USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 764 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 97 THR OG1 : rot 177:sc= -1.4 USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0.386 USER MOD Set 2.1: A 45 THR OG1 : rot 116:sc= -0.909 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.0576 USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0.957 USER MOD Set 3.2: A 77 SER OG : rot -56:sc= 0.482 USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 1.12 USER MOD Set 4.2: A 34 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 27 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.5!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.111 USER MOD Single : A 51 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.4!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -27:sc= 0.791 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -5.86! C(o=-5.9!,f=-3.3!) USER MOD Single : A 74 THR OG1 : rot 80:sc= 0.781! USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.331 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -160:sc= 0 USER MOD Single : A 99 SER OG : rot -78:sc= 0.614 USER MOD Single : A 101 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.26) USER MOD Single : A 107 SER OG : rot 30:sc= -2.87! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.145 2.755 1.127 1.00 0.00 N ATOM 186 CA GLY A 16 -16.061 2.093 0.425 1.00 0.00 C ATOM 187 C GLY A 16 -16.546 1.284 -0.762 1.00 0.00 C ATOM 188 O GLY A 16 -17.745 1.190 -1.027 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.344 2.840 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.532 1.437 1.116 1.00 0.00 H new ATOM 192 N PRO A 17 -15.601 0.684 -1.500 1.00 0.00 N ATOM 193 CA PRO A 17 -14.172 0.789 -1.194 1.00 0.00 C ATOM 194 C PRO A 17 -13.625 2.188 -1.454 1.00 0.00 C ATOM 195 O PRO A 17 -14.084 2.905 -2.344 1.00 0.00 O ATOM 196 CB PRO A 17 -13.530 -0.222 -2.147 1.00 0.00 C ATOM 197 CG PRO A 17 -14.487 -0.332 -3.284 1.00 0.00 C ATOM 198 CD PRO A 17 -15.856 -0.143 -2.692 1.00 0.00 C ATOM 0 HA PRO A 17 -13.965 0.594 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.551 0.119 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.381 -1.186 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.282 0.424 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.403 -1.303 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.530 0.354 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.315 -1.096 -2.429 1.00 0.00 H new ATOM 206 N PRO A 18 -12.619 2.588 -0.662 1.00 0.00 N ATOM 207 CA PRO A 18 -11.987 3.905 -0.788 1.00 0.00 C ATOM 208 C PRO A 18 -11.162 4.031 -2.064 1.00 0.00 C ATOM 209 O PRO A 18 -10.382 3.141 -2.401 1.00 0.00 O ATOM 210 CB PRO A 18 -11.082 3.984 0.444 1.00 0.00 C ATOM 211 CG PRO A 18 -10.791 2.565 0.791 1.00 0.00 C ATOM 212 CD PRO A 18 -12.022 1.786 0.419 1.00 0.00 C ATOM 0 HA PRO A 18 -12.723 4.707 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.166 4.535 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.577 4.499 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.920 2.201 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.570 2.461 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.774 0.779 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.702 1.681 1.264 1.00 0.00 H new ATOM 220 N ALA A 19 -11.339 5.143 -2.770 1.00 0.00 N ATOM 221 CA ALA A 19 -10.608 5.387 -4.008 1.00 0.00 C ATOM 222 C ALA A 19 -9.119 5.114 -3.829 1.00 0.00 C ATOM 223 O ALA A 19 -8.443 5.737 -3.009 1.00 0.00 O ATOM 224 CB ALA A 19 -10.832 6.816 -4.480 1.00 0.00 C ATOM 0 H ALA A 19 -11.982 5.889 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.987 4.702 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.281 6.984 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.895 6.978 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.481 7.511 -3.717 1.00 0.00 H new ATOM 230 N PRO A 20 -8.592 4.161 -4.612 1.00 0.00 N ATOM 231 CA PRO A 20 -7.177 3.784 -4.558 1.00 0.00 C ATOM 232 C PRO A 20 -6.265 4.876 -5.107 1.00 0.00 C ATOM 233 O PRO A 20 -6.660 5.684 -5.948 1.00 0.00 O ATOM 234 CB PRO A 20 -7.108 2.536 -5.441 1.00 0.00 C ATOM 235 CG PRO A 20 -8.256 2.673 -6.381 1.00 0.00 C ATOM 236 CD PRO A 20 -9.339 3.379 -5.612 1.00 0.00 C ATOM 0 HA PRO A 20 -6.838 3.618 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.161 2.483 -5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.189 1.626 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.970 3.243 -7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.596 1.697 -6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.938 4.021 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.023 2.673 -5.141 1.00 0.00 H new ATOM 244 N PRO A 21 -5.015 4.904 -4.621 1.00 0.00 N ATOM 245 CA PRO A 21 -4.020 5.891 -5.050 1.00 0.00 C ATOM 246 C PRO A 21 -3.562 5.667 -6.487 1.00 0.00 C ATOM 247 O PRO A 21 -3.874 4.642 -7.094 1.00 0.00 O ATOM 248 CB PRO A 21 -2.859 5.671 -4.078 1.00 0.00 C ATOM 249 CG PRO A 21 -2.999 4.255 -3.635 1.00 0.00 C ATOM 250 CD PRO A 21 -4.475 3.972 -3.617 1.00 0.00 C ATOM 0 HA PRO A 21 -4.420 6.905 -5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.898 5.841 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.914 6.357 -3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.480 3.580 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.562 4.110 -2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.688 2.935 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.906 4.149 -2.632 1.00 0.00 H new ATOM 258 N GLN A 22 -2.821 6.630 -7.025 1.00 0.00 N ATOM 259 CA GLN A 22 -2.321 6.536 -8.391 1.00 0.00 C ATOM 260 C GLN A 22 -0.890 7.057 -8.484 1.00 0.00 C ATOM 261 O GLN A 22 -0.313 7.494 -7.489 1.00 0.00 O ATOM 262 CB GLN A 22 -3.225 7.321 -9.343 1.00 0.00 C ATOM 263 CG GLN A 22 -4.620 6.733 -9.480 1.00 0.00 C ATOM 264 CD GLN A 22 -5.411 7.363 -10.609 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.134 8.489 -11.024 1.00 0.00 O ATOM 266 NE2 GLN A 22 -6.402 6.638 -11.115 1.00 0.00 N ATOM 0 H GLN A 22 -2.554 7.484 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.325 5.485 -8.681 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.306 8.349 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.757 7.359 -10.327 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.542 5.659 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.161 6.868 -8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.597 5.709 -10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.968 7.010 -11.878 