USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=26 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 :FLIP amide:sc= 0.0965 X(o=-0.13,f=0.092) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc=-0.00484 F(o=-0.97,f=0.092) USER MOD Set 2.1: A 45 SER OG : rot 47:sc= 1.23 USER MOD Set 2.2: A 52 SER OG : rot 29:sc= 1.35 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 24 THR OG1 : rot -85:sc= 1.2 USER MOD Single : A 25 SER OG : rot -17:sc= 0.577 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= -0.0568 USER MOD Single : A 40 TYR OH : rot 57:sc= -3.17! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.98! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0404 F(o=-0.76,f=-0.04) USER MOD Single : A 60 THR OG1 : rot -28:sc= 0.902 USER MOD Single : A 62 ASN : amide:sc= -0.0012 K(o=-0.0012,f=-2.4!) USER MOD Single : A 63 SER OG : rot -24:sc= 1.43 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.56! C(o=-3.6!,f=-7.6!) USER MOD Single : A 75 TYR OH : rot 150:sc= -0.191 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 85 ASN : amide:sc= -0.238 K(o=-0.24,f=-0.86) USER MOD Single : A 86 GLN : amide:sc= -0.0552 K(o=-0.055,f=-0.64) USER MOD Single : A 88 SER OG : rot 85:sc= 1.04 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.198 F(o=-1,f=-0.2) USER MOD Single : A 97 THR OG1 : rot -172:sc= 1.53 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.996 -11.692 4.050 1.00 0.00 N ATOM 142 CA ALA A 12 2.181 -10.317 3.621 1.00 0.00 C ATOM 143 C ALA A 12 3.622 -9.892 3.834 1.00 0.00 C ATOM 144 O ALA A 12 4.322 -10.460 4.674 1.00 0.00 O ATOM 145 CB ALA A 12 1.267 -9.402 4.412 1.00 0.00 C ATOM 0 HA ALA A 12 1.938 -10.247 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.411 -8.372 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.230 -9.693 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.502 -9.482 5.473 1.00 0.00 H new ATOM 151 N PRO A 13 4.090 -8.894 3.075 1.00 0.00 N ATOM 152 CA PRO A 13 5.410 -8.304 3.284 1.00 0.00 C ATOM 153 C PRO A 13 5.525 -7.656 4.658 1.00 0.00 C ATOM 154 O PRO A 13 4.620 -6.932 5.080 1.00 0.00 O ATOM 155 CB PRO A 13 5.499 -7.226 2.197 1.00 0.00 C ATOM 156 CG PRO A 13 4.490 -7.617 1.180 1.00 0.00 C ATOM 157 CD PRO A 13 3.380 -8.263 1.950 1.00 0.00 C ATOM 0 HA PRO A 13 6.203 -9.050 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.286 -6.238 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.499 -7.184 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.132 -6.748 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.915 -8.306 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.647 -7.533 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.843 -8.996 1.348 1.00 0.00 H new ATOM 165 N PRO A 14 6.619 -7.934 5.389 1.00 0.00 N ATOM 166 CA PRO A 14 6.925 -7.245 6.642 1.00 0.00 C ATOM 167 C PRO A 14 6.827 -5.738 6.478 1.00 0.00 C ATOM 168 O PRO A 14 7.166 -5.207 5.415 1.00 0.00 O ATOM 169 CB PRO A 14 8.365 -7.666 6.929 1.00 0.00 C ATOM 170 CG PRO A 14 8.490 -9.005 6.293 1.00 0.00 C ATOM 171 CD PRO A 14 7.627 -8.959 5.064 1.00 0.00 C ATOM 0 HA PRO A 14 6.233 -7.499 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.078 -6.957 6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.559 -7.715 8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.527 -9.219 6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.162 -9.792 6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.203 -8.689 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.166 -9.925 4.861 1.00 0.00 H new ATOM 179 N ASP A 15 6.378 -5.079 7.553 1.00 0.00 N ATOM 180 CA ASP A 15 5.991 -3.662 7.543 1.00 0.00 C ATOM 181 C ASP A 15 6.851 -2.826 6.610 1.00 0.00 C ATOM 182 O ASP A 15 8.018 -2.550 6.898 1.00 0.00 O ATOM 183 CB ASP A 15 6.059 -3.085 8.957 1.00 0.00 C ATOM 184 CG ASP A 15 5.010 -3.676 9.872 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.245 -4.771 10.425 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.941 -3.051 10.040 1.00 0.00 O ATOM 0 H ASP A 15 6.272 -5.520 8.466 1.00 0.00 H new ATOM 0 HA ASP A 15 4.967 -3.619 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.048 -3.271 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.930 -2.004 8.912 1.00 0.00 H new ATOM 191 N PRO A 16 6.272 -2.426 5.469 1.00 0.00 N ATOM 192 CA PRO A 16 6.945 -1.589 4.468 1.00 0.00 C ATOM 193 C PRO A 16 7.228 -0.191 4.989 1.00 0.00 C ATOM 194 O PRO A 16 6.519 0.329 5.852 1.00 0.00 O ATOM 195 CB PRO A 16 5.944 -1.543 3.297 1.00 0.00 C ATOM 196 CG PRO A 16 5.042 -2.697 3.549 1.00 0.00 C ATOM 197 CD PRO A 16 4.915 -2.776 5.039 1.00 0.00 C ATOM 0 HA PRO A 16 7.919 -1.991 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.393 -0.602 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.450 -1.634 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.070 -2.548 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.457 -3.618 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.170 -2.079 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.623 -3.772 5.373 1.00 0.00 H new ATOM 205 N THR A 17 8.273 0.405 4.462 1.00 0.00 N ATOM 206 CA THR A 17 8.706 1.715 4.896 1.00 0.00 C ATOM 207 C THR A 17 8.517 2.731 3.793 1.00 0.00 C ATOM 208 O THR A 17 8.856 2.497 2.632 1.00 0.00 O ATOM 209 CB THR A 17 10.182 1.679 5.334 1.00 0.00 C ATOM 210 OG1 THR A 17 10.407 0.539 6.177 1.00 0.00 O ATOM 211 CG2 THR A 17 10.561 2.946 6.083 1.00 0.00 C ATOM 0 H THR A 17 8.846 -0.002 3.723 1.00 0.00 H new ATOM 0 HA THR A 17 8.095 2.009 5.749 1.00 0.00 H new ATOM 0 HB THR A 17 10.802 1.608 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.347 0.517 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.608 2.893 6.380 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.410 3.810 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.936 3.044 6.971 1.00 0.00 H new ATOM 219 N VAL A 18 7.917 3.835 4.171 1.00 0.00 N ATOM 220 CA VAL A 18 7.746 4.967 3.275 1.00 0.00 C ATOM 221 C VAL A 18 9.066 5.721 3.122 1.00 0.00 C ATOM 222 O VAL A 18 9.629 6.224 4.097 1.00 0.00 O ATOM 223 CB VAL A 18 6.634 5.914 3.774 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.564 7.173 2.918 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.288 5.196 3.787 1.00 0.00 C ATOM 0 H VAL A 18 7.533 3.979 5.105 1.00 0.00 H new ATOM 0 HA VAL A 18 7.443 4.586 2.300 1.00 0.00 H new ATOM 0 HB VAL A 18 6.876 6.214 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.772 7.823 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.518 7.699 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.352 6.899 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.515 5.878 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.043 4.863 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.342 4.333 4.451 1.00 0.00 H new ATOM 235 N ASP A 19 9.551 5.778 1.889 1.00 0.00 N ATOM 236 CA ASP A 19 10.858 6.353 1.584 1.00 0.00 C ATOM 237 C ASP A 19 10.734 7.823 1.200 1.00 0.00 C ATOM 238 O ASP A 19 11.653 8.615 1.419 1.00 0.00 O ATOM 239 CB ASP A 19 11.512 5.564 0.445 1.00 0.00 C ATOM 240 CG ASP A 19 12.888 6.084 0.071 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.839 5.876 0.854 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.030 6.681 -1.018 1.00 0.00 O ATOM 0 H ASP A 19 9.052 5.428 1.071 1.00 0.00 H new ATOM 0 HA ASP A 19 11.481 6.290 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.593 4.517 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.866 5.601 -0.432 1.00 0.00 H new ATOM 247 N GLN A 20 9.585 8.189 0.649 1.00 0.00 N ATOM 248 CA GLN A 20 9.345 9.557 0.204 1.00 0.00 C ATOM 249 C GLN A 20 7.969 10.020 0.639 1.00 0.00 C ATOM 250 O GLN A 20 6.985 9.301 0.469 1.00 0.00 O ATOM 251 CB GLN A 20 9.443 9.665 -1.318 1.00 0.00 C ATOM 252 CG GLN A 20 10.832 9.416 -1.877 1.00 0.00 C ATOM 253 CD GLN A 20 10.877 9.570 -3.384 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.111 10.342 -3.964 1.00 0.00 O ATOM 255 NE2 GLN A 20 11.772 8.843 -4.025 1.00 0.00 N ATOM 0 H GLN A 20 8.800 7.555 0.498 1.00 0.00 H new ATOM 0 HA GLN A 20 10.109 10.189 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.751 8.951 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.116 10.660 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.536 10.112 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.156 8.411 -1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.387 8.216 -3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.849 8.908 -5.040 1.00 0.00 H new ATOM 264 N VAL A 21 7.907 11.213 1.206 1.00 0.00 N ATOM 265 CA VAL A 21 6.645 11.776 1.653 1.00 0.00 C ATOM 266 C VAL A 21 6.491 13.218 1.165 1.00 0.00 C ATOM 267 O VAL A 21 7.130 14.132 1.686 1.00 0.00 O ATOM 268 CB VAL A 21 6.517 11.760 3.193 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.092 12.076 3.607 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.960 10.428 3.778 1.00 0.00 C ATOM 0 H VAL A 21 8.717 11.811 1.368 1.00 0.00 H new ATOM 0 HA VAL A 21 5.859 11.152 1.229 1.00 0.00 H new ATOM 0 HB VAL A 21 7.179 12.530 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.017 12.061 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.816 13.064 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.417 11.330 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.856 10.454 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.340 9.628 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.003 10.245 3.518 1.00 0.00 H new ATOM 280 N ASP A 22 5.653 13.412 0.157 1.00 0.00 N ATOM 281 CA ASP A 22 5.367 14.744 -0.366 1.00 0.00 C ATOM 282 C ASP A 22 3.925 15.133 -0.050 1.00 0.00 C ATOM 283 O ASP A 22 3.289 14.536 0.818 1.00 0.00 O ATOM 284 CB ASP A 22 5.591 14.803 -1.884 1.00 0.00 C ATOM 285 CG ASP A 22 7.050 14.705 -2.282 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.768 