 4.370 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.091 -19.500 2.716 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.628 -21.354 2.999 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.002 -20.413 2.172 1.00 16.66 C ATOM 0 H PHE A 66 -7.283 -20.914 8.690 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.086 -22.374 6.241 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.984 -20.880 6.943 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.940 -19.485 6.754 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.104 -18.822 4.505 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.827 -22.106 5.008 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.608 -18.774 2.078 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.331 -22.059 2.580 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.222 -20.392 1.115 1.00 16.66 H new ATOM 997 N THR A 67 -5.045 -19.829 6.603 1.00 16.66 N ATOM 998 CA THR A 67 -3.839 -19.198 5.999 1.00 16.66 C ATOM 999 C THR A 67 -2.708 -20.225 5.959 1.00 16.66 C ATOM 1000 O THR A 67 -2.060 -20.412 4.948 1.00 16.66 O ATOM 1001 CB THR A 67 -3.412 -17.997 6.848 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.392 -16.973 6.743 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.066 -17.471 6.348 1.00 50.00 C ATOM 0 H THR A 67 -5.309 -19.470 7.520 1.00 16.66 H new ATOM 0 HA THR A 67 -4.065 -18.861 4.988 1.00 16.66 H new ATOM 0 HB THR A 67 -3.316 -18.303 7.890 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.168 -17.206 7.294 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.762 -16.616 6.952 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.315 -18.257 6.428 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.160 -17.164 5.306 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.469 -20.897 7.052 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.385 -21.917 7.077 1.00 25.00 C ATOM 1013 C ASP A 68 -1.658 -22.969 6.002 1.00 25.00 C ATOM 1014 O ASP A 68 -0.755 -23.457 5.351 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.347 -22.589 8.451 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.041 -21.540 9.523 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.535 -20.489 9.168 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.319 -21.807 10.681 1.00 50.00 O ATOM 0 H ASP A 68 -2.978 -20.783 7.928 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.426 -21.436 6.883 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.303 -23.069 8.659 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.588 -23.371 8.465 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.900 -23.318 5.809 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.241 -24.328 4.777 1.00 25.00 C ATOM 1025 C PHE A 69 -3.218 -23.645 3.405 1.00 25.00 C ATOM 1026 O PHE A 69 -2.817 -24.226 2.417 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.633 -24.903 5.102 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.385 -25.237 3.839 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -5.933 -24.209 3.070 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.532 -26.569 3.440 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.629 -24.509 1.894 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.227 -26.872 2.266 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.777 -25.842 1.492 1.00 50.00 C ATOM 0 H PHE A 69 -3.695 -22.943 6.326 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.524 -25.148 4.765 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.527 -25.798 5.715 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.201 -24.181 5.688 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.820 -23.182 3.383 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.109 -27.363 4.038 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.051 -23.714 1.297 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.340 -27.900 1.955 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.315 -26.076 0.585 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.635 -22.410 3.344 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.627 -21.682 2.045 1.00 16.66 C ATOM 1045 C GLY A 70 -2.197 -21.652 1.503 1.00 16.66 C ATOM 1046 O GLY A 70 -1.971 -21.711 0.311 1.00 16.66 O ATOM 0 H GLY A 70 -3.981 -21.873 4.139 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.290 -22.174 1.333 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.001 -20.667 2.179 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.229 -21.575 2.375 1.00 25.00 N ATOM 1051 CA ARG A 71 0.188 -21.560 1.915 1.00 25.00 C ATOM 1052 C ARG A 71 0.498 -22.901 1.255 1.00 25.00 C ATOM 1053 O ARG A 71 1.279 -22.988 0.328 1.00 25.00 O ATOM 1054 CB ARG A 71 1.116 -21.348 3.112 1.00 50.00 C ATOM 1055 CG ARG A 71 0.832 -19.984 3.745 1.00 50.00 C ATOM 1056 CD ARG A 71 1.784 -19.761 4.922 1.00 50.00 C ATOM 1057 NE ARG A 71 1.636 -20.877 5.898 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.334 -20.877 7.001 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.376 -20.098 7.115 1.00 50.00 N ATOM 1060 NH2 ARG A 71 1.992 -21.656 7.990 1.00 50.00 N ATOM 0 H ARG A 71 -1.358 -21.522 3.385 1.00 25.00 H new ATOM 0 HA ARG A 71 0.341 -20.749 1.203 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.966 -22.139 3.846 1.00 50.00 H new ATOM 0 HB3 ARG A 71 2.157 -21.403 2.793 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.960 -19.194 3.005 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.202 -19.937 4.086 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.813 -19.709 4.566 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.565 -18.809 5.406 1.00 50.00 H new ATOM 0 HE ARG A 71 0.989 -21.641 5.704 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.645 -19.489 6.342 1.00 50.00 H new ATOM 0 HH12 ARG A 71 3.921 -20.098 7.977 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.179 -22.265 7.902 1.00 50.00 H new ATOM 0 HH22 ARG A 71 2.538 -21.656 8.852 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.120 -23.947 1.726 1.00 25.00 N ATOM 1075 CA ALA A 72 0.117 -25.291 1.133 1.00 25.00 C ATOM 1076 C ALA A 72 -0.811 -25.482 -0.071 1.00 25.00 C ATOM 1077 O ALA A 72 -0.768 -26.490 -0.747 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.178 -26.365 2.183 1.00 50.00 C ATOM 0 H ALA A 72 -0.783 -23.928 2.501 1.00 25.00 H new ATOM 0 HA ALA A 72 1.155 -25.374 0.809 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.006 -27.352 1.753 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.478 -26.224 3.042 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.217 -26.285 2.503 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.651 -24.519 -0.341 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.582 -24.636 -1.493 1.00 25.00 C ATOM 1086 C ASN A 73 -2.903 -23.233 -2.007 1.00 25.00 C ATOM 1087 O ASN A 73 -4.047 -22.882 -2.220 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.868 -25.328 -1.037 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.565 -26.784 -0.684 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -3.438 -27.621 -1.556 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.443 -27.124 0.569 1.00 50.00 N ATOM 0 H ASN A 73 -1.730 -23.653 0.192 1.00 25.00 H new ATOM 0 HA ASN A 73 -2.124 -25.224 -2.289 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.284 -24.812 -0.172 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -4.618 -25.282 -1.827 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.241 -28.092 0.817 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.550 -26.421 1.301 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.898 -22.427 -2.207 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.137 -21.045 -2.706 1.00 25.00 C ATOM 1100 C ARG A 74 -2.881 -21.122 -4.034 1.00 25.00 C ATOM 1101 O ARG A 74 -3.859 -20.437 -4.255 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.798 -20.332 -2.908 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.171 -20.024 -1.546 1.00 25.00 C ATOM 1104 CD ARG A 74 1.036 -19.103 -1.735 1.00 25.00 C ATOM 1105 NE ARG A 74 2.039 -19.771 -2.611 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.034 -19.086 -3.106 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.075 -18.820 -4.382 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.992 -18.669 -2.322 1.00 50.00 N ATOM 0 H ARG A 74 -0.920 -22.667 -2.046 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.731 -20.488 -1.981 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.126 -20.957 -3.496 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.947 -19.409 -3.469 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.905 -19.549 -0.895 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.137 -20.949 -1.058 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.720 -18.159 -2.180 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.481 -18.867 -0.769 1.00 25.00 H new ATOM 0 HE ARG A 74 1.948 -20.764 -2.824 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.329 -19.147 -4.995 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.853 -18.285 -4.767 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.962 -18.879 -1.324 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.770 -18.134 -2.708 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.425 -21.962 -4.915 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.101 -22.101 -6.231 1.00 25.00 C ATOM 1124 C GLY A 75 -4.565 -22.474 -6.005 1.00 25.00 C ATOM 1125 O GLY A 75 -5.406 -22.278 -6.861 1.00 25.00 O ATOM 0 H GLY A 75 -1.610 -22.561 -4.781 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.033 -21.167 -6.789 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.606 -22.866 -6.829 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.878 -23.011 -4.857 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.289 -23.392 -4.579 1.00 25.00 C ATOM 1131 C LEU A 76 -7.079 -22.149 -4.175 1.00 25.00 C ATOM 1132 O LEU A 76 -8.192 -21.936 -4.613 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.324 -24.415 -3.443 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.728 -25.736 -3.931 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -4.218 -25.581 -4.124 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.003 -26.832 -2.899 1.00 50.00 C ATOM 0 H LEU A 76 -4.218 -23.201 -4.103 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.734 -23.829 -5.473 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.761 -24.044 -2.587 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.350 -24.568 -3.108 1.00 25.00 H new ATOM 0 HG LEU A 76 -6.186 -26.009 -4.882 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -3.797 -26.524 -4.472 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -4.024 -24.803 -4.862 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -3.756 -25.305 -3.176 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -5.578 -27.774 -3.247 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -5.548 -26.558 -1.947 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -7.079 -26.946 -2.767 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.511 -21.331 -3.337 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.225 -20.101 -2.889 1.00 25.00 C ATOM 1150 C LEU A 77 -7.343 -19.112 -4.052 1.00 25.00 C ATOM 1151 O LEU A 77 -8.199 -18.250 -4.055 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.447 -19.446 -1.745 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.909 -20.525 -0.802 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.426 -19.872 0.496 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.020 -21.529 -0.484 1.00 50.00 C ATOM 0 H LEU A 77 -5.580 -21.460 -2.940 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.223 -20.374 -2.546 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.623 -18.855 -2.145 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.094 -18.761 -1.198 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.078 -21.043 -1.281 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.043 -20.639 1.169 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.634 -19.158 0.271 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.257 -19.353 0.974 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.635 -22.297 0.187 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.852 -21.012 -0.006 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.365 -21.994 -1.407 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.494 -19.222 -5.036 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.568 -18.279 -6.187 1.00 25.00 C ATOM 1169 C LYS A 78 -7.675 -18.721 -7.146 1.00 25.00 C ATOM 1170 O LYS A 78 -8.239 -17.922 -7.868 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.227 -18.269 -6.924 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.171 -17.590 -6.048 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.970 -17.193 -6.909 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.447 -18.423 -7.653 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.349 -18.016 -8.575 1.00 50.00 N ATOM 0 H LYS A 78 -5.754 -19.922 -5.093 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.790 -17.277 -5.819 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -4.920 -19.288 -7.158 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.324 -17.740 -7.872 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.595 -16.708 -5.568 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -3.854 -18.265 -5.253 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.259 -16.420 -7.621 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.183 -16.772 -6.283 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.083 -19.164 -6.941 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.254 -18.891 -8.216 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.993 -18.852 -9.081 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.711 -17.324 -9.261 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.576 -17.588 -8.027 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.992 -19.986 -7.164 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.062 -20.475 -8.080 1.00 25.00 C ATOM 1191 C ASP A 79 -10.415 -20.401 -7.373 1.00 25.00 C ATOM 1192 O ASP A 79 -11.414 -20.031 -7.958 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.774 -21.925 -8.471 1.00 25.00 C ATOM 1194 CG ASP A 79 -9.858 -22.421 -9.429 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -10.659 -21.607 -9.858 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -9.870 -23.606 -9.719 1.00 50.00 O ATOM 0 H ASP A 79 -7.556 -20.703 -6.584 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.085 -19.852 -8.974 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -7.795 -21.997 -8.944 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -8.745 -22.554 -7.581 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.454 -20.752 -6.121 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.738 -20.708 -5.369 1.00 25.00 C ATOM 1203 C VAL A 80 -12.179 -19.256 -5.197 1.00 25.00 C ATOM 1204 O VAL A 80 -13.334 -18.916 -5.359 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.537 -21.355 -3.994 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.880 -20.361 -3.031 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.893 -21.789 -3.434 1.00 50.00 C ATOM 0 H VAL A 80 -9.648 -21.069 -5.582 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.506 -21.252 -5.919 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.887 -22.224 -4.102 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.743 -20.833 -2.058 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.911 -20.057 -3.427 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.518 -19.484 -2.922 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.752 -22.249 -2.456 