1.00 0.00 H new ATOM 275 N ASP A 23 -0.325 7.007 -9.685 1.00 0.00 N ATOM 276 CA ASP A 23 1.038 7.475 -9.909 1.00 0.00 C ATOM 277 C ASP A 23 2.020 6.741 -9.001 1.00 0.00 C ATOM 278 O ASP A 23 2.958 7.337 -8.473 1.00 0.00 O ATOM 279 CB ASP A 23 1.129 8.982 -9.666 1.00 0.00 C ATOM 280 CG ASP A 23 0.856 9.788 -10.921 1.00 0.00 C ATOM 281 OD1 ASP A 23 1.807 10.015 -11.698 1.00 0.00 O ATOM 282 OD2 ASP A 23 -0.308 10.192 -11.126 1.00 0.00 O ATOM 0 H ASP A 23 -0.790 6.647 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 23 1.302 7.265 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.415 9.266 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.122 9.227 -9.289 1.00 0.00 H new ATOM 287 N VAL A 24 1.797 5.442 -8.823 1.00 0.00 N ATOM 288 CA VAL A 24 2.662 4.627 -7.979 1.00 0.00 C ATOM 289 C VAL A 24 4.018 4.401 -8.638 1.00 0.00 C ATOM 290 O VAL A 24 4.099 4.071 -9.822 1.00 0.00 O ATOM 291 CB VAL A 24 2.019 3.261 -7.671 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.946 2.417 -6.809 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.670 3.448 -6.994 1.00 0.00 C ATOM 0 H VAL A 24 1.025 4.932 -9.252 1.00 0.00 H new ATOM 0 HA VAL A 24 2.801 5.174 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 24 1.857 2.734 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.475 1.456 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.886 2.254 -7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.142 2.935 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.230 2.473 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.804 3.995 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.008 4.011 -7.652 1.00 0.00 H new ATOM 303 N THR A 25 5.083 4.580 -7.863 1.00 0.00 N ATOM 304 CA THR A 25 6.437 4.396 -8.371 1.00 0.00 C ATOM 305 C THR A 25 7.392 3.985 -7.256 1.00 0.00 C ATOM 306 O THR A 25 7.043 4.035 -6.076 1.00 0.00 O ATOM 307 CB THR A 25 6.966 5.680 -9.037 1.00 0.00 C ATOM 308 OG1 THR A 25 8.394 5.632 -9.130 1.00 0.00 O ATOM 309 CG2 THR A 25 6.546 6.912 -8.249 1.00 0.00 C ATOM 0 H THR A 25 5.034 4.852 -6.881 1.00 0.00 H new ATOM 0 HA THR A 25 6.390 3.602 -9.116 1.00 0.00 H new ATOM 0 HB THR A 25 6.539 5.745 -10.038 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.722 6.451 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.931 7.806 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.458 6.963 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.947 6.851 -7.237 1.00 0.00 H new ATOM 317 N VAL A 26 8.599 3.580 -7.636 1.00 0.00 N ATOM 318 CA VAL A 26 9.605 3.162 -6.667 1.00 0.00 C ATOM 319 C VAL A 26 10.922 3.898 -6.890 1.00 0.00 C ATOM 320 O VAL A 26 11.594 3.695 -7.900 1.00 0.00 O ATOM 321 CB VAL A 26 9.860 1.644 -6.741 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.130 1.279 -5.989 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.666 0.877 -6.194 1.00 0.00 C ATOM 0 H VAL A 26 8.904 3.532 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 26 9.215 3.410 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 26 9.993 1.365 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.294 0.203 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.978 1.802 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.030 1.570 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.863 -0.193 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.499 1.158 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.780 1.116 -6.782 1.00 0.00 H new ATOM 333 N GLN A 27 11.283 4.754 -5.939 1.00 0.00 N ATOM 334 CA GLN A 27 12.519 5.521 -6.032 1.00 0.00 C ATOM 335 C GLN A 27 13.674 4.775 -5.372 1.00 0.00 C ATOM 336 O GLN A 27 14.523 4.199 -6.051 1.00 0.00 O ATOM 337 CB GLN A 27 12.343 6.893 -5.378 1.00 0.00 C ATOM 338 CG GLN A 27 11.217 7.715 -5.984 1.00 0.00 C ATOM 339 CD GLN A 27 11.684 8.589 -7.131 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.826 9.050 -7.151 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.801 8.824 -8.095 1.00 0.00 N ATOM 0 H GLN A 27 10.737 4.933 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 27 12.754 5.657 -7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.151 6.757 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.276 7.450 -5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.434 7.045 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.774 8.343 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.865 8.422 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.059 9.406 -8.892 1.00 0.00 H new ATOM 350 N ALA A 28 13.699 4.789 -4.043 1.00 0.00 N ATOM 351 CA ALA A 28 14.748 4.112 -3.291 1.00 0.00 C ATOM 352 C ALA A 28 14.493 4.203 -1.790 1.00 0.00 C ATOM 353 O ALA A 28 14.104 5.252 -1.279 1.00 0.00 O ATOM 354 CB ALA A 28 16.108 4.703 -3.634 1.00 0.00 C ATOM 0 H ALA A 28 13.004 5.262 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 28 14.740 3.059 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.882 4.188 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.299 4.581 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.118 5.764 -3.383 1.00 0.00 H new ATOM 360 N GLY A 29 14.715 3.095 -1.089 1.00 0.00 N ATOM 361 CA GLY A 29 14.503 3.071 0.346 1.00 0.00 C ATOM 362 C GLY A 29 15.731 3.509 1.121 1.00 0.00 C ATOM 363 O GLY A 29 16.857 3.167 0.759 1.00 0.00 O ATOM 0 H GLY A 29 15.038 2.214 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.667 3.723 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.224 2.063 0.652 1.00 0.00 H new ATOM 367 N VAL A 30 15.514 4.270 2.189 1.00 0.00 N ATOM 368 CA VAL A 30 16.611 4.756 3.017 1.00 0.00 C ATOM 369 C VAL A 30 17.750 3.744 3.071 1.00 0.00 C ATOM 370 O VAL A 30 18.923 4.113 3.125 1.00 0.00 O ATOM 371 CB VAL A 30 16.141 5.060 4.451 1.00 0.00 C ATOM 372 CG1 VAL A 30 17.301 5.555 5.301 1.00 0.00 C ATOM 373 CG2 VAL A 30 15.009 6.076 4.437 1.00 0.00 C ATOM 0 H VAL A 30 14.588 4.563 2.501 1.00 0.00 H new ATOM 0 HA VAL A 30 16.969 5.677 2.557 1.00 0.00 H new ATOM 0 HB VAL A 30 15.766 4.137 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.949 5.764 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.077 4.790 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.710 6.466 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.689 6.279 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.355 7.000 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.170 5.678 3.867 1.00 0.00 H new ATOM 383 N THR A 31 17.396 2.462 3.054 1.00 0.00 N ATOM 384 CA THR A 31 18.387 1.395 3.101 1.00 0.00 C ATOM 385 C THR A 31 18.376 0.577 1.815 1.00 0.00 C ATOM 386 O