15.724 -2.187 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.486 13.612 -2.708 1.00 0.00 O ATOM 0 H ASP A 22 5.155 12.660 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 22 6.050 15.446 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.038 13.992 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.179 15.736 -2.268 1.00 0.00 H new ATOM 292 N ASP A 23 3.423 16.145 -0.744 1.00 0.00 N ATOM 293 CA ASP A 23 2.040 16.584 -0.598 1.00 0.00 C ATOM 294 C ASP A 23 1.073 15.607 -1.253 1.00 0.00 C ATOM 295 O ASP A 23 0.235 14.998 -0.593 1.00 0.00 O ATOM 296 CB ASP A 23 1.865 17.973 -1.226 1.00 0.00 C ATOM 297 CG ASP A 23 2.479 18.083 -2.611 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.720 18.125 -2.707 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.729 18.133 -3.606 1.00 0.00 O ATOM 0 H ASP A 23 3.960 16.684 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 23 1.814 16.626 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.802 18.206 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.318 18.720 -0.574 1.00 0.00 H new ATOM 304 N THR A 24 1.213 15.463 -2.552 1.00 0.00 N ATOM 305 CA THR A 24 0.289 14.698 -3.360 1.00 0.00 C ATOM 306 C THR A 24 0.960 13.435 -3.884 1.00 0.00 C ATOM 307 O THR A 24 0.653 12.953 -4.971 1.00 0.00 O ATOM 308 CB THR A 24 -0.192 15.571 -4.529 1.00 0.00 C ATOM 309 OG1 THR A 24 0.941 16.113 -5.219 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.051 16.713 -4.015 1.00 0.00 C ATOM 0 H THR A 24 1.979 15.878 -3.083 1.00 0.00 H new ATOM 0 HA THR A 24 -0.565 14.399 -2.751 1.00 0.00 H new ATOM 0 HB THR A 24 -0.782 14.955 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.237 16.931 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.385 17.323 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.918 16.309 -3.492 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.467 17.327 -3.329 1.00 0.00 H new ATOM 318 N SER A 25 1.858 12.893 -3.072 1.00 0.00 N ATOM 319 CA SER A 25 2.731 11.793 -3.470 1.00 0.00 C ATOM 320 C SER A 25 3.442 11.224 -2.244 1.00 0.00 C ATOM 321 O SER A 25 4.008 11.969 -1.450 1.00 0.00 O ATOM 322 CB SER A 25 3.782 12.260 -4.491 1.00 0.00 C ATOM 323 OG SER A 25 3.180 12.847 -5.635 1.00 0.00 O ATOM 0 H SER A 25 2.003 13.205 -2.112 1.00 0.00 H new ATOM 0 HA SER A 25 2.112 11.024 -3.932 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.450 12.982 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.394 11.411 -4.797 1.00 0.00 H new ATOM 0 HG SER A 25 2.234 12.595 -5.672 1.00 0.00 H new ATOM 329 N ILE A 26 3.400 9.911 -2.090 1.00 0.00 N ATOM 330 CA ILE A 26 4.109 9.227 -1.001 1.00 0.00 C ATOM 331 C ILE A 26 4.572 7.867 -1.497 1.00 0.00 C ATOM 332 O ILE A 26 3.845 7.205 -2.214 1.00 0.00 O ATOM 333 CB ILE A 26 3.221 9.054 0.268 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.041 10.383 1.003 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.809 8.023 1.218 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.168 10.279 2.235 1.00 0.00 C ATOM 0 H ILE A 26 2.880 9.286 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 26 4.961 9.842 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 26 2.246 8.703 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.020 10.764 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.605 11.111 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.166 7.926 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.880 7.060 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.803 8.342 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.084 11.259 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.176 9.928 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.614 9.576 2.938 1.00 0.00 H new ATOM 348 N VAL A 27 5.765 7.437 -1.135 1.00 0.00 N ATOM 349 CA VAL A 27 6.284 6.194 -1.674 1.00 0.00 C ATOM 350 C VAL A 27 6.495 5.187 -0.575 1.00 0.00 C ATOM 351 O VAL A 27 7.139 5.486 0.422 1.00 0.00 O ATOM 352 CB VAL A 27 7.613 6.391 -2.415 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.132 5.047 -2.903 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.448 7.365 -3.567 1.00 0.00 C ATOM 0 H VAL A 27 6.384 7.919 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 27 5.540 5.831 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 27 8.343 6.817 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.076 5.191 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.288 4.386 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.404 4.600 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.403 7.489 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.709 6.977 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.114 8.329 -3.183 1.00 0.00 H new ATOM 364 N VAL A 28 5.972 3.992 -0.757 1.00 0.00 N ATOM 365 CA VAL A 28 6.108 2.973 0.260 1.00 0.00 C ATOM 366 C VAL A 28 6.800 1.755 -0.328 1.00 0.00 C ATOM 367 O VAL A 28 6.587 1.422 -1.489 1.00 0.00 O ATOM 368 CB VAL A 28 4.745 2.587 0.883 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.699 3.651 0.640 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.271 1.238 0.397 1.00 0.00 C ATOM 0 H VAL A 28 5.455 3.706 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 28 6.717 3.380 1.067 1.00 0.00 H new ATOM 0 HB VAL A 28 4.897 2.514 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.756 3.344 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.026 4.591 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.560 3.786 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.311 1.002 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.158 1.261 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.001 0.476 0.670 1.00 0.00 H new ATOM 380 N ARG A 29 7.637 1.106 0.466 1.00 0.00 N ATOM 381 CA ARG A 29 8.441 -0.007 -0.020 1.00 0.00 C ATOM 382 C ARG A 29 8.301 -1.204 0.899 1.00 0.00 C ATOM 383 O ARG A 29 8.630 -1.134 2.080 1.00 0.00 O ATOM 384 CB ARG A 29 9.915 0.406 -0.120 1.00 0.00 C ATOM 385 CG ARG A 29 10.123 1.811 -0.668 1.00 0.00 C ATOM 386 CD ARG A 29 11.584 2.094 -0.964 1.00 0.00 C ATOM 387 NE ARG A 29 12.035 1.434 -2.186 1.00 0.00 N ATOM 388 CZ ARG A 29 13.307 1.390 -2.579 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.255 1.923 -1.816 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.633 0.816 -3.730 1.00 0.00 N ATOM 0 H ARG A 29 7.778 1.330 1.451 1.00 0.00 H new ATOM 0 HA ARG A 29 8.082 -0.283 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.369 0.341 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.439 -0.305 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.538 1.935 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.751 2.540 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.733 3.170 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.195 1.760 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 29 11.335 0.980 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.008 2.365 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.229 1.890 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.908 0.406 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.609 0.785 -4.026 1.00 0.00 H new ATOM 404 N TRP A 30 7.841 -2.304 0.331 1.00 0.00 N ATOM 405 CA TRP A 30 7.534 -3.508 1.093 1.00 0.00 C ATOM 406 C TRP A 30 8.507 -4.638 0.772 1.00 0.00 C ATOM 407 O TRP A 30 9.077 -4.695 -0.319 1.00 0.00 O ATOM 408 CB TRP A 30 6.081 -3.948 0.829 1.00 0.00 C ATOM 409 CG TRP A 30 5.731 -4.109 -0.613 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.951 -5.200 -1.377 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.052 -3.171 -1.447 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.503 -4.991 -2.652 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.932 -3.756 -2.718 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.546 -1.893 -1.249 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.323 -3.109 -3.782 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.935 -1.255 -2.306 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.828 -1.861 -3.552 1.00 0.00 C ATOM 0 H TRP A 30 7.669 -2.391 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 30 7.645 -3.274 2.152 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.904 -4.894 1.340 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.407 -3.215 1.273 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.416 -6.111 -1.030 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.583 -5.651 -3.426 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.630 -1.410 -0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.244 -3.575 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.531 -0.264 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.341 -1.330 -4.357 1.00 0.00 H new ATOM 428 N SER A 31 8.701 -5.528 1.738 1.00 0.00 N ATOM 429 CA SER A 31 9.577 -6.678 1.563 1.00 0.00 C ATOM 430 C SER A 31 8.754 -7.907 1.175 1.00 0.00 C ATOM 431 O SER A 31 8.178 -8.571 2.033 1.00 0.00 O ATOM 432 CB SER A 31 10.349 -6.942 2.857 1.00 0.00 C ATOM 433 OG SER A 31 10.943 -5.749 3.349 1.00 0.00 O ATOM 0 H SER A 31 8.260 -5.474 2.656 1.00 0.00 H new ATOM 0 HA SER A 31 10.289 -6.469 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.676 -7.354 3.609 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.122 -7.690 2.677 1.00 0.00 H new ATOM 0 HG SER A 31 11.429 -5.943 4.177 1.00 0.00 H new ATOM 439 N ARG A 32 8.702 -8.185 -0.124 1.00 0.00 N ATOM 440 CA ARG A 32 7.857 -9.241 -0.687 1.00 0.00 C ATOM 441 C ARG A 32 8.006 -10.591 0.034 1.00 0.00 C ATOM 442 O ARG A 32 9.035 -10.880 0.655 1.00 0.00 O ATOM 443 CB ARG A 32 8.168 -9.411 -2.174 1.00 0.00 C ATOM 444 CG ARG A 32 8.193 -8.099 -2.942 1.00 0.00 C ATOM 445 CD ARG A 32 9.574 -7.466 -2.948 1.00 0.00 C ATOM 446 NE ARG A 32 10.026 -7.158 -4.304 1.00 0.00 N ATOM 447 CZ ARG A 32 11.307 -7.016 -4.650 