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.541 -20.918 -3.335 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.353 -22.509 -4.111 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.258 -18.404 -4.864 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.599 -16.967 -4.669 1.00 25.00 C ATOM 1219 C ALA A 81 -12.374 -16.447 -5.879 1.00 25.00 C ATOM 1220 O ALA A 81 -13.285 -15.653 -5.750 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.312 -16.157 -4.503 1.00 50.00 C ATOM 0 H ALA A 81 -10.276 -18.639 -4.717 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.216 -16.863 -3.777 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.560 -15.105 -4.360 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.762 -16.521 -3.635 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.696 -16.267 -5.395 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.019 -16.881 -7.056 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.734 -16.401 -8.274 1.00 25.00 C ATOM 1229 C LYS A 82 -14.178 -16.902 -8.250 1.00 25.00 C ATOM 1230 O LYS A 82 -15.065 -16.298 -8.820 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.029 -16.936 -9.522 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.612 -16.366 -9.592 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.968 -16.760 -10.924 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.473 -16.440 -10.881 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.880 -16.654 -12.232 1.00 50.00 N ATOM 0 H LYS A 82 -11.266 -17.547 -7.228 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.729 -15.311 -8.292 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.993 -18.025 -9.494 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.588 -16.659 -10.415 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.640 -15.281 -9.497 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.015 -16.744 -8.762 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.118 -17.823 -11.113 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.443 -16.221 -11.744 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.320 -15.408 -10.564 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.975 -17.076 -10.149 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.863 -16.437 -12.203 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.014 -17.645 -12.517 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.348 -16.030 -12.920 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.422 -18.004 -7.596 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.808 -18.542 -7.537 1.00 25.00 C ATOM 1251 C ILE A 83 -16.721 -17.517 -6.867 1.00 25.00 C ATOM 1252 O ILE A 83 -17.821 -17.260 -7.315 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.815 -19.839 -6.728 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.766 -20.799 -7.297 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.201 -20.479 -6.811 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.994 -22.204 -6.733 1.00 50.00 C ATOM 0 H ILE A 83 -13.721 -18.554 -7.100 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.166 -18.742 -8.547 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.578 -19.624 -5.686 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.829 -20.819 -8.385 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.765 -20.452 -7.042 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.210 -21.404 -6.235 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.944 -19.792 -6.405 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.439 -20.697 -7.852 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.246 -22.885 -7.140 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.909 -22.178 -5.647 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.989 -22.550 -7.011 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.269 -16.930 -5.797 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.103 -15.918 -5.091 1.00 25.00 C ATOM 1270 C PHE A 84 -16.797 -14.526 -5.649 1.00 25.00 C ATOM 1271 O PHE A 84 -15.627 -14.212 -5.793 1.00 99.99 O ATOM 1272 CB PHE A 84 -16.784 -15.947 -3.595 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.230 -17.267 -3.013 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.392 -18.385 -3.093 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.480 -17.371 -2.391 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.805 -19.609 -2.553 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.893 -18.594 -1.851 1.00 50.00 C ATOM 1278 CZ PHE A 84 -18.056 -19.713 -1.931 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.738 -13.799 -5.923 1.00 25.00 O ATOM 0 H PHE A 84 -15.356 -17.107 -5.379 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.158 -16.148 -5.243 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.714 -15.810 -3.437 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.289 -15.124 -3.088 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.427 -18.304 -3.571 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.125 -16.507 -2.328 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -16.159 -20.473 -2.616 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.858 -18.675 -1.372 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.375 -20.657 -1.513 1.00 50.00 H new