USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 76 ASN : amide:sc= -1.02 K(o=-1,f=-3.9!) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0354 K(o=-0.035,f=-1.1) USER MOD Single : A 24 THR OG1 : rot -95:sc= 0.189 USER MOD Single : A 25 SER OG : rot 180:sc= -0.356 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 40 TYR OH : rot -85:sc= -5.39! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 29:sc= 0.0371 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0799 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -28:sc= 1.11 USER MOD Single : A 62 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.1!) USER MOD Single : A 63 SER OG : rot 36:sc= 0.0447 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 70 GLN : amide:sc= -0.589 K(o=-0.59,f=-4.8!) USER MOD Single : A 74 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.232 F(o=-1.6,f=-0.23) USER MOD Single : A 97 THR OG1 : rot -164:sc= 1.12 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.440 -12.031 4.141 1.00 0.00 N ATOM 142 CA ALA A 12 2.313 -10.647 3.726 1.00 0.00 C ATOM 143 C ALA A 12 3.672 -9.996 3.901 1.00 0.00 C ATOM 144 O ALA A 12 4.500 -10.514 4.653 1.00 0.00 O ATOM 145 CB ALA A 12 1.278 -9.935 4.574 1.00 0.00 C ATOM 0 HA ALA A 12 1.988 -10.587 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.194 -8.897 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.313 -10.429 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.582 -9.965 5.620 1.00 0.00 H new ATOM 151 N PRO A 13 3.954 -8.885 3.217 1.00 0.00 N ATOM 152 CA PRO A 13 5.214 -8.180 3.403 1.00 0.00 C ATOM 153 C PRO A 13 5.308 -7.559 4.792 1.00 0.00 C ATOM 154 O PRO A 13 4.400 -6.835 5.215 1.00 0.00 O ATOM 155 CB PRO A 13 5.181 -7.085 2.330 1.00 0.00 C ATOM 156 CG PRO A 13 4.121 -7.511 1.375 1.00 0.00 C ATOM 157 CD PRO A 13 3.110 -8.228 2.210 1.00 0.00 C ATOM 0 HA PRO A 13 6.074 -8.844 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.952 -6.113 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.146 -6.992 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.678 -6.653 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.526 -8.162 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.394 -7.542 2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.536 -8.948 1.627 1.00 0.00 H new ATOM 165 N PRO A 14 6.389 -7.863 5.534 1.00 0.00 N ATOM 166 CA PRO A 14 6.685 -7.195 6.799 1.00 0.00 C ATOM 167 C PRO A 14 6.607 -5.688 6.639 1.00 0.00 C ATOM 168 O PRO A 14 6.963 -5.166 5.579 1.00 0.00 O ATOM 169 CB PRO A 14 8.116 -7.635 7.105 1.00 0.00 C ATOM 170 CG PRO A 14 8.249 -8.962 6.442 1.00 0.00 C ATOM 171 CD PRO A 14 7.383 -8.905 5.212 1.00 0.00 C ATOM 0 HA PRO A 14 5.983 -7.450 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.842 -6.922 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.287 -7.709 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.287 -9.163 6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.928 -9.764 7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.962 -8.646 4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.907 -9.865 5.012 1.00 0.00 H new ATOM 179 N ASP A 15 6.146 -5.017 7.702 1.00 0.00 N ATOM 180 CA ASP A 15 5.787 -3.592 7.665 1.00 0.00 C ATOM 181 C ASP A 15 6.707 -2.787 6.757 1.00 0.00 C ATOM 182 O ASP A 15 7.861 -2.520 7.095 1.00 0.00 O ATOM 183 CB ASP A 15 5.802 -3.001 9.077 1.00 0.00 C ATOM 184 CG ASP A 15 4.707 -3.570 9.958 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.591 -3.006 9.969 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.953 -4.589 10.644 1.00 0.00 O ATOM 0 H ASP A 15 6.011 -5.448 8.616 1.00 0.00 H new ATOM 0 HA ASP A 15 4.780 -3.528 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.771 -3.194 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.688 -1.919 9.015 1.00 0.00 H new ATOM 191 N PRO A 16 6.187 -2.408 5.579 1.00 0.00 N ATOM 192 CA PRO A 16 6.924 -1.631 4.574 1.00 0.00 C ATOM 193 C PRO A 16 7.279 -0.243 5.064 1.00 0.00 C ATOM 194 O PRO A 16 6.635 0.311 5.956 1.00 0.00 O ATOM 195 CB PRO A 16 5.946 -1.554 3.386 1.00 0.00 C ATOM 196 CG PRO A 16 5.013 -2.682 3.621 1.00 0.00 C ATOM 197 CD PRO A 16 4.837 -2.733 5.108 1.00 0.00 C ATOM 0 HA PRO A 16 7.878 -2.094 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.421 -0.599 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.465 -1.657 2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.061 -2.519 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.421 -3.618 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.097 -2.013 5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.510 -3.716 5.448 1.00 0.00 H new ATOM 205 N THR A 17 8.317 0.306 4.481 1.00 0.00 N ATOM 206 CA THR A 17 8.803 1.612 4.866 1.00 0.00 C ATOM 207 C THR A 17 8.615 2.607 3.744 1.00 0.00 C ATOM 208 O THR A 17 8.914 2.335 2.579 1.00 0.00 O ATOM 209 CB THR A 17 10.284 1.539 5.284 1.00 0.00 C ATOM 210 OG1 THR A 17 10.445 0.526 6.288 1.00 0.00 O ATOM 211 CG2 THR A 17 10.772 2.875 5.830 1.00 0.00 C ATOM 0 H THR A 17 8.847 -0.136 3.730 1.00 0.00 H new ATOM 0 HA THR A 17 8.221 1.952 5.723 1.00 0.00 H new ATOM 0 HB THR A 17 10.877 1.294 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.387 0.476 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.820 2.790 6.116 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.666 3.642 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.179 3.150 6.702 1.00 0.00 H new ATOM 219 N VAL A 18 8.050 3.733 4.116 1.00 0.00 N ATOM 220 CA VAL A 18 7.880 4.853 3.207 1.00 0.00 C ATOM 221 C VAL A 18 9.228 5.528 2.956 1.00 0.00 C ATOM 222 O VAL A 18 9.910 5.956 3.888 1.00 0.00 O ATOM 223 CB VAL A 18 6.854 5.869 3.756 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.826 7.134 2.903 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.466 5.240 3.828 1.00 0.00 C ATOM 0 H VAL A 18 7.694 3.902 5.057 1.00 0.00 H new ATOM 0 HA VAL A 18 7.492 4.473 2.262 1.00 0.00 H new ATOM 0 HB VAL A 18 7.161 6.149 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.095 7.832 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.813 7.597 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.550 6.877 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.756 5.970 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.156 4.928 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.493 4.373 4.488 1.00 0.00 H new ATOM 235 N ASP A 19 9.605 5.598 1.688 1.00 0.00 N ATOM 236 CA ASP A 19 10.916 6.090 1.287 1.00 0.00 C ATOM 237 C ASP A 19 10.920 7.613 1.187 1.00 0.00 C ATOM 238 O ASP A 19 11.863 8.274 1.622 1.00 0.00 O ATOM 239 CB ASP A 19 11.304 5.477 -0.059 1.00 0.00 C ATOM 240 CG ASP A 19 12.775 5.635 -0.375 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.159 6.673 -0.947 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.552 4.708 -0.058 1.00 0.00 O ATOM 0 H ASP A 19 9.012 5.316 0.908 1.00 0.00 H new ATOM 0 HA ASP A 19 11.643 5.797 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.050 4.417 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.716 5.944 -0.849 1.00 0.00 H new ATOM 247 N GLN A 20 9.851 8.162 0.622 1.00 0.00 N ATOM 248 CA GLN A 20 9.704 9.607 0.487 1.00 0.00 C ATOM 249 C GLN A 20 8.296 10.026 0.860 1.00 0.00 C ATOM 250 O GLN A 20 7.328 9.333 0.544 1.00 0.00 O ATOM 251 CB GLN A 20 9.997 10.070 -0.943 1.00 0.00 C ATOM 252 CG GLN A 20 11.446 9.915 -1.374 1.00 0.00 C ATOM 253 CD GLN A 20 11.720 10.603 -2.699 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.090 11.607 -3.033 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.654 10.068 -3.466 1.00 0.00 N ATOM 0 H GLN A 20 9.069 7.625 0.248 1.00 0.00 H new ATOM 0 HA GLN A 20 10.424 10.073 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.365 9.507 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.714 11.118 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.099 10.331 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.688 8.856 -1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.155 9.236 -3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.874 10.488 -4.369 1.00 0.00 H new ATOM 264 N VAL A 21 8.192 11.152 1.546 1.00 0.00 N ATOM 265 CA VAL A 21 6.898 11.690 1.935 1.00 0.00 C ATOM 266 C VAL A 21 6.734 13.114 1.414 1.00 0.00 C ATOM 267 O VAL A 21 7.524 13.999 1.745 1.00 0.00 O ATOM 268 CB VAL A 21 6.714 11.696 3.470 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.311 12.147 3.842 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.008 10.329 4.064 1.00 0.00 C ATOM 0 H VAL A 21 8.990 11.713 1.846 1.00 0.00 H new ATOM 0 HA VAL A 21 6.140 11.041 1.496 1.00 0.00 H new ATOM 0 HB VAL A 21 7.428 12.406 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.203 12.144 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.140 13.155 3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.582 11.466 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.870 10.365 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.328 9.592 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.037 10.048 3.839 1.00 0.00 H new ATOM 280 N ASP A 22 5.727 13.328 0.582 1.00 0.00 N ATOM 281 CA ASP A 22 5.428 14.661 0.068 1.00 0.00 C ATOM 282 C ASP A 22 3.983 15.033 0.380 1.00 0.00 C ATOM 283 O ASP A 22 3.376 14.474 1.291 1.00 0.00 O ATOM 284 CB ASP A 22 5.671 14.738 -1.446 1.00 0.00 C ATOM 285 CG ASP A 22 7.123 14.551 -1.834 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.912 15.507 -1.679 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.482 13.461 -2.325 1.00 0.00 O ATOM 0 H ASP A 22 5.100 12.597 0.246 1.00 0.00 H new ATOM 0 HA ASP A 22 6.096 15.369 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.069 13.976 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.327 