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.263 -7.146 -3.737 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.628 -6.753 -5.910 1.00 0.00 N ATOM 0 H ARG A 32 9.248 -7.682 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 32 6.823 -8.925 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.134 -9.904 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.423 -10.070 -2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.871 -8.274 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.479 -7.406 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.557 -6.552 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.285 -8.142 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 32 9.319 -7.045 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.019 -7.355 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.241 -7.037 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.896 -6.659 -6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.607 -6.644 -6.175 1.00 0.00 H new ATOM 463 N PRO A 33 6.966 -11.442 -0.073 1.00 0.00 N ATOM 464 CA PRO A 33 6.861 -12.707 0.647 1.00 0.00 C ATOM 465 C PRO A 33 7.589 -13.842 -0.055 1.00 0.00 C ATOM 466 O PRO A 33 7.959 -13.741 -1.228 1.00 0.00 O ATOM 467 CB PRO A 33 5.342 -12.993 0.638 1.00 0.00 C ATOM 468 CG PRO A 33 4.709 -11.852 -0.095 1.00 0.00 C ATOM 469 CD PRO A 33 5.797 -11.256 -0.925 1.00 0.00 C ATOM 0 HA PRO A 33 7.307 -12.640 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.127 -13.941 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.953 -13.067 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.884 -12.196 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.299 -11.119 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.905 -11.765 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.614 -10.204 -1.143 1.00 0.00 H new ATOM 477 N GLN A 34 7.785 -14.925 0.682 1.00 0.00 N ATOM 478 CA GLN A 34 8.330 -16.153 0.129 1.00 0.00 C ATOM 479 C GLN A 34 7.233 -16.889 -0.637 1.00 0.00 C ATOM 480 O GLN A 34 7.501 -17.763 -1.464 1.00 0.00 O ATOM 481 CB GLN A 34 8.887 -17.016 1.261 1.00 0.00 C ATOM 482 CG GLN A 34 9.466 -18.348 0.816 1.00 0.00 C ATOM 483 CD GLN A 34 9.969 -19.172 1.983 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.222 -19.954 2.574 1.00 0.00 O ATOM 485 NE2 GLN A 34 11.236 -19.003 2.326 1.00 0.00 N ATOM 0 H GLN A 34 7.571 -14.976 1.678 1.00 0.00 H new ATOM 0 HA GLN A 34 9.143 -15.929 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.662 -16.453 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.091 -17.204 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.704 -18.911 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.285 -18.171 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.821 -18.345 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.628 -19.531 3.106 1.00 0.00 H new ATOM 494 N ALA A 35 5.989 -16.517 -0.343 1.00 0.00 N ATOM 495 CA ALA A 35 4.826 -17.048 -1.038 1.00 0.00 C ATOM 496 C ALA A 35 4.858 -16.687 -2.511 1.00 0.00 C ATOM 497 O ALA A 35 5.312 -15.600 -2.883 1.00 0.00 O ATOM 498 CB ALA A 35 3.552 -16.488 -0.424 1.00 0.00 C ATOM 0 H ALA A 35 5.762 -15.839 0.384 1.00 0.00 H new ATOM 0 HA ALA A 35 4.845 -18.133 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.687 -16.891 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.500 -16.770 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.555 -15.401 -0.509 1.00 0.00 H new ATOM 504 N PRO A 36 4.394 -17.591 -3.375 1.00 0.00 N ATOM 505 CA PRO A 36 4.194 -17.264 -4.773 1.00 0.00 C ATOM 506 C PRO A 36 2.938 -16.423 -4.934 1.00 0.00 C ATOM 507 O PRO A 36 1.827 -16.886 -4.689 1.00 0.00 O ATOM 508 CB PRO A 36 4.038 -18.631 -5.442 1.00 0.00 C ATOM 509 CG PRO A 36 3.521 -19.531 -4.369 1.00 0.00 C ATOM 510 CD PRO A 36 4.034 -18.985 -3.061 1.00 0.00 C ATOM 0 HA PRO A 36 5.007 -16.682 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.346 -18.582 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.990 -18.990 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.431 -19.556 -4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.865 -20.554 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.274 -19.035 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.895 -19.549 -2.703 1.00 0.00 H new ATOM 518 N ILE A 37 3.122 -15.191 -5.357 1.00 0.00 N ATOM 519 CA ILE A 37 2.031 -14.239 -5.462 1.00 0.00 C ATOM 520 C ILE A 37 1.883 -13.803 -6.923 1.00 0.00 C ATOM 521 O ILE A 37 2.848 -13.854 -7.683 1.00 0.00 O ATOM 522 CB ILE A 37 2.304 -13.004 -4.559 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.613 -12.345 -4.989 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.341 -13.375 -3.061 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.272 -11.532 -3.909 1.00 0.00 C ATOM 0 H ILE A 37 4.029 -14.819 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 37 1.107 -14.710 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 37 1.481 -12.300 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.305 -13.119 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.419 -11.701 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.535 -12.480 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.382 -13.803 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.132 -14.104 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.195 -11.097 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.600 -10.735 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.500 -12.174 -3.058 1.00 0.00 H new ATOM 537 N THR A 38 0.676 -13.418 -7.321 1.00 0.00 N ATOM 538 CA THR A 38 0.416 -12.991 -8.694 1.00 0.00 C ATOM 539 C THR A 38 0.565 -11.486 -8.887 1.00 0.00 C ATOM 540 O THR A 38 0.913 -11.031 -9.976 1.00 0.00 O ATOM 541 CB THR A 38 -0.986 -13.404 -9.159 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.942 -13.150 -8.126 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.014 -14.860 -9.546 1.00 0.00 C ATOM 0 H THR A 38 -0.141 -13.392 -6.712 1.00 0.00 H new ATOM 0 HA THR A 38 1.171 -13.495 -9.297 1.00 0.00 H new ATOM 0 HB THR A 38 -1.245 -12.811 -10.036 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.834 -13.416 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.018 -15.130 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.309 -15.034 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.735 -15.470 -8.687 1.00 0.00 H new ATOM 551 N GLY A 39 0.293 -10.713 -7.848 1.00 0.00 N ATOM 552 CA GLY A 39 0.379 -9.276 -7.977 1.00 0.00 C ATOM 553 C GLY A 39 0.275 -8.598 -6.642 1.00 0.00 C ATOM 554 O GLY A 39 0.476 -9.239 -5.624 1.00 0.00 O ATOM 0 H GLY A 39 0.017 -11.051 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.324 -9.008 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.417 -8.920 -8.630 1.00 0.00 H new ATOM 558 N TYR A 40 -0.024 -7.307 -6.643 1.00 0.00 N ATOM 559 CA TYR A 40 -0.294 -6.566 -5.415 1.00 0.00 C ATOM 560 C TYR A 40 -1.426 -5.580 -5.617 1.00 0.00 C ATOM 561 O TYR A 40 -1.465 -4.871 -6.622 1.00 0.00 O ATOM 562 CB TYR A 40 0.928 -5.772 -4.953 1.00 0.00 C ATOM 563 CG TYR A 40 1.940 -6.560 -4.160 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.513 -7.703 -4.672 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.330 -6.145 -2.899 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.449 -8.411 -3.963 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.270 -6.846 -2.182 1.00 0.00 C ATOM 568 CZ TYR A 40 3.829 -7.977 -2.720 1.00 0.00 C ATOM 569 OH TYR A 40 4.771 -8.676 -2.011 1.00 0.00 O ATOM 0 H TYR A 40 -0.087 -6.743 -7.491 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.559 -7.308 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.422 -5.353 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.588 -4.932 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.219 -8.049 -5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.889 -5.257 -2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.885 -9.306 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.567 -6.508 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 40 5.593 -8.746 -2.540 1.00 0.00 H new ATOM 579 N ARG A 41 -2.350 -5.544 -4.673 1.00 0.00 N ATOM 580 CA ARG A 41 -3.306 -4.454 -4.604 1.00 0.00 C ATOM 581 C ARG A 41 -2.873 -3.506 -3.518 1.00 0.00 C ATOM 582 O ARG A 41 -2.256 -3.917 -2.555 1.00 0.00 O ATOM 583 CB ARG A 41 -4.694 -4.952 -4.285 1.00 0.00 C ATOM 584 CG ARG A 41 -5.011 -6.273 -4.950 1.00 0.00 C ATOM 585 CD ARG A 41 -5.151 -6.136 -6.460 1.00 0.00 C ATOM 586 NE ARG A 41 -6.133 -5.120 -6.834 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.624 -4.966 -8.061 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.295 -5.809 -9.032 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.466 -3.974 -8.306 1.00 0.00 N ATOM 0 H ARG A 41 -2.458 -6.253 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.335 -3.959 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.797 -5.060 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.424 -4.207 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.223 -6.991 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.936 -6.674 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.183 -5.879 -6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.445 -7.096 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.464 -4.487 -6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.660 -6.584 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.677 -5.682 -9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.733 -3.335 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.847 -3.849 -9.244 1.00 0.00 H new ATOM 603 N ILE A 42 -3.143 -2.242 -3.684 1.00 0.00 N ATOM 604 CA ILE A 42 -2.701 -1.263 -2.702 1.00 0.00 C ATOM 605 C ILE A 42 -3.754 -0.218 -2.418 1.00 0.00 C ATOM 606 O ILE A 42 -3.976 0.658 -3.237 