THR A 31 17.392 0.550 1.076 1.00 0.00 O ATOM 387 CB THR A 31 18.143 0.454 4.297 1.00 0.00 C ATOM 388 OG1 THR A 31 16.737 0.268 4.494 1.00 0.00 O ATOM 389 CG2 THR A 31 18.768 1.017 5.564 1.00 0.00 C ATOM 0 H THR A 31 16.430 2.138 3.008 1.00 0.00 H new ATOM 0 HA THR A 31 19.360 1.872 3.216 1.00 0.00 H new ATOM 0 HB THR A 31 18.609 -0.507 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.590 -0.332 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.583 0.336 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.843 1.130 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.327 1.989 5.786 1.00 0.00 H new ATOM 397 N PRO A 32 19.496 -0.108 1.539 1.00 0.00 N ATOM 398 CA PRO A 32 19.639 -0.941 0.342 1.00 0.00 C ATOM 399 C PRO A 32 18.770 -2.193 0.399 1.00 0.00 C ATOM 400 O PRO A 32 18.731 -2.977 -0.549 1.00 0.00 O ATOM 401 CB PRO A 32 21.123 -1.319 0.348 1.00 0.00 C ATOM 402 CG PRO A 32 21.530 -1.231 1.778 1.00 0.00 C ATOM 403 CD PRO A 32 20.708 -0.123 2.376 1.00 0.00 C ATOM 0 HA PRO A 32 19.322 -0.417 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.277 -2.323 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.707 -0.639 -0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.348 -2.174 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.595 -1.019 1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.472 -0.318 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.233 0.831 2.340 1.00 0.00 H new ATOM 411 N ALA A 33 18.075 -2.375 1.517 1.00 0.00 N ATOM 412 CA ALA A 33 17.205 -3.530 1.696 1.00 0.00 C ATOM 413 C ALA A 33 15.736 -3.125 1.638 1.00 0.00 C ATOM 414 O ALA A 33 14.843 -3.966 1.753 1.00 0.00 O ATOM 415 CB ALA A 33 17.512 -4.222 3.016 1.00 0.00 C ATOM 0 H ALA A 33 18.098 -1.737 2.312 1.00 0.00 H new ATOM 0 HA ALA A 33 17.395 -4.227 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.855 -5.083 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.550 -4.554 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.351 -3.525 3.838 1.00 0.00 H new ATOM 421 N THR A 34 15.490 -1.831 1.459 1.00 0.00 N ATOM 422 CA THR A 34 14.129 -1.314 1.388 1.00 0.00 C ATOM 423 C THR A 34 13.970 -0.343 0.224 1.00 0.00 C ATOM 424 O THR A 34 14.955 0.168 -0.309 1.00 0.00 O ATOM 425 CB THR A 34 13.729 -0.603 2.694 1.00 0.00 C ATOM 426 OG1 THR A 34 14.643 0.465 2.970 1.00 0.00 O ATOM 427 CG2 THR A 34 13.715 -1.579 3.860 1.00 0.00 C ATOM 0 H THR A 34 16.216 -1.121 1.360 1.00 0.00 H new ATOM 0 HA THR A 34 13.473 -2.171 1.235 1.00 0.00 H new ATOM 0 HB THR A 34 12.725 -0.198 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.357 0.141 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.430 -1.053 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.997 -2.374 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.708 -2.010 3.986 1.00 0.00 H new ATOM 435 N ILE A 35 12.725 -0.091 -0.165 1.00 0.00 N ATOM 436 CA ILE A 35 12.438 0.821 -1.265 1.00 0.00 C ATOM 437 C ILE A 35 11.429 1.885 -0.847 1.00 0.00 C ATOM 438 O ILE A 35 10.794 1.776 0.202 1.00 0.00 O ATOM 439 CB ILE A 35 11.894 0.068 -2.494 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.820 -0.936 -2.070 1.00 0.00 C ATOM 441 CG2 ILE A 35 13.026 -0.637 -3.226 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.772 -1.183 -3.132 1.00 0.00 C ATOM 0 H ILE A 35 11.899 -0.506 0.265 1.00 0.00 H new ATOM 0 HA ILE A 35 13.380 1.301 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 35 11.441 0.790 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.298 -1.882 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.331 -0.573 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.626 -1.165 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.760 0.099 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.504 -1.351 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.043 -1.905 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.267 -0.247 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.249 -1.576 -4.030 1.00 0.00 H new ATOM 454 N ARG A 36 11.284 2.913 -1.677 1.00 0.00 N ATOM 455 CA ARG A 36 10.351 3.998 -1.394 1.00 0.00 C ATOM 456 C ARG A 36 9.215 4.016 -2.412 1.00 0.00 C ATOM 457 O ARG A 36 9.389 4.464 -3.546 1.00 0.00 O ATOM 458 CB ARG A 36 11.081 5.342 -1.405 1.00 0.00 C ATOM 459 CG ARG A 36 10.242 6.494 -0.877 1.00 0.00 C ATOM 460 CD ARG A 36 11.110 7.577 -0.256 1.00 0.00 C ATOM 461 NE ARG A 36 10.507 8.902 -0.382 1.00 0.00 N ATOM 462 CZ ARG A 36 10.576 9.638 -1.485 1.00 0.00 C ATOM 463 NH1 ARG A 36 11.217 9.182 -2.552 1.00 0.00 N ATOM 464 NH2 ARG A 36 10.001 10.834 -1.522 1.00 0.00 N ATOM 0 H ARG A 36 11.800 3.018 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 36 9.927 3.831 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.987 5.259 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.393 5.568 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.654 6.919 -1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.537 6.121 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.272 7.351 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.088 7.577 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 36 10.006 9.282 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.659 8.263 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.268 9.750 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.506 11.188 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.054 11.399 -2.369 1.00 0.00 H new ATOM 478 N VAL A 37 8.050 3.525 -2.000 1.00 0.00 N ATOM 479 CA VAL A 37 6.885 3.485 -2.875 1.00 0.00 C ATOM 480 C VAL A 37 6.098 4.789 -2.802 1.00 0.00 C ATOM 481 O VAL A 37 5.359 5.028 -1.847 1.00 0.00 O ATOM 482 CB VAL A 37 5.951 2.314 -2.514 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.900 2.116 -3.596 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.754 1.040 -2.300 1.00 0.00 C ATOM 0 H VAL A 37 7.889 3.149 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 37 7.257 3.344 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 37 5.438 2.554 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.250 1.285 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.306 3.024 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.391 1.897 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.079 0.223 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.295 0.793 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.464 1.190 -1.487 1.00 0.00 H new ATOM 494 N SER A 38 6.261 5.630 -3.818 1.00 0.00 N ATOM 495 CA SER A 38 5.568 6.913 -3.868 1.00 0.00 C ATOM 496 C SER A 38 4.247 6.787 -4.620 1.00 0.00 C ATOM 497 O SER A 38 4.030 5.828 -5.360 1.00 0.00 O ATOM 498 CB SER A 38 6.451 7.967 -4.538 1.00 0.00 C ATOM 499 OG SER A 38 6.198 9.256 -4.006 1.00 0.00 O ATOM 0 H SER A 38 6.867 5.447 -4.618 1.00 0.00 H new ATOM 0 HA SER A 38 5.356 7.224 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.501 7.711 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.267 7.971 -5.612 1.00 0.00 H new ATOM 0 HG SER A 38 6.776 9.912 -4.449 1.00 0.00 H new ATOM 505 N TRP A 39 3.367 7.763 -4.424 1.00 0.00 N ATOM 506 CA TRP A 39 2.066 7.763 -5.083 1.00 0.00 C ATOM 507 C TRP A 39 1.327 9.072 -4.829 1.00 0.00 C ATOM 508 O TRP A 39 1.814 9.940 -4.104 1.00 0.00 O ATOM 509 CB TRP A 39 1.224 6.584 -4.593 1.00 0.00 C ATOM 510 CG TRP A 39 0.908 6.647 -3.129 1.00 0.00 C ATOM 511 CD1 TRP A 39 0.057 7.518 -2.511 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.441 5.805 -2.101 1.00 0.00 C ATOM 513 NE1 TRP A 39 0.029 7.269 -1.160 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.869 6.223 -0.883 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.344 4.739 -2.090 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.172 5.611 0.330 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.645 4.133 -0.885 1.00 0.00 C ATOM 518 CH2 TRP A 39 2.060 4.569 0.311 1.00 0.00 C ATOM 0 H TRP A 39 3.531 8.564 -3.814 1.00 0.00 H new ATOM 0 HA TRP A 39 2.230 7.663 -6.156 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.292 6.553 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.755 5.656 -4.803 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.511 8.289 -3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.527 7.780 -0.475 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.799 4.395 -3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.723 5.946 1.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.343 3.309 -0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.314 4.073 1.236 1.00 0.00 H new ATOM 529 N ARG A 40 0.149 9.208 -5.429 1.00 0.00 N ATOM 530 CA ARG A 40 -0.656 10.412 -5.267 1.00 0.00 C ATOM 531 C ARG A 40 -1.979 10.093 -4.577 1.00 0.00 C ATOM 532 O ARG A 40 -2.855 9.433 -5.136 1.00 0.00 O ATOM 533 CB ARG A 40 -0.921 11.060 -6.628 1.00 0.00 C ATOM 534 CG ARG A 40 0.141 12.066 -7.041 1.00 0.00 C ATOM 535 CD ARG A 40 -0.364 12.991 -8.137 1.00 0.00 C ATOM 536 NE ARG A 40 0.714 13.781 -8.726 1.00 0.00 N ATOM 537 CZ ARG A 40 0.665 14.295 -9.950 1.00 0.00 C ATOM 538 NH1 ARG A 40 -0.404 14.102 -10.711 1.00 0.00 N ATOM 539 NH2 ARG A 40 1.686 15.003 -10.415 1.00 0.00 N ATOM 0 H ARG A 40 -0.269 8.499 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.099 11.110 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.984 10.280 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.890 11.558 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.441 12.656 -6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.028 11.538 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.848 12.401 -8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.121 13.659 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 40 1.551 13.947 -8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.191 13.558 -10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.439 14.498 -11.650 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.510 15.153 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.647 15.397 -11.355 1.00 0.00 H new ATOM 553 N PRO A 41 -2.129 10.573 -3.334 1.00 0.00 N ATOM 554 CA PRO A 41 -3.342 10.351 -2.541 1.00 0.00 C ATOM 555 C PRO A 41 -4.540 11.120 -3.086 1.00 0.00 C ATOM 556 O PRO A 41 -4.486 12.332 -3.297 1.00 0.00 O ATOM 557 CB PRO A 41 -2.959 10.873 -1.153 1.00 0.00 C ATOM 558 CG PRO A 41 -1.883 11.871 -1.408 1.00 0.00 C ATOM 559 CD PRO A 41 -1.126 11.368 -2.606 1.00 0.00 C ATOM 0 HA PRO A 41 -3.648 9.305 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.813 11.330 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.607 10.066 -0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.304 12.858 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.226 11.966 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.745 12.188 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.268 10.762 -2.314 1.00 0.00 H new ATOM 567 N PRO A 42 -5.648 10.402 -3.321 1.00 0.00 N ATOM 568 CA PRO A 42 -6.881 10.998 -3.845 1.00 0.00 C ATOM 569 C PRO A 42 -7.565 11.903 -2.826 1.00 0.00 C ATOM 570 O PRO A 42 -7.577 11.612 -1.630 1.00 0.00 O ATOM 571 CB PRO A 42 -7.759 9.782 -4.154 1.00 0.00 C ATOM 572 CG PRO A 42 -7.260 8.714 -3.244 1.00 0.00 C ATOM 573 CD PRO A 42 -5.783 8.954 -3.093 1.00 0.00 C ATOM 0 HA PRO A 42 -6.691 11.635 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.812 9.997 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.671 9.485 -5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.763 8.758 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.454 7.725 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.429 8.668 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.206 8.378 -3.816 1.00 0.00 H new ATOM 581 N VAL A 43 -8.135 13.004 -3.308 1.00 0.00 N ATOM 582 CA VAL A 43 -8.823 13.951 -2.440 1.00 0.00 C ATOM 583 C VAL A 43 -9.782 13.235 -1.495 1.00 0.00 C ATOM 584 O VAL A 43 -10.411 12.243 -1.866 1.00 0.00 O ATOM 585 CB VAL A 43 -9.608 14.994 -3.257 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.364 15.938 -2.335 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.672 15.767 -4.174 1.00 0.00 C ATOM 0 H VAL A 43 -8.133 13.261 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.056 14.460 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.336 14.470 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.912 16.667 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.065 15.368 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.658 16.457 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.244 16.500 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.919 16.280 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.182 15.076 -4.860 1.00 0.00 H new ATOM 597 N LEU A 44 -9.890 13.744 -0.273 1.00 0.00 N ATOM 598 CA LEU A 44 -10.773 13.154 0.726 1.00 0.00 C ATOM 599 C LEU A 44 -11.834 14.154 1.174 1.00 0.00 C ATOM 600 O LEU A 44 -11.526 15.304 1.489 1.00 0.00 O ATOM 601 CB LEU A 44 -9.964 12.677 1.934 1.00 0.00 C ATOM 602 CG LEU A 44 -9.039 11.484 1.693 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.237 11.169 2.945 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.841 10.268 1.251 1.00 0.00 C ATOM 0 H LEU A 44 -9.377 14.564 0.050 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.274 12.299 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.362 13.511 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.659 12.417 2.732 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.342 11.744 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.584 10.317 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.633 12.035 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.917 10.929 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.166 9.428 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.562 10.006 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.370 10.498 0.326 1.00 0.00 H new ATOM 616 N THR A 45 -13.087 13.708 1.203 1.00 0.00 N ATOM 617 CA THR A 45 -14.193 14.563 1.613 1.00 0.00 C ATOM 618 C THR A 45 -13.782 15.484 2.756 1.00 0.00 C ATOM 619 O THR A 45 -12.829 15.217 3.488 1.00 0.00 O ATOM 620 CB THR A 45 -15.413 13.731 2.052 1.00 0.00 C ATOM 621 OG1 THR A 45 -15.013 12.743 3.009 1.00 0.00 O ATOM 622 CG2 THR A 45 -16.064 13.052 0.857 1.00 0.00 C ATOM 0 H THR A 45 -13.360 12.759 0.947 1.00 0.00 H new ATOM 0 HA THR A 45 -14.466 15.165 0.746 1.00 0.00 H new ATOM 0 HB THR A 45 -16.139 14.404 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.454 12.920 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.923 12.471 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.393 13.808 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.343 12.390 0.377 1.00 0.00 H new ATOM 630 N PRO A 46 -14.517 16.595 2.915 1.00 0.00 N ATOM 631 CA PRO A 46 -14.248 17.578 3.968 1.00 0.00 C ATOM 632 C PRO A 46 -14.577 17.043 5.358 1.00 0.00 C ATOM 633 O PRO A 46 -14.657 17.802 6.324 1.00 0.00 O ATOM 634 CB PRO A 46 -15.173 18.744 3.611 1.00 0.00 C ATOM 635 CG PRO A 46 -16.282 18.123 2.834 1.00 0.00 C ATOM 636 CD PRO A 46 -15.667 16.977 2.079 1.00 0.00 C ATOM 0 HA PRO A 46 -13.194 17.851 4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.547 19.241 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.651 19.498 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.075 17.774 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.732 18.844 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.369 16.152 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.355 17.277 1.079 1.00 0.00 H new ATOM 644 N THR A 47 -14.767 15.731 5.452 1.00 0.00 N ATOM 645 CA THR A 47 -15.089 15.094 6.723 1.00 0.00 C ATOM 646 C THR A 47 -14.116 13.962 7.033 1.00 0.00 C ATOM 647 O THR A 47 -14.037 13.491 8.167 1.00 0.00 O ATOM 648 CB THR A 47 -16.525 14.537 6.725 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.705 13.643 5.621 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.543 15.664 6.643 1.00 0.00 C ATOM 0 H THR A 47 -14.703 15.088 4.663 1.00 0.00 H new ATOM 0 HA THR A 47 -15.005 15.862 7.492 1.00 0.00 H new ATOM 0 HB THR A 47 -16.680 13.996 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.620 13.292 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.550 15.246 6.646 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.423 16.326 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.387 16.229 5.724 1.00 0.00 H new ATOM 658 N GLY A 48 -13.375 13.530 6.017 1.00 0.00 N ATOM 659 CA GLY A 48 -12.417 12.456 6.203 1.00 0.00 C ATOM 660 C GLY A 48 -12.885 11.149 5.593 1.00 0.00 C ATOM 661 O GLY A 48 -12.984 10.134 6.284 1.00 0.00 O ATOM 0 H GLY A 48 -13.421 13.904 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.465 12.741 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.239 12.313 7.269 1.00 0.00 H new ATOM 665 N LEU A 49 -13.174 11.173 4.297 1.00 0.00 N ATOM 666 CA LEU A 49 -13.636 9.981 3.595 1.00 0.00 C ATOM 667 C LEU A 49 -13.343 10.081 2.101 1.00 0.00 C ATOM 668 O LEU A 49 -13.617 11.103 1.472 1.00 0.00 O ATOM 669 CB LEU A 49 -15.136 9.782 3.819 1.00 0.00 C ATOM 670 CG LEU A 49 -15.621 9.904 5.264 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.137 10.016 5.312 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.146 8.716 6.088 1.00 0.00 C ATOM 0 H LEU A 49 -13.097 12.004 3.711 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.098 9.122 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.673 10.512 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.411 8.795 3.447 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.197 10.812 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.463 10.102 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.454 10.899 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.582 9.127 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.500 8.820 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.540 7.795 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.057 8.682 6.082 1.00 0.00 H new ATOM 684 N SER A 50 -12.787 9.013 1.540 1.00 0.00 N ATOM 685 CA SER A 50 -12.455 8.981 0.120 1.00 0.00 C ATOM 686 C SER A 50 -13.675 8.603 -0.715 1.00 0.00 C ATOM 687 O SER A 50 -14.168 9.402 -1.510 1.00 0.00 O ATOM 688 CB SER A 50 -11.320 7.988 -0.138 1.00 0.00 C ATOM 689 OG SER A 50 -10.691 8.244 -1.381 1.00 0.00 O ATOM 0 H SER A 50 -12.557 8.158 2.046 1.00 0.00 H new ATOM 0 HA SER A 50 -12.130 9.979 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.586 8.054 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.713 6.971 -0.128 1.00 0.00 H new ATOM 0 HG SER A 50 -9.968 7.597 -1.521 1.00 0.00 H new ATOM 695 N ASN A 51 -14.157 7.379 -0.527 1.00 0.00 N ATOM 696 CA ASN A 51 -15.319 6.893 -1.263 1.00 0.00 C ATOM 697 C ASN A 51 -16.401 6.401 -0.307 1.00 0.00 C ATOM 698 O ASN A 51 -17.113 5.441 -0.600 1.00 0.00 O ATOM 699 CB ASN A 51 -14.912 5.767 -2.215 1.00 0.00 C ATOM 700 CG ASN A 51 -16.063 5.302 -3.086 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.173 5.829 -3.001 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.804 4.309 -3.928 1.00 0.00 N ATOM 0 H ASN A 51 -13.761 6.705 0.129 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.723 7.722 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.095 6.109 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.534 4.924 -1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.540 3.953 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.869 3.902 -3.965 1.00 0.00 H new ATOM 709 N GLY A 52 -16.519 7.065 0.839 1.00 0.00 N ATOM 710 CA GLY A 52 -17.516 6.681 1.821 1.00 0.00 C ATOM 711 C GLY A 52 -16.910 5.976 3.018 1.00 0.00 C ATOM 712 O GLY A 52 -17.543 5.863 4.066 1.00 0.00 O ATOM 0 H GLY A 52 -15.941 7.863 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.050 