15.705 -1.813 1.00 0.00 H new ATOM 292 N ASP A 23 3.445 15.985 -0.366 1.00 0.00 N ATOM 293 CA ASP A 23 2.067 16.430 -0.194 1.00 0.00 C ATOM 294 C ASP A 23 1.101 15.541 -0.953 1.00 0.00 C ATOM 295 O ASP A 23 0.152 15.002 -0.389 1.00 0.00 O ATOM 296 CB ASP A 23 1.915 17.872 -0.692 1.00 0.00 C ATOM 297 CG ASP A 23 2.348 18.066 -2.136 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.415 17.541 -2.520 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.618 18.735 -2.891 1.00 0.00 O ATOM 0 H ASP A 23 3.949 16.472 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 23 1.832 16.375 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.873 18.175 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.502 18.532 -0.054 1.00 0.00 H new ATOM 304 N THR A 24 1.360 15.396 -2.233 1.00 0.00 N ATOM 305 CA THR A 24 0.459 14.718 -3.139 1.00 0.00 C ATOM 306 C THR A 24 1.151 13.512 -3.765 1.00 0.00 C ATOM 307 O THR A 24 0.838 13.098 -4.880 1.00 0.00 O ATOM 308 CB THR A 24 -0.007 15.709 -4.217 1.00 0.00 C ATOM 309 OG1 THR A 24 1.135 16.354 -4.806 1.00 0.00 O ATOM 310 CG2 THR A 24 -0.915 16.764 -3.598 1.00 0.00 C ATOM 0 H THR A 24 2.208 15.748 -2.678 1.00 0.00 H new ATOM 0 HA THR A 24 -0.411 14.355 -2.592 1.00 0.00 H new ATOM 0 HB THR A 24 -0.558 15.164 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.292 17.212 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.240 17.462 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.786 16.280 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.369 17.306 -2.825 1.00 0.00 H new ATOM 318 N SER A 25 2.078 12.949 -3.003 1.00 0.00 N ATOM 319 CA SER A 25 2.907 11.841 -3.450 1.00 0.00 C ATOM 320 C SER A 25 3.688 11.267 -2.268 1.00 0.00 C ATOM 321 O SER A 25 4.293 12.011 -1.500 1.00 0.00 O ATOM 322 CB SER A 25 3.859 12.290 -4.563 1.00 0.00 C ATOM 323 OG SER A 25 4.550 13.477 -4.203 1.00 0.00 O ATOM 0 H SER A 25 2.277 13.252 -2.049 1.00 0.00 H new ATOM 0 HA SER A 25 2.262 11.062 -3.856 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.578 11.497 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.295 12.459 -5.481 1.00 0.00 H new ATOM 0 HG SER A 25 5.151 13.739 -4.931 1.00 0.00 H new ATOM 329 N ILE A 26 3.642 9.956 -2.110 1.00 0.00 N ATOM 330 CA ILE A 26 4.364 9.265 -1.036 1.00 0.00 C ATOM 331 C ILE A 26 4.772 7.889 -1.541 1.00 0.00 C ATOM 332 O ILE A 26 4.019 7.267 -2.266 1.00 0.00 O ATOM 333 CB ILE A 26 3.495 9.119 0.248 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.337 10.463 0.964 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.082 8.094 1.206 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.469 10.390 2.203 1.00 0.00 C ATOM 0 H ILE A 26 3.107 9.334 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 26 5.240 9.856 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 26 2.512 8.771 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.323 10.835 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.907 11.186 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.449 8.019 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.134 7.123 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.084 8.405 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.401 11.378 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.471 10.048 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.909 9.692 2.915 1.00 0.00 H new ATOM 348 N VAL A 27 5.945 7.405 -1.184 1.00 0.00 N ATOM 349 CA VAL A 27 6.399 6.137 -1.726 1.00 0.00 C ATOM 350 C VAL A 27 6.536 5.124 -0.618 1.00 0.00 C ATOM 351 O VAL A 27 7.062 5.440 0.436 1.00 0.00 O ATOM 352 CB VAL A 27 7.754 6.264 -2.436 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.137 4.933 -3.063 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.716 7.364 -3.482 1.00 0.00 C ATOM 0 H VAL A 27 6.590 7.857 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 27 5.654 5.817 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 27 8.511 6.534 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.100 5.031 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.209 4.172 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.378 4.641 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.687 7.435 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.952 7.134 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.481 8.314 -3.002 1.00 0.00 H new ATOM 364 N VAL A 28 6.076 3.907 -0.841 1.00 0.00 N ATOM 365 CA VAL A 28 6.197 2.887 0.178 1.00 0.00 C ATOM 366 C VAL A 28 6.863 1.647 -0.398 1.00 0.00 C ATOM 367 O VAL A 28 6.663 1.324 -1.566 1.00 0.00 O ATOM 368 CB VAL A 28 4.834 2.529 0.814 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.840 3.657 0.681 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.271 1.241 0.263 1.00 0.00 C ATOM 0 H VAL A 28 5.623 3.606 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 28 6.822 3.292 0.974 1.00 0.00 H new ATOM 0 HB VAL A 28 5.018 2.374 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.895 3.366 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.228 4.545 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.678 3.876 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.313 1.030 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.128 1.337 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.965 0.425 0.465 1.00 0.00 H new ATOM 380 N ARG A 29 7.655 0.971 0.424 1.00 0.00 N ATOM 381 CA ARG A 29 8.449 -0.175 -0.019 1.00 0.00 C ATOM 382 C ARG A 29 8.244 -1.357 0.914 1.00 0.00 C ATOM 383 O ARG A 29 8.551 -1.278 2.101 1.00 0.00 O ATOM 384 CB ARG A 29 9.935 0.201 -0.051 1.00 0.00 C ATOM 385 CG ARG A 29 10.238 1.456 -0.856 1.00 0.00 C ATOM 386 CD ARG A 29 11.686 1.892 -0.695 1.00 0.00 C ATOM 387 NE ARG A 29 12.626 0.854 -1.104 1.00 0.00 N ATOM 388 CZ ARG A 29 13.935 1.051 -1.246 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.464 2.252 -1.029 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.718 0.040 -1.599 1.00 0.00 N ATOM 0 H ARG A 29 7.767 1.197 1.412 1.00 0.00 H new ATOM 0 HA ARG A 29 8.123 -0.455 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.285 0.344 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.501 -0.632 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.029 1.272 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.578 2.262 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.860 2.791 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.870 2.156 0.347 1.00 0.00 H new ATOM 0 HE ARG A 29 12.258 -0.079 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.866 3.030 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.468 2.395 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.317 -0.884 -1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.721 0.186 -1.709 1.00 0.00 H new ATOM 404 N TRP A 30 7.771 -2.457 0.349 1.00 0.00 N ATOM 405 CA TRP A 30 7.398 -3.639 1.124 1.00 0.00 C ATOM 406 C TRP A 30 8.317 -4.826 0.831 1.00 0.00 C ATOM 407 O TRP A 30 8.847 -4.964 -0.274 1.00 0.00 O ATOM 408 CB TRP A 30 5.930 -4.020 0.848 1.00 0.00 C ATOM 409 CG TRP A 30 5.604 -4.217 -0.597 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.817 -5.336 -1.331 1.00 0.00 C ATOM 411 CD2 TRP A 30 4.962 -3.285 -1.465 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.398 -5.144 -2.622 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.852 -3.895 -2.726 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.480 -1.990 -1.305 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.275 -3.257 -3.814 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.901 -1.361 -2.383 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.803 -1.991 -3.621 1.00 0.00 C ATOM 0 H TRP A 30 7.634 -2.560 -0.657 1.00 0.00 H new ATOM 0 HA TRP A 30 7.511 -3.388 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.698 -4.938 1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.283 -3.240 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.254 -6.248 -0.953 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.480 -5.821 -3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.559 -1.488 -0.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.202 -3.743 -4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.515 -0.359 -2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.344 -1.467 -4.446 1.00 0.00 H new ATOM 428 N SER A 31 8.512 -5.671 1.836 1.00 0.00 N ATOM 429 CA SER A 31 9.288 -6.893 1.678 1.00 0.00 C ATOM 430 C SER A 31 8.368 -8.060 1.322 1.00 0.00 C ATOM 431 O SER A 31 7.872 -8.768 2.194 1.00 0.00 O ATOM 432 CB SER A 31 10.069 -7.188 2.960 1.00 0.00 C ATOM 433 OG SER A 31 10.926 -6.106 3.287 1.00 0.00 O ATOM 0 H SER A 31 8.140 -5.530 2.775 1.00 0.00 H new ATOM 0 HA SER A 31 10.000 -6.759 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.375 -7.369 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.656 -8.097 2.833 1.00 0.00 H new ATOM 0 HG SER A 31 11.415 -6.313 4.111 1.00 0.00 H new ATOM 439 N ARG A 32 8.151 -8.226 0.027 1.00 0.00 N ATOM 440 CA ARG A 32 7.227 -9.220 -0.532 1.00 0.00 C ATOM 441 C ARG A 32 7.451 -10.644 0.020 1.00 0.00 C ATOM 442 O ARG A 32 8.537 -10.976 0.500 1.00 0.00 O ATOM 443 CB ARG A 32 7.368 -9.214 -2.056 1.00 0.00 C ATOM 444 CG ARG A 32 8.808 -9.121 -2.511 1.00 0.00 C ATOM 445 CD ARG A 32 9.184 -7.708 -2.930 1.00 0.00 C ATOM 446 NE ARG A 32 10.623 -7.582 -3.150 1.00 0.00 N ATOM 447 CZ ARG A 32 11.181 -7.318 -4.328 1.00 0.00 C ATOM 448 NH1 ARG A 32 10.428 -7.189 -5.410 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.498 -7.192 -4.422 1.00 0.00 N ATOM 0 H ARG A 32 8.618 -7.666 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 32 6.217 -8.939 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.922 -10.122 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.807 -8.373 -2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.465 -9.447 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.969 -9.802 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.650 -7.443 -3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.869 -7.003 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 32 11.240 -7.705 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.416 -7.292 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.861 -6.986 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.081 -7.298 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.928 -6.990 -5.325 1.00 0.00 H new ATOM 463 N PRO A 33 6.414 -11.514 -0.084 1.00 0.00 N ATOM 464 CA PRO A 33 6.399 -12.851 0.525 1.00 0.00 C ATOM 465 C PRO A 33 7.286 -13.852 -0.198 1.00 0.00 C ATOM 466 O PRO A 33 7.763 -13.604 -1.303 1.00 0.00 O ATOM 467 CB PRO A 33 4.936 -13.308 0.383 1.00 0.00 C ATOM 468 CG PRO A 33 4.181 -12.129 -0.122 1.00 0.00 C ATOM 469 CD PRO A 33 5.175 -11.272 -0.826 1.00 0.00 C ATOM 0 HA PRO A 33 6.771 -12.804 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.855 -14.147 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.538 -13.644 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.384 -12.437 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.711 -11.587 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.274 -11.550 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.889 -10.220 -0.800 1.00 0.00 H new ATOM 477 N GLN A 34 7.475 -15.000 0.440 1.00 0.00 N ATOM 478 CA GLN A 34 8.204 -16.107 -0.157 1.00 0.00 C ATOM 479 C GLN A 34 7.224 -17.018 -0.888 1.00 0.00 C ATOM 480 O GLN A 34 7.590 -18.076 -1.402 1.00 0.00 O ATOM 481 CB GLN A 34 8.952 -16.888 0.917 1.00 0.00 C ATOM 482 CG GLN A 34 9.855 -16.022 1.778 1.00 0.00 C ATOM 483 CD GLN A 34 10.545 -16.804 2.873 1.00 0.00 C ATOM 484 OE1 GLN A 34 11.635 -17.336 2.677 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.915 -16.884 4.034 1.00 0.00 N ATOM 0 H GLN A 34 7.129 -15.188 1.381 1.00 0.00 H new ATOM 0 HA GLN A 34 8.934 -15.718 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.229 -17.394 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.552 -17.663 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.607 -15.549 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.265 -15.222 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.011 -16.428 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.334 -17.402 4.807 1.00 0.00 H new ATOM 494 N ALA A 35 5.969 -16.586 -0.900 1.00 0.00 N ATOM 495 CA ALA A 35 4.892 -17.298 -1.569 1.00 0.00 C ATOM 496 C ALA A 35 4.832 -16.916 -3.034 1.00 0.00 C ATOM 497 O ALA A 35 5.216 -15.806 -3.406 1.00 0.00 O ATOM 498 CB ALA A 35 3.562 -16.960 -0.906 1.00 0.00 C ATOM 0 H ALA A 35 5.670 -15.725 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 35 5.083 -18.368 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.758 -17.496 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.593 -17.255 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.383 -15.887 -0.976 1.00 0.00 H new ATOM 504 N PRO A 36 4.356 -17.828 -3.890 1.00 0.00 N ATOM 505 CA PRO A 36 4.094 -17.499 -5.277 1.00 0.00 C ATOM 506 C PRO A 36 2.811 -16.688 -5.384 1.00 0.00 C ATOM 507 O PRO A 36 1.718 -17.181 -5.100 1.00 0.00 O ATOM 508 CB PRO A 36 3.947 -18.866 -5.947 1.00 0.00 C ATOM 509 CG PRO A 36 3.493 -19.784 -4.860 1.00 0.00 C ATOM 510 CD PRO A 36 4.037 -19.230 -3.568 1.00 0.00 C ATOM 0 HA PRO A 36 4.875 -16.894 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.223 -18.830 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.892 -19.199 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.405 -19.839 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.859 -20.797 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.304 -19.298 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.922 -19.776 -3.240 1.00 0.00 H new ATOM 518 N ILE A 37 2.948 -15.449 -5.808 1.00 0.00 N ATOM 519 CA ILE A 37 1.837 -14.516 -5.829 1.00 0.00 C ATOM 520 C ILE A 37 1.639 -13.982 -7.246 1.00 0.00 C ATOM 521 O ILE A 37 2.552 -14.040 -8.063 1.00 0.00 O ATOM 522 CB ILE A 37 2.094 -13.353 -4.834 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.398 -12.634 -5.178 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.118 -13.860 -3.388 1.00 0.00 C ATOM 525 CD1 ILE A 37 3.964 -11.818 -4.039 1.00 0.00 C ATOM 0 H ILE A 37 3.828 -15.060 -6.147 1.00 0.00 H new ATOM 0 HA ILE A 37 0.928 -15.033 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 37 1.273 -12.641 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.138 -13.372 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.226 -11.979 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.300 -13.024 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.159 -14.319 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.912 -14.598 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.889 -11.338 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.243 -11.056 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.169 -12.471 -3.191 1.00 0.00 H new ATOM 537 N THR A 38 0.440 -13.504 -7.543 1.00 0.00 N ATOM 538 CA THR A 38 0.122 -12.998 -8.870 1.00 0.00 C ATOM 539 C THR A 38 0.368 -11.503 -8.991 1.00 0.00 C ATOM 540 O THR A 38 0.844 -11.034 -10.028 1.00 0.00 O ATOM 541 CB THR A 38 -1.334 -13.291 -9.253 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.200 -13.036 -8.143 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.487 -14.717 -9.709 1.00 0.00 C ATOM 0 H THR A 38 -0.333 -13.456 -6.879 1.00 0.00 H new ATOM 0 HA THR A 38 0.790 -13.521 -9.554 1.00 0.00 H new ATOM 0 HB THR A 38 -1.610 -12.632 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.126 -13.225 -8.401 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.527 -14.904 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.852 -14.891 -10.578 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.192 -15.390 -8.904 1.00 0.00 H new ATOM 551 N GLY A 39 0.044 -10.750 -7.950 1.00 0.00 N ATOM 552 CA GLY A 39 0.235 -9.325 -8.018 1.00 0.00 C ATOM 553 C GLY A 39 0.061 -8.652 -6.684 1.00 0.00 C ATOM 554 O GLY A 39 0.101 -9.307 -5.645 1.00 0.00 O ATOM 0 H GLY A 39 -0.342 -11.099 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.234 -9.114 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.474 -8.901 -8.729 1.00 0.00 H new ATOM 558 N TYR A 40 -0.126 -7.345 -6.719 1.00 0.00 N ATOM 559 CA TYR A 40 -0.331 -6.554 -5.521 1.00 0.00 C ATOM 560 C TYR A 40 -1.421 -5.535 -5.722 1.00 0.00 C ATOM 561 O TYR A 40 -1.480 -4.870 -6.752 1.00 0.00 O ATOM 562 CB TYR A 40 0.941 -5.817 -5.124 1.00 0.00 C ATOM 563 CG TYR A 40 1.821 -6.595 -4.190 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.274 -7.860 -4.519 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.196 -6.064 -2.971 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.081 -8.565 -3.667 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.006 -6.767 -2.113 1.00 0.00 C ATOM 568 CZ TYR A 40 3.447 -8.012 -2.468 1.00 0.00 C ATOM 569 OH TYR A 40 4.255 -8.710 -1.624 1.00 0.00 O ATOM 0 H TYR A 40 -0.140 -6.801 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.617 -7.249 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.506 -5.574 -6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.671 -4.872 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.986 -8.298 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.847 -5.082 -2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.427 -9.551 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.293 -6.339 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 40 3.712 -9.313 -1.074 1.00 0.00 H new ATOM 579 N ARG A 41 -2.283 -5.425 -4.740 1.00 0.00 N ATOM 580 CA ARG A 41 -3.247 -4.350 -4.700 1.00 0.00 C ATOM 581 C ARG A 41 -2.843 -3.377 -3.629 1.00 0.00 C ATOM 582 O ARG A 41 -2.231 -3.758 -2.651 1.00 0.00 O ATOM 583 CB ARG A 41 -4.612 -4.896 -4.395 1.00 0.00 C ATOM 584 CG ARG A 41 -4.756 -6.337 -4.848 1.00 0.00 C ATOM 585 CD ARG A 41 -6.147 -6.877 -4.606 1.00 0.00 C ATOM 586 NE ARG A 41 -6.697 -6.443 -3.325 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.754 -5.634 -3.201 1.00 0.00 C ATOM 588 NH1 ARG A 41 -8.325 -5.105 -4.278 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.232 -5.344 -1.998 1.00 0.00 N ATOM 0 H ARG A 41 -2.337 -6.071 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.277 -3.849 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.798 -4.832 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.367 -4.283 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.521 -6.407 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.031 -6.956 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.806 -6.550 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.122 -7.966 -4.637 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.247 -6.777 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.957 -5.316 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.131 -4.488 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.793 -5.738 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.039 -4.727 -1.905 1.00 0.00 H new ATOM 603 N ILE A 42 -3.127 -2.123 -3.830 1.00 0.00 N ATOM 604 CA ILE A 42 -2.667 -1.110 -2.893 1.00 0.00 C ATOM 605 C ILE A 42 -3.714 -0.054 -2.624 1.00 0.00 C ATOM 606 O ILE A 42 -3.971 0.776 -3.475 1.00 0.00 O ATOM 607 CB ILE A 42 -1.387 -0.438 -3.415 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.395 -1.502 -3.866 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.773 0.443 -2.337 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.791 -0.960 -4.610 1.00 0.00 C ATOM 0 H ILE A 42 -3.667 -1.769 