1.00 0.00 O ATOM 607 CB ILE A 42 -1.420 -0.564 -3.187 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.404 -1.604 -3.636 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.841 0.315 -2.088 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.767 -1.030 -4.383 1.00 0.00 C ATOM 0 H ILE A 42 -3.659 -1.858 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.508 -1.809 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.666 0.076 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.037 -2.140 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.904 -2.335 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.065 0.801 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.572 1.073 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.601 -0.299 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.446 -1.834 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.412 -0.519 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.293 -0.320 -3.745 1.00 0.00 H new ATOM 622 N VAL A 43 -4.350 -0.268 -1.233 1.00 0.00 N ATOM 623 CA VAL A 43 -5.380 0.703 -0.879 1.00 0.00 C ATOM 624 C VAL A 43 -4.853 1.691 0.139 1.00 0.00 C ATOM 625 O VAL A 43 -4.619 1.351 1.295 1.00 0.00 O ATOM 626 CB VAL A 43 -6.669 0.055 -0.323 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.619 1.119 0.200 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.358 -0.778 -1.383 1.00 0.00 C ATOM 0 H VAL A 43 -4.143 -0.958 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.639 1.211 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.385 -0.600 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.520 0.644 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.133 1.680 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.886 1.798 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.262 -1.223 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.623 -0.144 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.686 -1.568 -1.718 1.00 0.00 H new ATOM 638 N TYR A 44 -4.675 2.913 -0.302 1.00 0.00 N ATOM 639 CA TYR A 44 -4.261 3.980 0.570 1.00 0.00 C ATOM 640 C TYR A 44 -5.380 4.971 0.709 1.00 0.00 C ATOM 641 O TYR A 44 -5.925 5.472 -0.279 1.00 0.00 O ATOM 642 CB TYR A 44 -2.967 4.642 0.081 1.00 0.00 C ATOM 643 CG TYR A 44 -2.830 4.726 -1.423 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.564 3.587 -2.171 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.953 5.936 -2.093 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.419 3.643 -3.535 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.811 6.004 -3.461 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.545 4.858 -4.178 1.00 0.00 C ATOM 649 OH TYR A 44 -2.403 4.933 -5.537 1.00 0.00 O ATOM 0 H TYR A 44 -4.813 3.193 -1.273 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.037 3.566 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.911 5.649 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.118 4.087 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.469 2.636 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.163 6.836 -1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.209 2.746 -4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.908 6.952 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.523 5.861 -5.828 1.00 0.00 H new ATOM 659 N SER A 45 -5.731 5.206 1.949 1.00 0.00 N ATOM 660 CA SER A 45 -6.870 6.035 2.278 1.00 0.00 C ATOM 661 C SER A 45 -6.553 6.916 3.482 1.00 0.00 C ATOM 662 O SER A 45 -5.957 6.456 4.454 1.00 0.00 O ATOM 663 CB SER A 45 -8.080 5.143 2.573 1.00 0.00 C ATOM 664 OG SER A 45 -9.274 5.903 2.665 1.00 0.00 O ATOM 0 H SER A 45 -5.238 4.830 2.759 1.00 0.00 H new ATOM 0 HA SER A 45 -7.100 6.683 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.183 4.395 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.917 4.604 3.506 1.00 0.00 H new ATOM 0 HG SER A 45 -9.321 6.531 1.914 1.00 0.00 H new ATOM 670 N PRO A 46 -6.929 8.201 3.416 1.00 0.00 N ATOM 671 CA PRO A 46 -6.761 9.140 4.528 1.00 0.00 C ATOM 672 C PRO A 46 -7.608 8.752 5.726 1.00 0.00 C ATOM 673 O PRO A 46 -8.667 8.136 5.584 1.00 0.00 O ATOM 674 CB PRO A 46 -7.247 10.467 3.965 1.00 0.00 C ATOM 675 CG PRO A 46 -7.288 10.289 2.491 1.00 0.00 C ATOM 676 CD PRO A 46 -7.556 8.839 2.253 1.00 0.00 C ATOM 0 HA PRO A 46 -5.730 9.165 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.232 10.721 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.575 11.279 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.068 10.907 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.344 10.590 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.624 8.628 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.118 8.494 1.316 1.00 0.00 H new ATOM 744 N SER A 52 -8.447 8.456 -1.746 1.00 0.00 N ATOM 745 CA SER A 52 -8.180 7.037 -1.545 1.00 0.00 C ATOM 746 C SER A 52 -8.008 6.363 -2.893 1.00 0.00 C ATOM 747 O SER A 52 -8.778 6.610 -3.824 1.00 0.00 O ATOM 748 CB SER A 52 -9.315 6.362 -0.769 1.00 0.00 C ATOM 749 OG SER A 52 -9.691 7.135 0.360 1.00 0.00 O ATOM 0 HA SER A 52 -7.266 6.937 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.176 6.225 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.999 5.370 -0.446 1.00 0.00 H new ATOM 0 HG SER A 52 -9.511 8.082 0.183 1.00 0.00 H new ATOM 755 N THR A 53 -6.997 5.525 -3.007 1.00 0.00 N ATOM 756 CA THR A 53 -6.689 4.895 -4.278 1.00 0.00 C ATOM 757 C THR A 53 -6.139 3.482 -4.077 1.00 0.00 C ATOM 758 O THR A 53 -5.535 3.185 -3.045 1.00 0.00 O ATOM 759 CB THR A 53 -5.679 5.756 -5.067 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.190 7.087 -5.222 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.387 5.162 -6.434 1.00 0.00 C ATOM 0 H THR A 53 -6.377 5.265 -2.240 1.00 0.00 H new ATOM 0 HA THR A 53 -7.614 4.817 -4.850 1.00 0.00 H new ATOM 0 HB THR A 53 -4.748 5.779 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.544 7.629 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.672 5.795 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.968 4.163 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.311 5.102 -7.009 1.00 0.00 H new ATOM 769 N GLU A 54 -6.385 2.618 -5.057 1.00 0.00 N ATOM 770 CA GLU A 54 -5.882 1.263 -5.053 1.00 0.00 C ATOM 771 C GLU A 54 -5.010 1.029 -6.282 1.00 0.00 C ATOM 772 O GLU A 54 -5.504 1.053 -7.412 1.00 0.00 O ATOM 773 CB GLU A 54 -7.044 0.265 -5.042 1.00 0.00 C ATOM 774 CG GLU A 54 -6.609 -1.183 -4.876 1.00 0.00 C ATOM 775 CD GLU A 54 -7.766 -2.155 -4.975 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.834 -1.884 -4.384 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.622 -3.187 -5.661 1.00 0.00 O ATOM 0 H GLU A 54 -6.944 2.847 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.283 1.114 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.726 0.525 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.603 0.362 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.869 -1.426 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.121 -1.303 -3.909 1.00 0.00 H new ATOM 784 N LEU A 55 -3.718 0.816 -6.075 1.00 0.00 N ATOM 785 CA LEU A 55 -2.829 0.534 -7.194 1.00 0.00 C ATOM 786 C LEU A 55 -2.620 -0.959 -7.341 1.00 0.00 C ATOM 787 O LEU A 55 -2.860 -1.722 -6.410 1.00 0.00 O ATOM 788 CB LEU A 55 -1.474 1.276 -7.084 1.00 0.00 C ATOM 789 CG LEU A 55 -1.579 2.787 -7.266 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.211 3.421 -7.436 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.477 3.141 -8.442 1.00 0.00 C ATOM 0 H LEU A 55 -3.268 0.832 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.316 0.913 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.035 1.067 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.790 0.876 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.029 3.190 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.322 4.498 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.395 3.221 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.278 3.000 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.531 4.225 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.067 2.710 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.477 2.743 -8.269 1.00 0.00 H new ATOM 803 N ASN A 56 -2.234 -1.371 -8.533 1.00 0.00 N ATOM 804 CA ASN A 56 -1.951 -2.765 -8.808 1.00 0.00 C ATOM 805 C ASN A 56 -0.526 -2.900 -9.302 1.00 0.00 C ATOM 806 O ASN A 56 -0.187 -2.420 -10.385 1.00 0.00 O ATOM 807 CB ASN A 56 -2.921 -3.331 -9.847 1.00 0.00 C ATOM 808 CG ASN A 56 -2.641 -4.790 -10.164 1.00 0.00 C ATOM 809 OD1 ASN A 56 -3.261 -5.685 -9.414 1.00 0.00 O flip ATOM 810 ND2 ASN A 56 -1.873 -5.110 -11.071 1.00 0.00 N flip ATOM 0 H ASN A 56 -2.108 -0.752 -9.334 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.077 -3.333 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.942 -3.231 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.853 -2.743 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.413 -4.390 -11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.696 -6.096 -11.266 1.00 0.00 H new ATOM 817 N LEU A 57 0.305 -3.545 -8.508 1.00 0.00 N ATOM 818 CA LEU A 57 1.707 -3.677 -8.830 1.00 0.00 C ATOM 819 C LEU A 57 2.001 -5.116 -9.186 1.00 0.00 C ATOM 820 O LEU A 57 1.263 -6.016 -8.800 1.00 0.00 O ATOM 821 CB LEU A 57 2.595 -3.221 -7.657 1.00 0.00 C ATOM 822 CG LEU A 57 2.607 -1.723 -7.356 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.954 -1.324 -6.798 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.284 -0.898 -8.581 1.00 0.00 C ATOM 0 H LEU A 57 0.029 -3.987 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 57 1.934 -3.035 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.271 -3.747 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.618 -3.537 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 57 1.831 -1.525 