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.461 -1.623 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.639 0.193 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.043 -2.049 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.913 -2.219 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.133 0.912 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.486 1.215 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.525 -0.166 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.448 -1.782 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.452 -0.439 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.336 -0.266 -3.970 1.00 0.00 H new ATOM 622 N VAL A 43 -4.274 -0.049 -1.426 1.00 0.00 N ATOM 623 CA VAL A 43 -5.274 0.952 -1.089 1.00 0.00 C ATOM 624 C VAL A 43 -4.733 1.918 -0.058 1.00 0.00 C ATOM 625 O VAL A 43 -4.518 1.562 1.097 1.00 0.00 O ATOM 626 CB VAL A 43 -6.591 0.336 -0.574 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.528 1.418 -0.069 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.263 -0.470 -1.667 1.00 0.00 C ATOM 0 H VAL A 43 -4.059 -0.713 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.500 1.482 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.353 -0.330 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.451 0.962 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.051 1.961 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.756 2.109 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.191 -0.897 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.484 0.179 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.599 -1.272 -1.988 1.00 0.00 H new ATOM 638 N TYR A 44 -4.509 3.135 -0.492 1.00 0.00 N ATOM 639 CA TYR A 44 -4.062 4.186 0.383 1.00 0.00 C ATOM 640 C TYR A 44 -5.151 5.211 0.530 1.00 0.00 C ATOM 641 O TYR A 44 -5.679 5.741 -0.455 1.00 0.00 O ATOM 642 CB TYR A 44 -2.751 4.811 -0.109 1.00 0.00 C ATOM 643 CG TYR A 44 -2.612 4.894 -1.615 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.361 3.751 -2.363 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.707 6.107 -2.282 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.213 3.808 -3.728 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.554 6.175 -3.650 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.310 5.024 -4.370 1.00 0.00 C ATOM 649 OH TYR A 44 -2.152 5.098 -5.730 1.00 0.00 O ATOM 0 H TYR A 44 -4.632 3.422 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.849 3.762 1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.666 5.816 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.917 4.231 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.280 2.798 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.903 7.009 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.022 2.908 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.625 7.126 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.252 6.028 -6.021 1.00 0.00 H new ATOM 659 N SER A 45 -5.493 5.450 1.774 1.00 0.00 N ATOM 660 CA SER A 45 -6.629 6.282 2.112 1.00 0.00 C ATOM 661 C SER A 45 -6.311 7.215 3.276 1.00 0.00 C ATOM 662 O SER A 45 -5.701 6.800 4.259 1.00 0.00 O ATOM 663 CB SER A 45 -7.809 5.379 2.471 1.00 0.00 C ATOM 664 OG SER A 45 -7.395 4.332 3.337 1.00 0.00 O ATOM 0 H SER A 45 -4.994 5.075 2.581 1.00 0.00 H new ATOM 0 HA SER A 45 -6.878 6.904 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.591 5.967 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.240 4.957 1.563 1.00 0.00 H new ATOM 0 HG SER A 45 -8.164 3.766 3.557 1.00 0.00 H new ATOM 670 N PRO A 46 -6.718 8.487 3.169 1.00 0.00 N ATOM 671 CA PRO A 46 -6.577 9.462 4.253 1.00 0.00 C ATOM 672 C PRO A 46 -7.424 9.068 5.451 1.00 0.00 C ATOM 673 O PRO A 46 -8.615 8.788 5.315 1.00 0.00 O ATOM 674 CB PRO A 46 -7.086 10.764 3.652 1.00 0.00 C ATOM 675 CG PRO A 46 -7.176 10.538 2.184 1.00 0.00 C ATOM 676 CD PRO A 46 -7.372 9.068 1.992 1.00 0.00 C ATOM 0 HA PRO A 46 -5.551 9.534 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.059 11.029 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.409 11.588 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.006 11.099 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.269 10.877 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.429 8.805 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.917 8.719 1.065 1.00 0.00 H new ATOM 744 N SER A 52 -8.302 8.813 -1.986 1.00 0.00 N ATOM 745 CA SER A 52 -7.867 7.443 -1.765 1.00 0.00 C ATOM 746 C SER A 52 -7.686 6.757 -3.106 1.00 0.00 C ATOM 747 O SER A 52 -8.415 7.047 -4.058 1.00 0.00 O ATOM 748 CB SER A 52 -8.887 6.680 -0.918 1.00 0.00 C ATOM 749 OG SER A 52 -9.338 7.472 0.169 1.00 0.00 O ATOM 0 HA SER A 52 -6.920 7.453 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.735 6.390 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.438 5.761 -0.541 1.00 0.00 H new ATOM 0 HG SER A 52 -9.287 8.420 -0.074 1.00 0.00 H new ATOM 755 N THR A 53 -6.715 5.871 -3.199 1.00 0.00 N ATOM 756 CA THR A 53 -6.411 5.240 -4.472 1.00 0.00 C ATOM 757 C THR A 53 -5.954 3.793 -4.285 1.00 0.00 C ATOM 758 O THR A 53 -5.458 3.420 -3.219 1.00 0.00 O ATOM 759 CB THR A 53 -5.338 6.056 -5.226 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.731 7.434 -5.298 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.117 5.525 -6.630 1.00 0.00 C ATOM 0 H THR A 53 -6.128 5.573 -2.420 1.00 0.00 H new ATOM 0 HA THR A 53 -7.325 5.221 -5.066 1.00 0.00 H new ATOM 0 HB THR A 53 -4.404 5.963 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.045 7.945 -5.776 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.356 6.124 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.787 4.487 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.050 5.582 -7.191 1.00 0.00 H new ATOM 769 N GLU A 54 -6.146 2.989 -5.327 1.00 0.00 N ATOM 770 CA GLU A 54 -5.796 1.587 -5.326 1.00 0.00 C ATOM 771 C GLU A 54 -4.922 1.276 -6.540 1.00 0.00 C ATOM 772 O GLU A 54 -5.380 1.366 -7.681 1.00 0.00 O ATOM 773 CB GLU A 54 -7.072 0.741 -5.363 1.00 0.00 C ATOM 774 CG GLU A 54 -6.830 -0.758 -5.328 1.00 0.00 C ATOM 775 CD GLU A 54 -8.110 -1.543 -5.515 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.870 -1.701 -4.538 1.00 0.00 O ATOM 777 OE2 GLU A 54 -8.371 -2.001 -6.647 1.00 0.00 O ATOM 0 H GLU A 54 -6.556 3.306 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.239 1.350 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.700 1.016 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.630 0.986 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.121 -1.029 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.374 -1.030 -4.376 1.00 0.00 H new ATOM 784 N LEU A 55 -3.663 0.936 -6.301 1.00 0.00 N ATOM 785 CA LEU A 55 -2.766 0.584 -7.392 1.00 0.00 C ATOM 786 C LEU A 55 -2.625 -0.921 -7.497 1.00 0.00 C ATOM 787 O LEU A 55 -2.991 -1.652 -6.582 1.00 0.00 O ATOM 788 CB LEU A 55 -1.386 1.268 -7.263 1.00 0.00 C ATOM 789 CG LEU A 55 -1.431 2.787 -7.419 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.046 3.362 -7.650 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.368 3.198 -8.547 1.00 0.00 C ATOM 0 H LEU A 55 -3.243 0.897 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.212 0.957 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.961 1.025 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.715 0.855 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.817 3.195 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.115 4.445 -7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.594 3.121 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.379 2.934 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.379 4.285 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.022 2.763 -9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.375 2.841 -8.332 1.00 0.00 H new ATOM 803 N ASN A 56 -2.147 -1.375 -8.637 1.00 0.00 N ATOM 804 CA ASN A 56 -1.893 -2.785 -8.860 1.00 0.00 C ATOM 805 C ASN A 56 -0.483 -2.964 -9.377 1.00 0.00 C ATOM 806 O ASN A 56 -0.145 -2.494 -10.463 1.00 0.00 O ATOM 807 CB ASN A 56 -2.901 -3.384 -9.847 1.00 0.00 C ATOM 808 CG ASN A 56 -4.078 -4.050 -9.153 1.00 0.00 C ATOM 809 OD1 ASN A 56 -5.084 -3.408 -8.845 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.968 -5.348 -8.917 1.00 0.00 N ATOM 0 H ASN A 56 -1.924 -0.779 -9.434 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.006 -3.312 -7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.270 -2.597 -10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.395 -4.115 -10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.732 -5.851 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.119 -5.845 -9.187 1.00 0.00 H new ATOM 817 N LEU A 57 0.336 -3.638 -8.596 1.00 0.00 N ATOM 818 CA LEU A 57 1.728 -3.806 -8.930 1.00 0.00 C ATOM 819 C LEU A 57 1.971 -5.256 -9.277 1.00 0.00 C ATOM 820 O LEU A 57 1.192 -6.126 -8.902 1.00 0.00 O ATOM 821 CB LEU A 57 2.638 -3.363 -7.767 1.00 0.00 C ATOM 822 CG LEU A 57 2.691 -1.863 -7.487 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.022 -1.498 -6.869 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.462 -1.051 -8.740 1.00 0.00 C ATOM 0 H LEU A 57 0.055 -4.080 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 57 1.971 -3.177 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.307 -3.869 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.651 -3.709 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 57 1.888 -1.628 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.050 -0.426 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.150 -2.042 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.827 -1.763 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.507 0.011 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.232 -1.290 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.481 -1.288 -9.153 1.00 0.00 H new ATOM 836 N PRO A 58 3.019 -5.535 -10.042 1.00 0.00 N ATOM 837 CA PRO A 58 3.390 -6.902 -10.360 1.00 0.00 C ATOM 838 C PRO A 58 3.779 -7.670 -9.100 1.00 0.00 C ATOM 839 O PRO A 58 4.227 -7.086 -8.114 1.00 0.00 O ATOM 840 CB PRO A 58 4.586 -6.755 -11.310 1.00 0.00 C ATOM 841 CG PRO A 58 5.075 -5.355 -11.142 1.00 0.00 C ATOM 842 CD PRO A 58 3.904 -4.541 -10.665 1.00 0.00 C ATOM 0 HA PRO A 58 2.571 -7.464 -10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.369 -7.474 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.290 -6.944 -12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.893 -5.315 -10.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.460 -4.964 -12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.212 -3.776 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.411 -4.027 -11.490 1.00 0.00 H new ATOM 850 N GLU A 59 3.560 -8.976 -9.142 1.00 0.00 N ATOM 851 CA GLU A 59 3.932 -9.897 -8.056 1.00 0.00 C ATOM 852 C GLU A 59 5.347 -9.643 -7.538 1.00 0.00 C ATOM 853 O GLU A 59 5.653 -9.897 -6.375 1.00 0.00 O ATOM 854 CB GLU A 59 3.850 -11.342 -8.553 1.00 0.00 C ATOM 855 CG GLU A 59 4.790 -11.644 -9.712 1.00 0.00 C ATOM 856 CD GLU A 59 4.865 -13.119 -10.038 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.620 -13.844 -9.359 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.178 -13.564 -10.983 1.00 0.00 O ATOM 0 H GLU A 59 3.115 -9.439 -9.934 1.00 0.00 H new ATOM 0 HA GLU A 59 3.232 -9.725 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.078 -12.015 -7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.826 -11.553 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.458 -11.098 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.788 -11.279 -9.469 1.00 0.00 H new ATOM 865 N THR A 60 6.195 -9.145 -8.417 1.00 0.00 N ATOM 866 CA THR A 60 7.602 -8.948 -8.120 1.00 0.00 C ATOM 867 C THR A 60 7.899 -7.479 -7.799 1.00 0.00 C ATOM 868 O THR A 60 9.046 -7.033 -7.864 1.00 0.00 O ATOM 869 CB THR A 60 8.478 -9.432 -9.300 1.00 0.00 C ATOM 870 OG1 THR A 60 9.870 -9.234 -9.017 1.00 0.00 O ATOM 871 CG2 THR A 60 8.103 -8.711 -10.587 1.00 0.00 C ATOM 0 H THR A 60 5.927 -8.865 -9.360 1.00 0.00 H new ATOM 0 HA THR A 60 7.846 -9.541 -7.239 1.00 0.00 H new ATOM 0 HB THR A 60 8.296 -10.499 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.975 -8.475 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.733 -9.069 -11.401 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.057 -8.909 -10.823 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.250 -7.639 -10.459 1.00 0.00 H new ATOM 879 N ALA A 61 6.865 -6.729 -7.446 1.00 0.00 N ATOM 880 CA ALA A 61 7.034 -5.329 -7.091 1.00 0.00 C ATOM 881 C ALA A 61 7.313 -5.201 -5.607 1.00 0.00 C ATOM 882 O ALA A 61 7.033 -6.124 -4.836 1.00 0.00 O ATOM 883 CB ALA A 61 5.804 -4.526 -7.466 1.00 0.00 C ATOM 0 H ALA A 61 5.903 -7.066 -7.398 1.00 0.00 H new ATOM 0 HA ALA A 61 7.882 -4.931 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.953 -3.482 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.636 -4.598 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.937 -4.920 -6.936 1.00 0.00 H new ATOM 889 N ASN A 62 7.861 -4.070 -5.200 1.00 0.00 N ATOM 890 CA ASN A 62 8.223 -3.877 -3.807 1.00 0.00 C ATOM 891 C ASN A 62 8.084 -2.429 -3.374 1.00 0.00 C ATOM 892 O ASN A 62 8.614 -2.047 -2.337 1.00 0.00 O ATOM 893 CB ASN A 62 9.659 -4.331 -3.553 1.00 0.00 C ATOM 894 CG ASN A 62 10.693 -3.474 -4.272 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.439 -2.936 -5.353 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.865 -3.344 -3.674 1.00 0.00 N ATOM 0 H ASN A 62 8.064 -3.277 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 62 7.531 -4.482 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.857 -4.306 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.768 -5.367 -3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.599 -2.783 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.035 -3.805 -2.780 1.00 0.00 H new ATOM 903 N SER A 63 7.377 -1.622 -4.149 1.00 0.00 N ATOM 904 CA SER A 63 7.235 -0.218 -3.806 1.00 0.00 C ATOM 905 C SER A 63 6.217 0.484 -4.702 1.00 0.00 C ATOM 906 O SER A 63 6.247 0.333 -5.924 1.00 0.00 O ATOM 907 CB SER A 63 8.596 0.476 -3.923 1.00 0.00 C ATOM 908 OG SER A 63 9.193 0.223 -5.186 1.00 0.00 O ATOM 0 H SER A 63 6.901 -1.909 -5.004 1.00 0.00 H new ATOM 0 HA SER A 63 6.871 -0.156 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.473 1.550 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.256 0.126 -3.129 1.00 0.00 H new ATOM 0 HG SER A 63 8.498 0.196 -5.877 1.00 0.00 H new ATOM 914 N VAL A 64 5.334 1.264 -4.096 1.00 0.00 N ATOM 915 CA VAL A 64 4.351 2.035 -4.853 1.00 0.00 C ATOM 916 C VAL A 64 4.567 3.529 -4.639 1.00 0.00 C ATOM 917 O VAL A 64 4.839 3.972 -3.513 1.00 0.00 O ATOM 918 CB VAL A 64 2.885 1.686 -4.482 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.672 1.752 -2.996 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.931 2.606 -5.185 1.00 0.00 C ATOM 0 H VAL A 64 5.276 1.382 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 64 4.503 1.770 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 64 2.692 0.664 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.636 1.503 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.335 1.042 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.890 2.759 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.908 2.346 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.135 3.636 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.056 2.505 -6.263 1.00 0.00 H new ATOM 930 N THR A 65 4.486 4.287 -5.726 1.00 0.00 N ATOM 931 CA THR A 65 4.437 5.721 -5.662 1.00 0.00 C ATOM 932 C THR A 65 2.983 6.187 -5.683 1.00 0.00 C ATOM 933 O THR A 65 2.325 6.192 -6.726 1.00 0.00 O ATOM 934 CB THR A 65 5.199 6.311 -6.850 1.00 0.00 C ATOM 935 OG1 THR A 65 6.597 6.013 -6.726 1.00 0.00 O ATOM 936 CG2 THR A 65 4.991 7.819 -6.965 1.00 0.00 C ATOM 0 H THR A 65 4.453 3.912 -6.674 1.00 0.00 H new ATOM 0 HA THR A 65 4.902 6.062 -4.737 1.00 0.00 H new ATOM 0 HB THR A 65 4.807 5.856 -7.759 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.081 6.391 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.549 8.199 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.930 8.031 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.345 8.305 -6.056 1.00 0.00 H new ATOM 944 N LEU A 66 2.484 6.536 -4.517 1.00 0.00 N ATOM 945 CA LEU A 66 1.138 7.050 -4.368 1.00 0.00 C ATOM 946 C LEU A 66 1.123 8.508 -4.779 1.00 0.00 C ATOM 947 O LEU A 66 2.058 9.246 -4.461 1.00 0.00 O ATOM 948 CB LEU A 66 0.678 6.947 -2.919 1.00 0.00 C ATOM 949 CG LEU A 66 1.434 5.951 -2.050 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.220 6.270 -0.595 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.984 4.538 -2.359 1.00 0.00 C ATOM 0 H LEU A 66 3.002 6.471 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 66 0.467 6.463 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.759 7.933 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.378 6.678 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 66 2.499 6.027 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.764 5.552 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.584 7.276 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.157 6.213 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.532 3.836 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.084 4.445 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.179 4.315 -3.408 1.00 0.00 H new ATOM 963 N SER A 67 0.071 8.930 -5.453 1.00 0.00 N ATOM 964 CA SER A 67 -0.007 10.290 -5.945 1.00 0.00 C ATOM 965 C SER A 67 -1.403 10.852 -5.704 1.00 0.00 C ATOM 966 O SER A 67 -2.300 10.129 -5.264 1.00 0.00 O ATOM 967 CB SER A 67 0.350 10.331 -7.437 1.00 0.00 C ATOM 968 OG SER A 67 0.544 11.663 -7.888 1.00 0.00 O ATOM 0 H SER A 67 -0.740 8.351 -5.672 1.00 0.00 H new ATOM 0 HA SER A 67 0.710 10.909 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.256 9.751 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.446 9.862 -8.016 1.00 0.00 H new ATOM 0 HG SER A 67 0.772 11.656 -8.841 1.00 0.00 H new ATOM 974 N ASP A 68 -1.565 12.145 -5.972 1.00 0.00 N ATOM 975 CA ASP A 68 -2.836 12.842 -5.781 1.00 0.00 C ATOM 976 C ASP A 68 -3.278 12.805 -4.327 1.00 0.00 C ATOM 977 O ASP A 68 -4.470 12.793 -4.033 1.00 0.00 O ATOM 978 CB ASP A 68 -3.936 12.262 -6.675 1.00 0.00 C ATOM 979 CG ASP A 68 -3.795 12.689 -8.119 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.135 13.850 -8.433 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.338 11.871 -8.947 1.00 0.00 O ATOM 0 H ASP A 68 -0.818 12.741 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.671 13.881 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.910 11.174 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.909 12.578 -6.299 1.00 0.00 H new ATOM 986 N LEU A 69 -2.311 12.793 -3.415 1.00 0.00 N ATOM 987 CA LEU A 69 -2.618 12.825 -1.991 1.00 0.00 C ATOM 988 C LEU A 69 -3.065 14.229 -1.592 1.00 0.00 C ATOM 989 O LEU A 69 -3.197 15.115 -2.439 1.00 0.00 O ATOM 990 CB LEU A 69 -1.411 12.425 -1.131 1.00 0.00 C ATOM 991 CG LEU A 69 -0.545 11.284 -1.641 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.624 11.086 -0.707 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.363 10.014 -1.716 1.00 0.00 C ATOM 0 H LEU A 69 -1.316 12.762 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.416 12.103 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.777 13.303 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.776 