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.957 -0.255 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.146 -1.878 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.732 -1.551 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.303 0.161 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.023 -1.095 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.292 -1.164 -8.948 1.00 0.00 H new ATOM 836 N PRO A 58 3.054 -5.351 -9.965 1.00 0.00 N ATOM 837 CA PRO A 58 3.471 -6.700 -10.300 1.00 0.00 C ATOM 838 C PRO A 58 3.886 -7.469 -9.050 1.00 0.00 C ATOM 839 O PRO A 58 4.364 -6.890 -8.077 1.00 0.00 O ATOM 840 CB PRO A 58 4.659 -6.509 -11.250 1.00 0.00 C ATOM 841 CG PRO A 58 5.091 -5.089 -11.089 1.00 0.00 C ATOM 842 CD PRO A 58 3.900 -4.321 -10.584 1.00 0.00 C ATOM 0 HA PRO A 58 2.669 -7.281 -10.755 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.470 -7.194 -11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.371 -6.715 -12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.922 -5.016 -10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.438 -4.682 -12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.193 -3.558 -9.863 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.380 -3.811 -11.395 1.00 0.00 H new ATOM 850 N GLU A 59 3.651 -8.773 -9.091 1.00 0.00 N ATOM 851 CA GLU A 59 3.994 -9.711 -8.008 1.00 0.00 C ATOM 852 C GLU A 59 5.398 -9.495 -7.436 1.00 0.00 C ATOM 853 O GLU A 59 5.673 -9.856 -6.295 1.00 0.00 O ATOM 854 CB GLU A 59 3.905 -11.138 -8.539 1.00 0.00 C ATOM 855 CG GLU A 59 4.764 -11.374 -9.772 1.00 0.00 C ATOM 856 CD GLU A 59 4.819 -12.827 -10.190 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.899 -13.288 -10.901 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.802 -13.509 -9.834 1.00 0.00 O ATOM 0 H GLU A 59 3.208 -9.227 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 59 3.283 -9.532 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.210 -11.830 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.866 -11.365 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.374 -10.779 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.776 -11.021 -9.575 1.00 0.00 H new ATOM 865 N THR A 60 6.275 -8.923 -8.236 1.00 0.00 N ATOM 866 CA THR A 60 7.670 -8.762 -7.860 1.00 0.00 C ATOM 867 C THR A 60 7.984 -7.303 -7.503 1.00 0.00 C ATOM 868 O THR A 60 9.140 -6.937 -7.285 1.00 0.00 O ATOM 869 CB THR A 60 8.596 -9.264 -8.998 1.00 0.00 C ATOM 870 OG1 THR A 60 9.978 -9.121 -8.642 1.00 0.00 O ATOM 871 CG2 THR A 60 8.319 -8.517 -10.295 1.00 0.00 C ATOM 0 H THR A 60 6.045 -8.558 -9.160 1.00 0.00 H new ATOM 0 HA THR A 60 7.855 -9.366 -6.971 1.00 0.00 H new ATOM 0 HB THR A 60 8.383 -10.322 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.078 -8.378 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.982 -8.888 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.282 -8.676 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.494 -7.452 -10.146 1.00 0.00 H new ATOM 879 N ALA A 61 6.945 -6.480 -7.406 1.00 0.00 N ATOM 880 CA ALA A 61 7.119 -5.072 -7.071 1.00 0.00 C ATOM 881 C ALA A 61 7.403 -4.924 -5.591 1.00 0.00 C ATOM 882 O ALA A 61 7.064 -5.807 -4.802 1.00 0.00 O ATOM 883 CB ALA A 61 5.883 -4.274 -7.448 1.00 0.00 C ATOM 0 H ALA A 61 5.976 -6.763 -7.554 1.00 0.00 H new ATOM 0 HA ALA A 61 7.965 -4.683 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.034 -3.226 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.706 -4.362 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.021 -4.661 -6.905 1.00 0.00 H new ATOM 889 N ASN A 62 8.026 -3.822 -5.208 1.00 0.00 N ATOM 890 CA ASN A 62 8.358 -3.612 -3.808 1.00 0.00 C ATOM 891 C ASN A 62 8.173 -2.164 -3.384 1.00 0.00 C ATOM 892 O ASN A 62 8.650 -1.773 -2.330 1.00 0.00 O ATOM 893 CB ASN A 62 9.800 -4.041 -3.516 1.00 0.00 C ATOM 894 CG ASN A 62 10.844 -3.112 -4.115 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.633 -2.493 -5.160 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.985 -3.009 -3.454 1.00 0.00 N ATOM 0 H ASN A 62 8.309 -3.069 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 62 7.668 -4.229 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.945 -4.089 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.956 -5.048 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.725 -2.402 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.125 -3.536 -2.592 1.00 0.00 H new ATOM 903 N SER A 63 7.496 -1.359 -4.188 1.00 0.00 N ATOM 904 CA SER A 63 7.282 0.042 -3.834 1.00 0.00 C ATOM 905 C SER A 63 6.143 0.637 -4.654 1.00 0.00 C ATOM 906 O SER A 63 6.096 0.454 -5.865 1.00 0.00 O ATOM 907 CB SER A 63 8.549 0.874 -4.098 1.00 0.00 C ATOM 908 OG SER A 63 9.697 0.312 -3.479 1.00 0.00 O ATOM 0 H SER A 63 7.089 -1.643 -5.079 1.00 0.00 H new ATOM 0 HA SER A 63 7.034 0.073 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.717 0.947 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.399 1.889 -3.729 1.00 0.00 H new ATOM 0 HG SER A 63 9.421 -0.238 -2.717 1.00 0.00 H new ATOM 914 N VAL A 64 5.238 1.355 -4.003 1.00 0.00 N ATOM 915 CA VAL A 64 4.197 2.084 -4.719 1.00 0.00 C ATOM 916 C VAL A 64 4.370 3.582 -4.515 1.00 0.00 C ATOM 917 O VAL A 64 4.655 4.043 -3.397 1.00 0.00 O ATOM 918 CB VAL A 64 2.758 1.685 -4.298 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.565 1.789 -2.811 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.751 2.534 -5.014 1.00 0.00 C ATOM 0 H VAL A 64 5.202 1.449 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 64 4.314 1.817 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 64 2.609 0.642 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.545 1.502 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.267 1.125 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.743 2.816 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.746 2.242 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.916 3.582 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.858 2.395 -6.090 1.00 0.00 H new ATOM 930 N THR A 65 4.243 4.328 -5.605 1.00 0.00 N ATOM 931 CA THR A 65 4.172 5.759 -5.556 1.00 0.00 C ATOM 932 C THR A 65 2.707 6.205 -5.580 1.00 0.00 C ATOM 933 O THR A 65 2.053 6.200 -6.625 1.00 0.00 O ATOM 934 CB THR A 65 4.923 6.337 -6.757 1.00 0.00 C ATOM 935 OG1 THR A 65 6.320 6.029 -6.651 1.00 0.00 O ATOM 936 CG2 THR A 65 4.735 7.845 -6.877 1.00 0.00 C ATOM 0 H THR A 65 4.187 3.942 -6.548 1.00 0.00 H new ATOM 0 HA THR A 65 4.631 6.122 -4.636 1.00 0.00 H new ATOM 0 HB THR A 65 4.509 5.880 -7.656 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.796 6.400 -7.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.285 8.213 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.676 8.071 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.109 8.331 -5.976 1.00 0.00 H new ATOM 944 N LEU A 66 2.201 6.549 -4.414 1.00 0.00 N ATOM 945 CA LEU A 66 0.844 7.043 -4.262 1.00 0.00 C ATOM 946 C LEU A 66 0.802 8.492 -4.698 1.00 0.00 C ATOM 947 O LEU A 66 1.736 9.247 -4.410 1.00 0.00 O ATOM 948 CB LEU A 66 0.406 6.951 -2.806 1.00 0.00 C ATOM 949 CG LEU A 66 1.175 5.957 -1.947 1.00 0.00 C ATOM 950 CD1 LEU A 66 0.953 6.253 -0.491 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.747 4.541 -2.275 1.00 0.00 C ATOM 0 H LEU A 66 2.721 6.494 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 66 0.173 6.439 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.497 7.939 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.651 6.685 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 66 2.239 6.053 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.507 5.536 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.300 7.262 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.110 6.176 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.304 3.839 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.320 4.429 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.948 4.334 -3.326 1.00 0.00 H new ATOM 963 N SER A 67 -0.275 8.888 -5.355 1.00 0.00 N ATOM 964 CA SER A 67 -0.345 10.212 -5.942 1.00 0.00 C ATOM 965 C SER A 67 -1.717 10.834 -5.711 1.00 0.00 C ATOM 966 O SER A 67 -2.653 10.155 -5.280 1.00 0.00 O ATOM 967 CB SER A 67 -0.030 10.135 -7.439 1.00 0.00 C ATOM 968 OG SER A 67 0.186 11.425 -7.993 1.00 0.00 O ATOM 0 H SER A 67 -1.107 8.315 -5.494 1.00 0.00 H new ATOM 0 HA SER A 67 0.396 10.849 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.855 9.518 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.854 9.647 -7.960 1.00 0.00 H new ATOM 0 HG SER A 67 0.386 11.341 -8.949 1.00 0.00 H new ATOM 974 N ASP A 68 -1.807 12.134 -5.987 1.00 0.00 N ATOM 975 CA ASP A 68 -3.034 12.912 -5.810 1.00 0.00 C ATOM 976 C ASP A 68 -3.449 12.978 -4.346 1.00 0.00 C ATOM 977 O ASP A 68 -4.624 13.179 -4.035 1.00 0.00 O ATOM 978 CB ASP A 68 -4.182 12.355 -6.657 1.00 0.00 C ATOM 979 CG ASP A 68 -4.002 12.629 -8.134 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.988 13.816 -8.525 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.884 11.658 -8.913 1.00 0.00 O ATOM 0 H ASP A 68 -1.024 12.682 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.816 13.924 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.257 11.279 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.122 12.794 -6.322 1.00 0.00 H new ATOM 986 N LEU A 69 -2.480 12.826 -3.449 1.00 0.00 N ATOM 987 CA LEU A 69 -2.740 12.927 -2.014 1.00 0.00 C ATOM 988 C LEU A 69 -3.066 14.371 -1.639 1.00 0.00 C ATOM 989 O LEU A 69 -3.167 15.241 -2.500 1.00 0.00 O ATOM 990 CB LEU A 69 -1.539 12.468 -1.177 1.00 0.00 C ATOM 991 CG LEU A 69 -0.795 11.230 -1.653 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.388 10.978 -0.753 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.724 10.035 -1.630 1.00 0.00 C ATOM 0 H LEU A 69 -1.508 