12.156 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.175 11.527 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.246 10.268 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.215 12.001 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.256 10.846 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.738 9.200 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.740 9.765 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.202 10.161 -2.396 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.318 14.422 -0.312 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.698 15.725 0.197 1.00 0.00 C ATOM 1007 C GLN A 70 -2.770 16.121 1.343 1.00 0.00 C ATOM 1008 O GLN A 70 -2.652 15.387 2.326 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.153 15.684 0.663 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.721 17.039 1.059 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.049 17.914 -0.137 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.412 17.828 -1.189 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.057 18.757 0.014 1.00 0.00 N ATOM 0 H GLN A 70 -3.267 13.690 0.396 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.606 16.471 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.766 15.265 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.231 15.007 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.623 16.890 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.003 17.556 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.559 18.798 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.332 19.366 -0.756 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.073 17.263 1.211 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.108 17.733 2.216 1.00 0.00 C ATOM 1024 C PRO A 71 -1.732 17.975 3.588 1.00 0.00 C ATOM 1025 O PRO A 71 -2.807 18.573 3.701 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.577 19.047 1.647 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.519 19.439 0.559 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.157 18.175 0.059 1.00 0.00 C ATOM 0 HA PRO A 71 -0.337 16.981 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.532 19.816 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.435 18.923 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.274 20.131 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.989 19.949 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.190 18.341 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.630 17.776 -0.807 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.048 17.503 4.626 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.503 17.717 5.985 1.00 0.00 C ATOM 1038 C GLY A 72 -2.460 16.641 6.446 1.00 0.00 C ATOM 1039 O GLY A 72 -3.186 16.820 7.424 1.00 0.00 O ATOM 0 H GLY A 72 -0.180 16.972 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.643 17.746 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.992 18.689 6.053 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.467 15.520 5.741 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.378 14.432 6.051 1.00 0.00 C ATOM 1045 C VAL A 73 -2.618 13.132 6.255 1.00 0.00 C ATOM 1046 O VAL A 73 -1.590 12.894 5.616 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.413 14.230 4.931 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.507 13.293 5.359 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.046 15.526 4.508 1.00 0.00 C ATOM 0 H VAL A 73 -1.850 15.341 4.949 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.896 14.703 6.971 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.865 13.805 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.222 13.172 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.078 12.324 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.017 13.703 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.770 15.336 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.552 15.979 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.276 16.204 4.141 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.129 12.299 7.148 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.538 11.017 7.433 1.00 0.00 C ATOM 1061 C GLN A 74 -2.962 10.012 6.382 1.00 0.00 C ATOM 1062 O GLN A 74 -4.155 9.793 6.169 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.000 10.544 8.799 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.052 9.543 9.443 1.00 0.00 C ATOM 1065 CD GLN A 74 -0.771 10.187 9.936 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.776 11.328 10.391 1.00 0.00 O ATOM 1067 NE2 GLN A 74 0.344 9.481 9.816 1.00 0.00 N ATOM 0 H GLN A 74 -3.967 12.501 7.693 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.452 11.110 7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.108 11.406 9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.986 10.090 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.555 9.058 10.279 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.808 8.763 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.311 8.536 9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.236 9.883 10.106 1.00 0.00 H new ATOM 1076 N TYR A 75 -1.995 9.417 5.721 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.282 8.453 4.687 1.00 0.00 C ATOM 1078 C TYR A 75 -1.996 7.040 5.144 1.00 0.00 C ATOM 1079 O TYR A 75 -0.863 6.682 5.460 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.518 8.787 3.414 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.369 9.587 2.465 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.559 10.950 2.647 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.019 8.965 1.409 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.368 11.673 1.795 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.832 9.680 0.558 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.002 11.031 0.754 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.821 11.741 -0.091 1.00 0.00 O ATOM 0 H TYR A 75 -1.002 9.585 5.882 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.348 8.509 4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.618 9.350 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.194 7.866 2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.067 11.451 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.886 7.905 1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.503 12.734 1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.334 9.183 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.189 11.140 -0.772 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.054 6.260 5.199 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.973 4.860 5.552 1.00 0.00 C ATOM 1099 C ASN A 76 -2.770 4.036 4.284 1.00 0.00 C ATOM 1100 O ASN A 76 -3.703 3.865 3.493 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.268 4.433 6.243 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.153 3.088 6.927 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.275 2.040 6.293 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -3.948 3.113 8.235 1.00 0.00 N ATOM 0 H ASN A 76 -4.001 6.582 4.999 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.135 4.698 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.547 5.187 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.071 4.394 5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.885 2.240 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.853 4.006 8.719 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.550 3.572 4.071 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.243 2.733 2.923 1.00 0.00 C ATOM 1113 C ILE A 77 -1.389 1.276 3.301 1.00 0.00 C ATOM 1114 O ILE A 77 -0.683 0.766 4.173 1.00 0.00 O ATOM 1115 CB ILE A 77 0.183 2.964 2.366 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.395 4.400 1.908 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.484 2.034 1.201 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.857 5.343 2.997 1.00 0.00 C ATOM 0 H ILE A 77 -0.754 3.762 4.679 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.950 3.007 2.140 1.00 0.00 H new ATOM 0 HB ILE A 77 0.864 2.751 3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.130 4.407 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.539 4.777 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.493 2.224 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.407 0.999 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.232 2.212 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.983 6.343 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.114 5.371 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.808 4.995 3.400 1.00 0.00 H new ATOM 1130 N THR A 78 -2.327 0.626 2.658 1.00 0.00 N ATOM 1131 CA THR A 78 -2.582 -0.764 2.884 1.00 0.00 C ATOM 1132 C THR A 78 -2.112 -1.587 1.682 1.00 0.00 C ATOM 1133 O THR A 78 -2.640 -1.430 0.570 1.00 0.00 O ATOM 1134 CB THR A 78 -4.082 -0.978 3.116 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.531 -0.159 4.208 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.394 -2.437 3.412 1.00 0.00 C ATOM 0 H THR A 78 -2.935 1.054 1.960 1.00 0.00 H new ATOM 0 HA THR A 78 -2.032 -1.092 3.766 1.00 0.00 H new ATOM 0 HB THR A 78 -4.606 -0.694 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.491 -0.300 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.466 -2.555 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.083 -3.054 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.857 -2.749 4.308 1.00 0.00 H new ATOM 1144 N ILE A 79 -1.119 -2.456 1.895 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.607 -3.291 0.797 1.00 0.00 C ATOM 1146 C ILE A 79 -1.298 -4.653 0.834 1.00 0.00 C ATOM 1147 O ILE A 79 -1.566 -5.196 1.901 1.00 0.00 O