12.633 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.586 12.274 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.827 13.292 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.886 12.284 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.444 11.387 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.922 10.091 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.057 11.838 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.041 10.823 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.187 9.150 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.082 9.872 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.573 10.221 -2.288 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.242 14.618 -0.355 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.494 15.962 0.131 1.00 0.00 C ATOM 1007 C GLN A 70 -2.534 16.267 1.270 1.00 0.00 C ATOM 1008 O GLN A 70 -2.430 15.480 2.208 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.944 16.098 0.602 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.285 17.484 1.127 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.700 17.579 1.667 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.609 16.806 1.095 1.00 0.00 O flip ATOM 1013 NE2 GLN A 70 -6.972 18.347 2.588 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.215 13.904 0.373 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.335 16.675 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.611 15.858 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.133 15.365 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.582 17.751 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.158 18.212 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.241 18.926 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.928 18.405 2.938 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.800 17.389 1.188 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.819 17.771 2.212 1.00 0.00 C ATOM 1024 C PRO A 71 -1.466 18.061 3.566 1.00 0.00 C ATOM 1025 O PRO A 71 -2.491 18.745 3.645 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.168 19.027 1.641 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.145 19.563 0.652 1.00 0.00 C ATOM 1028 CD PRO A 71 -1.865 18.371 0.091 1.00 0.00 C ATOM 0 HA PRO A 71 -0.110 16.967 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.036 19.755 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.785 18.794 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.843 20.252 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.637 20.118 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.895 18.611 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.382 17.998 -0.812 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.865 17.527 4.626 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.407 17.702 5.957 1.00 0.00 C ATOM 1038 C GLY A 72 -2.490 16.687 6.255 1.00 0.00 C ATOM 1039 O GLY A 72 -3.429 16.965 7.003 1.00 0.00 O ATOM 0 H GLY A 72 -0.009 16.974 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.607 17.608 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.814 18.709 6.056 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.364 15.510 5.657 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.353 14.449 5.808 1.00 0.00 C ATOM 1045 C VAL A 73 -2.670 13.121 6.103 1.00 0.00 C ATOM 1046 O VAL A 73 -1.607 12.825 5.555 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.218 14.309 4.535 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.182 13.156 4.629 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.012 15.556 4.256 1.00 0.00 C ATOM 0 H VAL A 73 -1.578 15.264 5.056 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.999 14.717 6.644 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.513 14.131 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.769 13.096 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.627 12.228 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.849 13.308 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.606 15.415 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.674 15.762 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.332 16.396 4.116 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.283 12.328 6.970 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.737 11.044 7.349 1.00 0.00 C ATOM 1061 C GLN A 74 -3.206 9.975 6.384 1.00 0.00 C ATOM 1062 O GLN A 74 -4.404 9.766 6.207 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.163 10.706 8.768 1.00 0.00 C ATOM 1064 CG GLN A 74 -1.994 10.346 9.665 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.344 9.030 9.288 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.003 8.119 8.795 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.039 8.929 9.498 1.00 0.00 N ATOM 0 H GLN A 74 -4.166 12.559 7.425 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.649 11.089 7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.694 11.557 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.865 9.873 8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.249 11.140 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.338 10.293 10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.473 9.709 9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.453 8.071 9.247 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.255 9.307 5.764 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.561 8.341 4.724 1.00 0.00 C ATOM 1078 C TYR A 75 -2.218 6.922 5.142 1.00 0.00 C ATOM 1079 O TYR A 75 -1.057 6.575 5.326 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.835 8.709 3.429 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.648 9.634 2.554 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.535 9.118 1.623 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.550 11.014 2.671 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.302 9.947 0.832 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.321 11.853 1.885 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.194 11.313 0.966 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.976 12.140 0.185 1.00 0.00 O ATOM 0 H TYR A 75 -1.260 9.414 5.962 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.637 8.375 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.885 9.185 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.604 7.799 2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.627 8.047 1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.862 11.439 3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.985 9.526 0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.239 12.925 1.992 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.161 12.970 0.672 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.246 6.109 5.284 1.00 0.00 N ATOM 1098 CA ASN A 76 -3.083 4.706 5.619 1.00 0.00 C ATOM 1099 C ASN A 76 -2.869 3.889 4.348 1.00 0.00 C ATOM 1100 O ASN A 76 -3.803 3.688 3.565 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.323 4.188 6.361 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.642 4.984 7.615 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.144 4.528 8.754 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -5.352 5.991 7.566 1.00 0.00 N flip ATOM 0 H ASN A 76 -4.217 6.401 5.171 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.213 4.601 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.181 4.220 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.168 3.143 6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.718 6.314 6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.573 6.501 8.421 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.638 3.444 4.129 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.319 2.603 2.984 1.00 0.00 C ATOM 1113 C ILE A 77 -1.432 1.146 3.369 1.00 0.00 C ATOM 1114 O ILE A 77 -0.759 0.675 4.283 1.00 0.00 O ATOM 1115 CB ILE A 77 0.106 2.854 2.432 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.302 4.297 1.987 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.419 1.934 1.261 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.783 5.226 3.080 1.00 0.00 C ATOM 0 H ILE A 77 -0.842 3.653 4.732 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.034 2.859 2.202 1.00 0.00 H new ATOM 0 HB ILE A 77 0.789 2.643 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.020 4.318 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.642 4.675 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.427 2.137 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.353 0.896 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.298 2.109 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.896 6.233 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.056 5.239 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.744 4.876 3.458 1.00 0.00 H new ATOM 1130 N THR A 78 -2.309 0.447 2.693 1.00 0.00 N ATOM 1131 CA THR A 78 -2.488 -0.955 2.918 1.00 0.00 C ATOM 1132 C THR A 78 -2.009 -1.755 1.710 1.00 0.00 C ATOM 1133 O THR A 78 -2.548 -1.602 0.603 1.00 0.00 O ATOM 1134 CB THR A 78 -3.959 -1.258 3.189 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.421 -0.478 4.302 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.164 -2.733 3.482 1.00 0.00 C ATOM 0 H THR A 78 -2.916 0.839 1.973 1.00 0.00 H new ATOM 0 HA THR A 78 -1.897 -1.244 3.787 1.00 0.00 H new ATOM 0 HB THR A 78 -4.530 -0.999 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.366 -0.675 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.220 -2.923 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.837 -3.323 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.582 -3.014 4.359 1.00 0.00 H new ATOM 1144 N ILE A 79 -1.004 -2.604 1.925 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.469 -3.429 0.834 1.00 0.00 C ATOM 1146 C ILE A 79 -1.122 -4.807 0.873 1.00 0.00 C ATOM 1147 O ILE A 79 -1.342 -5.367 1.942 1.00 0.00 O ATOM 1148 CB ILE A 79 1.078 -3.639 0.867 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.887 -2.371 1.101 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.556 -4.227 -0.431 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.489 -1.200 0.250 1.00 0.00 C ATOM 0 H ILE A 79 -0.548 -2.740 2.827 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.698 -2.879 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 79 1.241 -4.306 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.795 -2.087 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.939 -2.591 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.636 -4.367 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.071 -5.189 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.308 -3.552 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.121 -0.345 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.609 -1.457 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.447 -0.946 0.445 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.437 -5.338 -0.290 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.028 -6.659 -0.410 1.00 0.00 C ATOM 1165 C TYR A 80 -1.232 -7.492 -1.412 1.00 0.00 C ATOM 1166 O TYR A 80 -1.266 -7.209 -2.614 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.472 -6.560 -0.924 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.401 -5.673 -0.121 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.122 -6.191 0.947 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.586 -4.325 -0.447 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.993 -5.403 1.672 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.460 -3.536 0.273 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.161 -4.079 1.331 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.031 -3.292 2.054 1.00 0.00 O ATOM 0 H TYR A 80 -1.291 -4.866 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.015 -7.124 0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.448 -6.193 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.896 -7.564 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.999 -7.230 1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.038 -3.896 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.540 -5.823 2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.595 -2.497 0.010 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.033 -2.384 1.686 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.539 -8.520 -0.933 1.00 0.00 N ATOM 1185 CA ALA A 81 0.131 -9.460 -1.828 1.00 0.00 C ATOM 1186 C ALA A 81 -0.904 -10.439 -2.354 1.00 0.00 C ATOM 1187 O ALA A 81 -1.425 -11.266 -1.603 1.00 0.00 O ATOM 1188 CB ALA A 81 1.264 -10.201 -1.111 1.00 0.00 C ATOM 0 H ALA A 81 -0.426 -8.723 0.060 1.00 0.00 H new ATOM 0 HA ALA A 81 0.583 -8.913 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.742 -10.893 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.999 -9.481 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.858 -10.757 -0.266 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.219 -10.342 -3.632 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.305 -11.154 -4.187 1.00 0.00 C ATOM 1196 C VAL A 82 -1.753 -12.372 -4.902 1.00 0.00 C ATOM 1197 O VAL A 82 -0.724 -12.291 -5.562 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.248 -10.364 -5.138 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.522 -9.818 -6.342 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.400 -11.240 -5.597 1.00 0.00 C ATOM 0 H VAL A 82 -0.755 -9.726 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.908 -11.467 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.633 -9.519 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.224 -9.275 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.731 -9.143 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.086 -10.641 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.049 -10.669 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.008 -12.107 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.971 -11.573 -4.731 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.454 -13.489 -4.747 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.054 -14.772 -5.291 1.00 0.00 C ATOM 1212 C GLU A 83 -3.141 -15.220 -6.277 1.00 0.00 C ATOM 1213 O GLU A 83 -4.227 -14.635 -6.283 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.886 -15.729 -4.103 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.185 -17.050 -4.363 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.999 -18.050 -5.150 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.191 -18.241 -4.839 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.447 -18.640 -6.099 1.00 0.00 O ATOM 0 H GLU A 83 -3.332 -13.524 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.111 -14.739 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.335 -15.204 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.876 -15.946 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.257 -16.854 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.912 -17.496 -3.407 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.857 -16.224 -7.108 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.796 -16.684 -8.141 1.00 0.00 C ATOM 1227 C GLU A 84 -5.218 -16.826 -7.611 1.00 0.00 C ATOM 1228 O GLU A 84 -6.171 -16.365 -8.239 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.360 -18.034 -8.714 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.967 -18.037 -9.310 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.639 -19.340 -10.001 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.925 -19.458 -11.213 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.103 -20.255 -9.341 1.00 0.00 O ATOM 0 H GLU A 84 -1.977 -16.740 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.785 -15.921 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.406 -18.783 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.072 -18.337 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.878 -17.218 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.237 -17.853 -8.522 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.362 -17.456 -6.456 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.683 -17.747 -5.921 1.00 0.00 C ATOM 1242 C ASN A 85 -6.832 -17.231 -4.492 1.00 0.00 C ATOM 1243 O ASN A 85 -7.893 -17.363 -3.880 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.931 -19.261 -5.968 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.347 -19.651 -5.585 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -9.299 -18.906 -5.822 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -8.494 -20.827 -4.992 1.00 0.00 N ATOM 0 H ASN A 85 -4.587 -17.774 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.424 -17.235 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.721 -19.625 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.231 -19.758 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.422 -21.145 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.679 -21.414 -4.814 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.785 -16.615 -3.961 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.784 -16.225 -2.560 1.00 0.00 C ATOM 1256 C GLN A 86 -5.281 -14.801 -2.387 1.00 0.00 C ATOM 1257 O GLN A 86 -4.845 -14.165 -3.344 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.907 -17.179 -1.745 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.369 -18.628 -1.789 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.746 -18.828 -1.189 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -7.159 -18.100 -0.288 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -7.462 -19.826 -1.676 1.00 0.00 N ATOM 0 H GLN A 86 -4.935 -16.377 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.811 -16.277 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.883 -17.123 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.889 -16.845 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.376 -18.970 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.651 -19.249 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.084 -20.408 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.393 -20.015 -1.304 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.355 -14.307 -1.163 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.833 -12.994 -0.822 1.00 0.00 C ATOM 1273 C GLU A 87 -4.092 -13.073 0.500 1.00 0.00 C ATOM 1274 O GLU A 87 -4.578 -13.671 1.459 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.963 -11.965 -0.729 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.608 -11.644 -2.067 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.823 -10.757 -1.929 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.673 -9.519 -1.950 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.941 -11.300 -1.802 1.00 0.00 O ATOM 0 H GLU A 87 -5.778 -14.803 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.147 -12.675 -1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.727 -12.338 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.570 -11.045 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.877 -11.155 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.895 -12.573 -2.560 1.00 0.00 H new ATOM 1286 N SER A 88 -2.912 -12.486 0.543 1.00 0.00 N ATOM 1287 CA SER A 88 -2.094 -12.514 1.741 1.00 0.00 C ATOM 1288 C SER A 88 -2.636 -11.540 2.780 1.00 0.00 C ATOM 1289 O SER A 88 -3.579 -10.791 2.507 1.00 0.00 O ATOM 1290 CB SER A 88 -0.652 -12.157 1.391 1.00 0.00 C ATOM 1291 OG SER A 88 -0.223 -12.865 0.239 1.00 0.00 O ATOM 0 H SER A 88 -2.497 -11.982 -0.240 1.00 0.00 H new ATOM 0 HA SER A 88 -2.123 -13.519 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.571 -11.084 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.000 -12.393 2.232 1.00 0.00 H new ATOM 0 HG SER A 88 -0.504 -12.381 -0.566 1.00 0.00 H new ATOM 1297 N THR A 89 -2.042 -11.552 3.962 1.00 0.00 N ATOM 1298 CA THR A 89 -2.409 -10.625 5.018 1.00 0.00 C ATOM 1299 C THR A 89 -2.182 -9.172 4.569 1.00 0.00 C ATOM 1300 O THR A 89 -1.464 -8.918 3.600 1.00 0.00 O ATOM 1301 CB THR A 89 -1.598 -10.934 6.292 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.431 -11.703 5.954 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.443 -11.706 7.295 1.00 0.00 C ATOM 0 H THR A 89 -1.296 -12.201 4.215 1.00 0.00 H new ATOM 0 HA THR A 89 -3.470 -10.747 5.239 1.00 0.00 H new ATOM 0 HB THR A 89 -1.295 -9.989 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.081 -11.895 6.767 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.851 -11.913 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.315 -11.113 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.769 -12.646 6.849 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.837 -8.202 5.219 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.714 -6.801 4.850 1.00 0.00 C ATOM 1313 C PRO A 90 -1.560 -6.071 5.551 1.00 0.00 C ATOM 1314 O PRO A 90 -1.360 -6.197 6.762 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.059 -6.228 5.287 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.481 -7.061 6.455 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.765 -8.384 6.349 1.00 0.00 C ATOM 0 HA PRO A 90 -2.486 -6.682 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.968 -5.178 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.790 -6.282 4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.230 -6.563 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.561 -7.208 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.231 -8.623 7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.463 -9.201 6.164 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.819 -5.305 4.765 1.00 0.00 N ATOM 1326 CA VAL A 91 0.144 -4.343 5.278 1.00 0.00 C ATOM 1327 C VAL A 91 -0.589 -3.075 5.640 1.00 0.00 C ATOM 1328 O VAL A 91 -1.284 -2.529 4.787 1.00 0.00 O ATOM 1329 CB VAL A 91 1.155 -3.933 4.206 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.812 -2.621 4.598 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.199 -5.003 3.970 1.00 0.00 C ATOM 0 H VAL A 91 -0.869 -5.334 3.747 1.00 0.00 H new ATOM 0 HA VAL A 91 0.650 -4.808 6.124 1.00 0.00 H new ATOM 0 HB VAL A 91 0.616 -3.803 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.532 -2.331 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.051 -1.847 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.326 -2.742 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.895 -4.669 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.743 -5.191 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.711 -5.921 3.643 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.431 -2.588 6.856 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.010 -1.307 7.207 1.00 0.00 C ATOM 1343 C VAL A 92 0.067 -0.369 7.742 1.00 0.00 C ATOM 1344 O VAL A 92 0.549 -0.526 8.866 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.143 -1.438 8.246 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.969 -0.165 8.277 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.028 -2.642 7.949 1.00 0.00 C ATOM 0 H VAL A 92 0.084 -3.051 7.605 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.443 -0.894 6.296 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.691 -1.592 9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.766 -0.267 9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.331 0.676 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.404 0.011 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.817 -2.707 8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.474 -2.530 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.427 -3.551 7.975 1.00 0.00 H new ATOM 1357 N ILE A 93 0.436 0.603 6.921 1.00 0.00 N ATOM 1358 CA ILE A 93 1.437 1.595 7.285 1.00 0.00 C ATOM 1359 C ILE A 93 0.885 2.996 7.064 1.00 0.00 C ATOM 1360 O ILE A 93 0.567 3.378 5.942 1.00 0.00 O ATOM 1361 CB ILE A 93 2.741 1.425 6.469 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.440 1.275 4.981 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.529 0.226 6.972 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.622 1.607 4.109 1.00 0.00 C ATOM 0 H ILE A 93 0.051 0.726 5.985 1.00 0.00 H new ATOM 0 HA ILE A 93 1.674 1.448 8.339 1.00 0.00 H new ATOM 0 HB ILE A 93 3.344 2.323 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.123 0.252 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.606 1.925 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.443 0.120 6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.784 0.373 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.926 -0.676 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.348 1.482 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.925 2.639 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.450 0.940 4.349 1.00 0.00 H new ATOM 1376 N GLN A 94 0.749 3.755 8.135 1.00 0.00 N ATOM 1377 CA GLN A 94 0.181 5.086 8.034 1.00 0.00 C ATOM 1378 C GLN A 94 1.275 6.150 8.014 1.00 0.00 C ATOM 1379 O GLN A 94 2.200 6.130 8.825 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.802 5.334 9.181 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.159 5.348 10.560 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.162 5.538 11.678 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.352 4.987 11.508 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -0.863 6.157 12.697 1.00 0.00 N flip ATOM 0 H GLN A 94 1.021 3.476 9.077 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.364 5.154 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.303 6.288 9.016 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.571 4.562 9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.376 4.411 10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.580 6.148 10.602 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.066 6.568 12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.544 6.260 13.449 1.00 0.00 H new ATOM 1393 N GLN A 95 1.173 7.059 7.062 1.00 0.00 N ATOM 1394 CA GLN A 95 2.116 8.152 6.927 1.00 0.00 C ATOM 1395 C GLN A 95 1.384 9.432 6.548 1.00 0.00 C ATOM 1396 O GLN A 95 0.598 9.447 5.606 1.00 0.00 O ATOM 1397 CB GLN A 95 3.161 7.822 5.861 1.00 0.00 C ATOM 1398 CG GLN A 95 4.574 7.679 6.405 1.00 0.00 C ATOM 1399 CD GLN A 95 5.067 8.908 7.147 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.559 10.080 6.789 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.893 8.804 8.052 1.00 0.00 N flip ATOM 0 H GLN A 95 0.433 7.060 6.360 1.00 0.00 H new ATOM 0 HA GLN A 95 2.618 8.297 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.878 6.894 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.152 8.605 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.611 6.821 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.253 7.467 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.263 7.887 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.208 9.635 8.553 1.00 0.00 H new ATOM 1410 N GLU A 96 1.643 10.498 7.285 1.00 0.00 N ATOM 1411 CA GLU A 96 1.042 11.787 6.995 1.00 0.00 C ATOM 1412 C GLU A 96 1.882 12.544 5.982 1.00 0.00 C ATOM 1413 O GLU A 96 3.113 12.518 6.030 1.00 0.00 O ATOM 1414 CB GLU A 96 0.890 12.615 8.272 1.00 0.00 C ATOM 1415 CG GLU A 96 0.350 14.015 8.034 1.00 0.00 C ATOM 1416 CD GLU A 96 0.193 14.804 9.312 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.164 15.471 9.727 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.904 14.774 9.905 1.00 0.00 O ATOM 0 H GLU A 96 2.268 10.496 8.091 1.00 0.00 H new ATOM 0 HA GLU A 96 0.051 11.614 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.224 12.090 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.860 12.688 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.021 14.550 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.615 13.947 7.533 1.00 0.00 H new ATOM 1425 N THR A 97 1.202 13.203 5.068 1.00 0.00 N ATOM 1426 CA THR A 97 1.845 13.969 4.022 1.00 0.00 C ATOM 1427 C THR A 97 2.506 15.225 4.581 1.00 0.00 C ATOM 1428 O THR A 97 1.841 16.087 5.159 1.00 0.00 O ATOM 1429 CB THR A 97 0.808 14.363 2.968 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.342 14.900 3.632 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.400 13.162 2.132 1.00 0.00 C ATOM 0 H THR A 97 0.183 13.222 5.030 1.00 0.00 H new ATOM 0 HA THR A 97 2.620 13.349 3.572 1.00 0.00 H new ATOM 0 HB THR A 97 1.244 15.108 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.060 15.042 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.338 13.469 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.276 12.756 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.032 12.398 2.779 1.00 0.00 H new ATOM 1439 N THR A 98 3.816 15.318 4.408 1.00 0.00 N ATOM 1440 CA THR A 98 4.579 16.452 4.900 1.00 0.00 C ATOM 1441 C THR A 98 4.289 17.694 4.066 1.00 0.00 C ATOM 1442 O THR A 98 4.296 18.816 4.569 1.00 0.00 O ATOM 1443 CB THR A 98 6.084 16.145 4.844 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.339 14.870 5.447 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.891 17.217 5.559 1.00 0.00 C ATOM 0 H THR A 98 4.375 14.614 3.926 1.00 0.00 H new ATOM 0 HA THR A 98 4.284 16.637 5.933 1.00 0.00 H new ATOM 0 HB THR A 98 6.389 16.128 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.299 14.676 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.952 16.972 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.715 18.182 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.585 17.266 6.604 1.00 0.00 H new