ATOM 1148 CB ILE A 79 0.938 -3.543 0.812 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.787 -2.296 1.020 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.390 -4.157 -0.486 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.435 -1.127 0.140 1.00 0.00 C ATOM 0 H ILE A 79 -0.661 -2.600 2.795 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.824 -2.727 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 79 1.088 -4.206 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.699 -1.986 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.832 -2.555 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.467 -4.324 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.880 -5.108 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.151 -3.484 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.096 -0.290 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.552 -1.411 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.402 -0.832 0.323 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.594 -5.184 -0.331 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.243 -6.474 -0.463 1.00 0.00 C ATOM 1165 C TYR A 80 -1.429 -7.363 -1.395 1.00 0.00 C ATOM 1166 O TYR A 80 -1.335 -7.081 -2.590 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.642 -6.314 -1.072 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.572 -5.368 -0.343 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.382 -5.827 0.686 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.672 -4.027 -0.711 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -6.259 -4.981 1.335 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.552 -3.180 -0.071 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.342 -3.660 0.951 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.231 -2.818 1.578 1.00 0.00 O ATOM 0 H TYR A 80 -1.390 -4.731 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.319 -6.918 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.533 -5.967 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.114 -7.296 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.325 -6.863 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.051 -3.646 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.877 -5.352 2.139 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.622 -2.144 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.361 -3.111 2.504 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.845 -8.426 -0.869 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.150 -9.387 -1.713 1.00 0.00 C ATOM 1186 C ALA A 81 -1.134 -10.446 -2.168 1.00 0.00 C ATOM 1187 O ALA A 81 -1.781 -11.095 -1.343 1.00 0.00 O ATOM 1188 CB ALA A 81 1.032 -10.019 -0.974 1.00 0.00 C ATOM 0 H ALA A 81 -0.837 -8.646 0.127 1.00 0.00 H new ATOM 0 HA ALA A 81 0.255 -8.871 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.532 -10.732 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.736 -9.240 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.671 -10.535 -0.084 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.266 -10.612 -3.475 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.299 -11.503 -3.998 1.00 0.00 C ATOM 1196 C VAL A 82 -1.717 -12.631 -4.834 1.00 0.00 C ATOM 1197 O VAL A 82 -0.839 -12.402 -5.662 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.367 -10.736 -4.821 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.762 -9.996 -5.993 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.458 -11.673 -5.311 1.00 0.00 C ATOM 0 H VAL A 82 -0.688 -10.156 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.784 -11.940 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.806 -9.999 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.548 -9.474 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.032 -9.273 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.269 -10.706 -6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.193 -11.108 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.018 -12.444 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.947 -12.141 -4.456 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.213 -13.845 -4.584 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.882 -15.023 -5.369 1.00 0.00 C ATOM 1212 C GLU A 83 -3.056 -15.367 -6.277 1.00 0.00 C ATOM 1213 O GLU A 83 -4.127 -14.771 -6.150 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.609 -16.248 -4.504 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.942 -15.981 -3.181 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.926 -17.227 -2.324 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.997 -17.605 -1.806 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.143 -17.859 -2.194 1.00 0.00 O ATOM 0 H GLU A 83 -2.863 -14.033 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.980 -14.782 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.555 -16.755 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.985 -16.938 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.078 -15.636 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.468 -15.182 -2.659 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.856 -16.317 -7.181 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.909 -16.754 -8.100 1.00 0.00 C ATOM 1227 C GLU A 84 -5.233 -17.022 -7.373 1.00 0.00 C ATOM 1228 O GLU A 84 -6.304 -16.680 -7.876 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.480 -18.032 -8.823 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.097 -17.958 -9.442 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.705 -19.235 -10.147 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.681 -20.298 -9.493 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.404 -19.179 -11.357 1.00 0.00 O ATOM 0 H GLU A 84 -1.969 -16.805 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.064 -15.945 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.507 -18.862 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.205 -18.255 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.065 -17.131 -10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.366 -17.738 -8.664 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.154 -17.616 -6.185 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.354 -18.085 -5.495 1.00 0.00 C ATOM 1242 C ASN A 85 -6.652 -17.318 -4.208 1.00 0.00 C ATOM 1243 O ASN A 85 -7.814 -17.190 -3.821 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.228 -19.574 -5.169 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.204 -20.448 -6.408 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -5.144 -20.712 -6.977 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -7.371 -20.910 -6.827 1.00 0.00 N ATOM 0 H ASN A 85 -4.282 -17.783 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.184 -17.909 -6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.316 -19.740 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.062 -19.874 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.416 -21.509 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.225 -20.667 -6.326 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.627 -16.804 -3.544 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.812 -16.251 -2.205 1.00 0.00 C ATOM 1256 C GLN A 86 -5.139 -14.898 -2.059 1.00 0.00 C ATOM 1257 O GLN A 86 -4.493 -14.417 -2.980 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.265 -17.215 -1.152 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.026 -18.526 -1.075 1.00 0.00 C ATOM 1260 CD GLN A 86 -5.430 -19.484 -0.072 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.557 -20.284 -0.406 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -5.901 -19.417 1.161 1.00 0.00 N ATOM 0 H GLN A 86 -4.673 -16.757 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.883 -16.115 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.218 -17.425 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.295 -16.729 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.063 -18.325 -0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.035 -18.995 -2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.625 -18.738 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.540 -20.044 1.880 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.319 -14.287 -0.899 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.700 -13.008 -0.587 1.00 0.00 C ATOM 1273 C GLU A 87 -4.104 -13.052 0.811 1.00 0.00 C ATOM 1274 O GLU A 87 -4.708 -13.599 1.737 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.731 -11.884 -0.688 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.127 -11.553 -2.117 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.320 -10.629 -2.200 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.244 -9.496 -1.682 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.346 -11.031 -2.794 1.00 0.00 O ATOM 0 H GLU A 87 -5.898 -14.663 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.904 -12.814 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.622 -12.168 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.329 -10.989 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.281 -11.091 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.352 -12.477 -2.649 1.00 0.00 H new ATOM 1286 N SER A 88 -2.912 -12.499 0.954 1.00 0.00 N ATOM 1287 CA SER A 88 -2.226 -12.478 2.235 1.00 0.00 C ATOM 1288 C SER A 88 -2.806 -11.399 3.143 1.00 0.00 C ATOM 1289 O SER A 88 -3.654 -10.610 2.718 1.00 0.00 O ATOM 1290 CB SER A 88 -0.736 -12.228 2.016 1.00 0.00 C ATOM 1291 OG SER A 88 -0.192 -13.148 1.086 1.00 0.00 O ATOM 0 H SER A 88 -2.396 -12.056 0.194 1.00 0.00 H new ATOM 0 HA SER A 88 -2.365 -13.444 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.585 -11.211 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.207 -12.312 2.966 1.00 0.00 H new ATOM 0 HG SER A 88 0.763 -12.964 0.964 1.00 0.00 H new ATOM 1297 N THR A 89 -2.354 -11.368 4.390 1.00 0.00 N ATOM 1298 CA THR A 89 -2.774 -10.343 5.329 1.00 0.00 C ATOM 1299 C THR A 89 -2.360 -8.955 4.833 1.00 0.00 C ATOM 1300 O THR A 89 -1.424 -8.818 4.045 1.00 0.00 O ATOM 1301 CB THR A 89 -2.184 -10.613 6.728 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.794 -10.942 6.626 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.925 -11.746 7.416 1.00 0.00 C ATOM 0 H THR A 89 -1.694 -12.045 4.773 1.00 0.00 H new ATOM 0 HA THR A 89 -3.861 -10.373 5.402 1.00 0.00 H new ATOM 0 HB THR A 89 -2.297 -9.707 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.431 -11.109 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.492 -11.919 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.977 -11.480 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.839 -12.653 6.818 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.072 -7.907 5.255 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.824 -6.559 4.769 1.00 0.00 C ATOM 1313 C PRO A 90 -1.663 -5.859 5.472 1.00 0.00 C ATOM 1314 O PRO A 90 -1.443 -6.022 6.675 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.140 -5.845 5.072 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.675 -6.533 6.281 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.184 -7.952 6.224 1.00 0.00 C ATOM 0 HA PRO A 90 -2.536 -6.558 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.980 -4.783 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.833 -5.920 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.331 -6.041 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.764 -6.501 6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.848 -8.297 7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.970 -8.633 5.898 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.919 -5.096 4.691 1.00 0.00 N ATOM 1326 CA VAL A 91 0.065 -4.160 5.204 1.00 0.00 C ATOM 1327 C VAL A 91 -0.637 -2.883 5.580 1.00 0.00 C ATOM 1328 O VAL A 91 -1.369 -2.341 4.759 1.00 0.00 O ATOM 1329 CB VAL A 91 1.084 -3.774 4.131 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.758 -2.465 4.510 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.110 -4.865 3.911 1.00 0.00 C ATOM 0 H VAL A 91 -0.982 -5.109 3.673 1.00 0.00 H new ATOM 0 HA VAL A 91 0.565 -4.637 6.047 1.00 0.00 H new ATOM 0 HB VAL A 91 0.552 -3.643 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.483 -2.194 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.007 -1.680 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.268 -2.582 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.815 -4.551 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.647 -5.052 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.607 -5.778 3.592 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.408 -2.389 6.781 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.965 -1.111 7.166 1.00 0.00 C ATOM 1343 C VAL A 92 0.140 -0.186 7.670 1.00 0.00 C ATOM 1344 O VAL A 92 0.679 -0.379 8.761 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.049 -1.262 8.251 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.825 0.028 8.384 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.987 -2.421 7.936 1.00 0.00 C ATOM 0 H VAL A 92 0.153 -2.848 7.498 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.432 -0.678 6.281 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.558 -1.482 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.590 -0.085 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.146 0.834 8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.300 0.267 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.741 -2.502 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.476 -2.243 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.416 -3.348 7.885 1.00 0.00 H new ATOM 1357 N ILE A 93 0.487 0.806 6.861 1.00 0.00 N ATOM 1358 CA ILE A 93 1.510 1.781 7.225 1.00 0.00 C ATOM 1359 C ILE A 93 0.982 3.198 7.048 1.00 0.00 C ATOM 1360 O ILE A 93 0.610 3.598 5.948 1.00 0.00 O ATOM 1361 CB ILE A 93 2.802 1.604 6.391 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.478 1.420 4.913 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.609 0.426 6.910 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.659 1.683 4.019 1.00 0.00 C ATOM 0 H ILE A 93 0.072 0.958 5.942 1.00 0.00 H new ATOM 0 HA ILE A 93 1.757 1.609 8.273 1.00 0.00 H new ATOM 0 HB ILE A 93 3.400 2.510 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.123 0.403 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.664 2.091 4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.514 0.314 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.880 0.601 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.013 -0.484 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.368 1.536 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.000 2.709 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.466 0.995 4.270 1.00 0.00 H new ATOM 1376 N GLN A 94 0.934 3.957 8.131 1.00 0.00 N ATOM 1377 CA GLN A 94 0.382 5.301 8.074 1.00 0.00 C ATOM 1378 C GLN A 94 1.486 6.356 8.077 1.00 0.00 C ATOM 1379 O GLN A 94 2.398 6.328 8.904 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.586 5.543 9.237 1.00 0.00 C ATOM 1381 CG GLN A 94 0.055 5.413 10.611 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.850 5.871 11.739 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.150 5.681 11.579 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -0.382 6.384 12.755 1.00 0.00 N flip ATOM 0 H GLN A 94 1.267 3.669 9.051 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.169 5.389 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.013 6.541 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.411 4.834 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.334 4.373 10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.975 5.997 10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.626 6.514 12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.002 6.679 13.509 1.00 0.00 H new ATOM 1393 N GLN A 95 1.399 7.275 7.133 1.00 0.00 N ATOM 1394 CA GLN A 95 2.330 8.387 7.049 1.00 0.00 C ATOM 1395 C GLN A 95 1.590 9.655 6.647 1.00 0.00 C ATOM 1396 O GLN A 95 0.847 9.654 5.671 1.00 0.00 O ATOM 1397 CB GLN A 95 3.426 8.085 6.025 1.00 0.00 C ATOM 1398 CG GLN A 95 4.824 8.013 6.619 1.00 0.00 C ATOM 1399 CD GLN A 95 5.229 9.270 7.374 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.662 10.408 7.002 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.032 9.213 8.302 1.00 0.00 N flip ATOM 0 H GLN A 95 0.684 7.273 6.405 1.00 0.00 H new ATOM 0 HA GLN A 95 2.789 8.532 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.201 7.137 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.410 8.854 5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.879 7.159 7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.541 7.833 5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.449 8.319 8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.281 10.060 8.813 1.00 0.00 H new ATOM 1410 N GLU A 96 1.802 10.733 7.386 1.00 0.00 N ATOM 1411 CA GLU A 96 1.145 11.996 7.087 1.00 0.00 C ATOM 1412 C GLU A 96 1.944 12.767 6.059 1.00 0.00 C ATOM 1413 O GLU A 96 3.169 12.841 6.128 1.00 0.00 O ATOM 1414 CB GLU A 96 0.974 12.846 8.349 1.00 0.00 C ATOM 1415 CG GLU A 96 0.357 14.213 8.085 1.00 0.00 C ATOM 1416 CD GLU A 96 0.290 15.085 9.319 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.699 14.987 10.073 1.00 0.00 O ATOM 1418 OE2 GLU A 96 1.225 15.886 9.536 1.00 0.00 O ATOM 0 H GLU A 96 2.422 10.759 8.195 1.00 0.00 H new ATOM 0 HA GLU A 96 0.156 11.772 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.348 12.305 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.947 12.981 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.938 14.725 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.649 14.080 7.687 1.00 0.00 H new ATOM 1425 N THR A 97 1.232 13.319 5.101 1.00 0.00 N ATOM 1426 CA THR A 97 1.833 14.094 4.044 1.00 0.00 C ATOM 1427 C THR A 97 2.454 15.372 4.603 1.00 0.00 C ATOM 1428 O THR A 97 1.784 16.166 5.268 1.00 0.00 O ATOM 1429 CB THR A 97 0.776 14.431 2.988 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.376 14.988 3.631 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.373 13.180 2.223 1.00 0.00 C ATOM 0 H THR A 97 0.217 13.241 5.035 1.00 0.00 H new ATOM 0 HA THR A 97 2.625 13.506 3.580 1.00 0.00 H new ATOM 0 HB THR A 97 1.195 15.153 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.137 14.968 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.379 13.436 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.248 12.759 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.039 12.447 2.916 1.00 0.00 H new ATOM 1439 N THR A 98 3.739 15.556 4.328 1.00 0.00 N ATOM 1440 CA THR A 98 4.509 16.649 4.907 1.00 0.00 C ATOM 1441 C THR A 98 4.050 17.997 4.362 1.00 0.00 C ATOM 1442 O THR A 98 4.095 19.011 5.056 1.00 0.00 O ATOM 1443 CB THR A 98 6.004 16.465 4.595 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.372 15.094 4.795 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.867 17.354 5.477 1.00 0.00 C ATOM 0 H THR A 98 4.274 14.955 3.701 1.00 0.00 H new ATOM 0 HA THR A 98 4.349 16.633 5.985 1.00 0.00 H new ATOM 0 HB THR A 98 6.170 16.749 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.324 14.978 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.918 17.200 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.604 18.398 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.698 17.102 6.524 1.00 0.00 H new