7.569 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.251 6.027 1.352 1.00 0.00 H new ATOM 716 N ALA A 53 -15.679 5.499 2.861 1.00 0.00 N ATOM 717 CA ALA A 53 -14.987 4.801 3.937 1.00 0.00 C ATOM 718 C ALA A 53 -14.026 5.733 4.667 1.00 0.00 C ATOM 719 O ALA A 53 -13.716 6.821 4.184 1.00 0.00 O ATOM 720 CB ALA A 53 -14.241 3.594 3.390 1.00 0.00 C ATOM 0 H ALA A 53 -15.141 5.584 1.999 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.734 4.458 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.729 3.083 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.949 2.911 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.510 3.922 2.651 1.00 0.00 H new ATOM 726 N ASN A 54 -13.560 5.300 5.833 1.00 0.00 N ATOM 727 CA ASN A 54 -12.635 6.097 6.631 1.00 0.00 C ATOM 728 C ASN A 54 -11.193 5.656 6.394 1.00 0.00 C ATOM 729 O ASN A 54 -10.700 4.735 7.045 1.00 0.00 O ATOM 730 CB ASN A 54 -12.978 5.980 8.117 1.00 0.00 C ATOM 731 CG ASN A 54 -12.612 7.230 8.895 1.00 0.00 C ATOM 732 OD1 ASN A 54 -11.696 7.961 8.520 1.00 0.00 O ATOM 733 ND2 ASN A 54 -13.329 7.479 9.985 1.00 0.00 N ATOM 0 H ASN A 54 -13.808 4.401 6.247 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.734 7.138 6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.045 5.786 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.453 5.124 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.129 8.305 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.080 6.844 10.258 1.00 0.00 H new ATOM 740 N VAL A 55 -10.523 6.320 5.458 1.00 0.00 N ATOM 741 CA VAL A 55 -9.138 5.999 5.137 1.00 0.00 C ATOM 742 C VAL A 55 -8.215 6.305 6.311 1.00 0.00 C ATOM 743 O VAL A 55 -8.014 7.466 6.671 1.00 0.00 O ATOM 744 CB VAL A 55 -8.653 6.779 3.900 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.251 6.339 3.506 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.623 6.598 2.742 1.00 0.00 C ATOM 0 H VAL A 55 -10.917 7.084 4.909 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.103 4.931 4.921 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.617 7.839 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.926 6.901 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.565 6.526 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.256 5.274 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.265 7.156 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.693 5.540 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.607 6.968 3.030 1.00 0.00 H new ATOM 756 N THR A 56 -7.655 5.257 6.906 1.00 0.00 N ATOM 757 CA THR A 56 -6.754 5.413 8.041 1.00 0.00 C ATOM 758 C THR A 56 -5.308 5.153 7.635 1.00 0.00 C ATOM 759 O THR A 56 -4.415 5.103 8.480 1.00 0.00 O ATOM 760 CB THR A 56 -7.131 4.461 9.193 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.947 3.101 8.784 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.574 4.676 9.622 1.00 0.00 C ATOM 0 H THR A 56 -7.810 4.290 6.620 1.00 0.00 H new ATOM 0 HA THR A 56 -6.853 6.443 8.383 1.00 0.00 H new ATOM 0 HB THR A 56 -6.481 4.676 10.041 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.187 2.502 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.817 3.993 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.704 5.704 9.960 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.237 4.485 8.778 1.00 0.00 H new ATOM 770 N GLY A 57 -5.084 4.990 6.334 1.00 0.00 N ATOM 771 CA GLY A 57 -3.743 4.739 5.839 1.00 0.00 C ATOM 772 C GLY A 57 -3.737 3.854 4.608 1.00 0.00 C ATOM 773 O GLY A 57 -4.791 3.425 4.137 1.00 0.00 O ATOM 0 H GLY A 57 -5.807 5.027 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.262 5.688 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.151 4.269 6.624 1.00 0.00 H new ATOM 777 N TYR A 58 -2.547 3.582 4.083 1.00 0.00 N ATOM 778 CA TYR A 58 -2.408 2.747 2.896 1.00 0.00 C ATOM 779 C TYR A 58 -1.714 1.431 3.235 1.00 0.00 C ATOM 780 O TYR A 58 -1.219 1.244 4.345 1.00 0.00 O ATOM 781 CB TYR A 58 -1.621 3.488 1.814 1.00 0.00 C ATOM 782 CG TYR A 58 -2.313 4.734 1.309 1.00 0.00 C ATOM 783 CD1 TYR A 58 -2.114 5.962 1.928 1.00 0.00 C ATOM 784 CD2 TYR A 58 -3.165 4.684 0.213 1.00 0.00 C ATOM 785 CE1 TYR A 58 -2.744 7.103 1.471 1.00 0.00 C ATOM 786 CE2 TYR A 58 -3.799 5.820 -0.252 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.585 7.027 0.380 1.00 0.00 C ATOM 788 OH TYR A 58 -4.214 8.161 -0.080 1.00 0.00 O ATOM 0 H TYR A 58 -1.665 3.928 4.461 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.407 2.524 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.643 3.761 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.448 2.813 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.455 6.025 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.335 3.740 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.579 8.049 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.458 5.763 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.321 8.797 0.657 1.00 0.00 H new ATOM 798 N GLY A 59 -1.680 0.521 2.266 1.00 0.00 N ATOM 799 CA GLY A 59 -1.044 -0.766 2.479 1.00 0.00 C ATOM 800 C GLY A 59 -0.422 -1.322 1.213 1.00 0.00 C ATOM 801 O GLY A 59 -1.086 -1.429 0.182 1.00 0.00 O ATOM 0 H GLY A 59 -2.081 0.652 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.274 -0.665 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.781 -1.474 2.859 1.00 0.00 H new ATOM 805 N VAL A 60 0.856 -1.676 1.290 1.00 0.00 N ATOM 806 CA VAL A 60 1.569 -2.224 0.141 1.00 0.00 C ATOM 807 C VAL A 60 1.489 -3.746 0.120 1.00 0.00 C ATOM 808 O VAL A 60 1.604 -4.398 1.158 1.00 0.00 O ATOM 809 CB VAL A 60 3.049 -1.797 0.144 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.758 -2.324 -1.095 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.167 -0.283 0.232 1.00 0.00 C ATOM 0 H VAL A 60 1.420 -1.593 2.136 1.00 0.00 H new ATOM 0 HA VAL A 60 1.086 -1.826 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 60 3.532 -2.227 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.803 -2.013 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.704 -3.413 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.276 -1.925 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.219 0.000 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.670 0.171 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.696 0.066 1.151 1.00 0.00 H new ATOM 821 N TYR A 61 1.294 -4.306 -1.068 1.00 0.00 N ATOM 822 CA TYR A 61 1.198 -5.752 -1.225 1.00 0.00 C ATOM 823 C TYR A 61 2.149 -6.247 -2.310 1.00 0.00 C ATOM 824 O TYR A 61 2.499 -5.507 -3.229 1.00 0.00 O ATOM 825 CB TYR A 61 -0.238 -6.155 -1.568 1.00 0.00 C ATOM 826 CG TYR A 61 -1.208 -5.972 -0.422 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.575 -4.703 0.007 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.757 -7.069 0.230 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.460 -4.531 1.054 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.644 -6.907 1.277 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.992 -5.636 1.685 1.00 0.00 C ATOM 832 OH TYR A 61 -3.875 -5.469 2.727 1.00 0.00 O ATOM 0 H TYR A 61 1.199 -3.780 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 61 1.482 -6.214 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.579 -5.565 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.249 -7.200 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.161 -3.836 -0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.486 -8.065 -0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.734 -3.537 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.062 -7.770 1.773 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.157 -6.346 3.061 1.00 0.00 H new ATOM 842 N ALA A 62 2.564 -7.505 -2.196 1.00 0.00 N ATOM 843 CA ALA A 62 3.472 -8.101 -3.167 1.00 0.00 C ATOM 844 C ALA A 62 3.189 -9.589 -3.342 1.00 0.00 C ATOM 845 O ALA A 62 3.515 -10.400 -2.475 1.00 0.00 O ATOM 846 CB ALA A 62 4.917 -7.883 -2.742 1.00 0.00 C ATOM 0 H ALA A 62 2.285 -8.131 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 62 3.309 -7.612 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.584 -8.334 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.119 -6.814 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.084 -8.345 -1.769 1.00 0.00 H new ATOM 852 N LYS A 63 2.580 -9.942 -4.469 1.00 0.00 N ATOM 853 CA LYS A 63 2.253 -11.333 -4.759 1.00 0.00 C ATOM 854 C LYS A 63 1.170 -11.846 -3.815 1.00 0.00 C ATOM 855 O LYS A 63 1.170 -13.014 -3.431 1.00 0.00 O ATOM 856 CB LYS A 63 3.503 -12.208 -4.641 1.00 0.00 C ATOM 857 CG LYS A 63 4.689 -11.684 -5.432 1.00 0.00 C ATOM 858 CD LYS A 63 4.704 -12.239 -6.847 1.00 0.00 C ATOM 859 CE LYS A 63 3.613 -11.613 -7.703 1.00 0.00 C ATOM 860 NZ LYS A 63 3.896 -11.763 -9.157 1.00 0.00 N ATOM 0 H LYS A 63 2.303 -9.283 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 63 1.875 -11.385 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.784 -12.286 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.265 -13.215 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.652 -10.595 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.615 -11.955 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.677 -12.052 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.569 -13.320 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.656 -12.079 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.521 -10.555 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.130 -11.324 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.797 -11.297 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.959 -12.773 -9.396 1.00 0.00 H new ATOM 874 N GLY A 64 0.246 -10.963 -3.446 1.00 0.00 N ATOM 875 CA GLY A 64 -0.830 -11.346 -2.551 1.00 0.00 C ATOM 876 C GLY A 64 -0.390 -11.392 -1.101 1.00 0.00 C ATOM 877 O GLY A 64 -0.951 -12.139 -0.300 1.00 0.00 O ATOM 0 H GLY A 64 0.224 -9.990 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.654 -10.640 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.210 -12.325 -2.843 1.00 0.00 H new ATOM 881 N GLN A 65 0.617 -10.593 -0.764 1.00 0.00 N ATOM 882 CA GLN A 65 1.133 -10.548 0.599 1.00 0.00 C ATOM 883 C GLN A 65 1.554 -9.131 0.975 1.00 0.00 C ATOM 884 O GLN A 65 2.424 -8.541 0.335 1.00 0.00 O ATOM 885 CB GLN A 65 2.320 -11.502 0.749 1.00 0.00 C ATOM 886 CG GLN A 65 1.917 -12.919 1.123 1.00 0.00 C ATOM 887 CD GLN A 65 2.973 -13.628 1.949 1.00 0.00 C ATOM 888 OE1 GLN A 65 2.676 -14.202 2.996 1.00 0.00 O ATOM 889 NE2 GLN A 65 4.215 -13.590 1.480 1.00 0.00 N ATOM 0 H GLN A 65 1.092 -9.968 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 65 0.336 -10.862 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.877 -11.527 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.995 -11.112 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.982 -12.891 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.728 -13.491 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.416 -13.102 0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.968 -14.049 1.993 1.00 0.00 H new ATOM 898 N ARG A 66 0.930 -8.591 2.017 1.00 0.00 N ATOM 899 CA ARG A 66 1.239 -7.243 2.477 1.00 0.00 C ATOM 900 C ARG A 66 2.704 -7.131 2.891 1.00 0.00 C ATOM 901 O ARG A 66 3.196 -7.926 3.692 1.00 0.00 O ATOM 902 CB ARG A 66 0.336 -6.862 3.652 1.00 0.00 C ATOM 903 CG ARG A 66 0.341 -5.376 3.968 1.00 0.00 C ATOM 904 CD ARG A 66 -0.269 -5.094 5.332 1.00 0.00 C ATOM 905 NE ARG A 66 0.474 -5.745 6.408 1.00 0.00 N ATOM 906 CZ ARG A 66 0.213 -6.973 6.842 1.00 0.00 C ATOM 907 NH1 ARG A 66 -0.766 -7.680 6.294 1.00 0.00 N ATOM 908 NH2 ARG A 66 0.933 -7.498 7.826 1.00 0.00 N ATOM 0 H ARG A 66 0.208 -9.066 2.558 1.00 0.00 H new ATOM 0 HA ARG A 66 1.059 -6.555 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.685 -7.174 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.653 -7.414 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.364 -5.001 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.216 -4.838 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.289 -4.018 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.303 -5.439 5.345 1.00 0.00 H new ATOM 0 HE ARG A 66 1.234 -5.229 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.321 -7.281 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.964 -8.623 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.688 -6.958 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.731 -8.441 8.158 1.00 0.00 H new ATOM 922 N VAL A 67 3.396 -6.140 2.339 1.00 0.00 N ATOM 923 CA VAL A 67 4.804 -5.924 2.650 1.00 0.00 C ATOM 924 C VAL A 67 4.984 -4.729 3.580 1.00 0.00 C ATOM 925 O VAL A 67 5.880 -4.715 4.423 1.00 0.00 O ATOM 926 CB VAL A 67 5.633 -5.696 1.373 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.773 -6.992 0.589 1.00 0.00 C ATOM 928 CG2 VAL A 67 5.001 -4.610 0.515 1.00 0.00 C ATOM 0 H VAL A 67 3.004 -5.473 1.674 1.00 0.00 H new ATOM 0 HA VAL A 67 5.160 -6.826 3.148 1.00 0.00 H new ATOM 0 HB VAL A 67 6.630 -5.365 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.362 -6.811 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.273 -7.738 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.785 -7.356 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.600 -4.462 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.992 -4.910 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.958 -3.679 1.080 1.00 0.00 H new ATOM 938 N ALA A 68 4.125 -3.727 3.420 1.00 0.00 N ATOM 939 CA ALA A 68 4.188 -2.529 4.247 1.00 0.00 C ATOM 940 C ALA A 68 2.792 -1.978 4.522 1.00 0.00 C ATOM 941 O ALA A 68 1.798 -2.507 4.027 1.00 0.00 O ATOM 942 CB ALA A 68 5.052 -1.470 3.578 1.00 0.00 C ATOM 0 H ALA A 68 3.378 -3.722 2.726 1.00 0.00 H new ATOM 0 HA ALA A 68 4.639 -2.800 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.090 -0.581 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.061 -1.859 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.625 -1.211 2.609 1.00 0.00 H new ATOM 948 N GLU A 69 2.727 -0.913 5.315 1.00 0.00 N ATOM 949 CA GLU A 69 1.452 -0.292 5.656 1.00 0.00 C ATOM 950 C GLU A 69 1.669 1.041 6.366 1.00 0.00 C ATOM 951 O GLU A 69 2.296 1.099 7.424 1.00 0.00 O ATOM 952 CB GLU A 69 0.626 -1.227 6.542 1.00 0.00 C ATOM 953 CG GLU A 69 1.169 -1.364 7.954 1.00 0.00 C ATOM 954 CD GLU A 69 0.714 -2.642 8.632 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.505 -2.791 8.859 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.576 -3.492 8.937 1.00 0.00 O ATOM 0 H GLU A 69 3.541 -0.463 5.733 1.00 0.00 H new ATOM 0 HA GLU A 69 0.908 -0.106 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.398 -0.858 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.588 -2.213 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.258 -1.341 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.848 -0.508 8.547 1.00 0.00 H new ATOM 963 N VAL A 70 1.145 2.111 5.777 1.00 0.00 N ATOM 964 CA VAL A 70 1.280 3.444 6.353 1.00 0.00 C ATOM 965 C VAL A 70 -0.053 3.944 6.899 1.00 0.00 C ATOM 966 O VAL A 70 -1.030 4.069 6.160 1.00 0.00 O ATOM 967 CB VAL A 70 1.808 4.452 5.315 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.929 4.453 4.074 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.891 5.845 5.921 1.00 0.00 C ATOM 0 H VAL A 70 0.623 2.081 4.901 1.00 0.00 H new ATOM 0 HA VAL A 70 1.997 3.365 7.170 1.00 0.00 H new ATOM 0 HB VAL A 70 2.812 4.149 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.319 5.171 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.926 3.458 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.089 4.730 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.266 6.545 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.900 6.159 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.567 5.830 6.776 1.00 0.00 H new ATOM 979 N ILE A 71 -0.084 4.229 8.196 1.00 0.00 N ATOM 980 CA ILE A 71 -1.297 4.718 8.841 1.00 0.00 C ATOM 981 C ILE A 71 -1.527 6.193 8.533 1.00 0.00 C ATOM 982 O ILE A 71 -1.839 6.983 9.425 1.00 0.00 O ATOM 983 CB ILE A 71 -1.239 4.526 10.368 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.663 3.150 10.709 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.624 4.693 10.975 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.471 2.001 10.149 1.00 0.00 C ATOM 0 H ILE A 71 0.716 4.130 8.821 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.125 4.133 8.441 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.584 5.288 10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.356 3.087 10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.604 3.048 11.793 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.567 4.554 12.055 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.999 5.693 10.757 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.300 3.951 10.549 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.004 1.057 10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.484 2.039 10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.508 2.078 9.062 1.00 0.00 H new ATOM 998 N PHE A 72 -1.372 6.559 7.265 1.00 0.00 N ATOM 999 CA PHE A 72 -1.564 7.940 6.838 1.00 0.00 C ATOM 1000 C PHE A 72 -2.381 8.004 5.551 1.00 0.00 C ATOM 1001 O PHE A 72 -1.949 7.556 4.489 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.211 8.625 6.631 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.273 10.121 6.744 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.975 10.723 7.777 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.370 10.926 5.818 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -1.034 12.100 7.882 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.315 12.304 5.919 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.387 12.891 6.953 1.00 0.00 C ATOM 0 H PHE A 72 -1.114 5.918 6.515 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.113 8.463 7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.497 8.242 7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.175 8.359 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.481 10.109 8.508 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.921 10.472 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.586 12.557 8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.820 12.920 5.190 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.430 13.967 7.035 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.592 8.573 5.647 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.496 8.709 4.501 1.00 0.00 C ATOM 1020 C PRO A 73 -3.991 9.725 3.482 1.00 0.00 C ATOM 1021 O PRO A 73 -4.293 9.629 2.292 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.803 9.191 5.135 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.385 9.870 6.394 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.172 9.127 6.882 1.00 0.00 C ATOM 0 HA PRO A 73 -4.595 7.776 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.335 9.875 4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.475 8.358 5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.153 10.920 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.184 9.843 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.473 9.790 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.439 8.341 7.588 1.00 0.00 H new ATOM 1032 N THR A 74 -3.220 10.698 3.956 1.00 0.00 N ATOM 1033 CA THR A 74 -2.673 11.733 3.086 1.00 0.00 C ATOM 1034 C THR A 74 -1.209 11.460 2.761 1.00 0.00 C ATOM 1035 O THR A 74 -0.453 12.378 2.444 1.00 0.00 O ATOM 1036 CB THR A 74 -2.794 13.128 3.728 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.341 13.083 5.086 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.232 13.621 3.684 1.00 0.00 C ATOM 0 H THR A 74 -2.960 10.792 4.938 1.00 0.00 H new ATOM 0 HA THR A 74 -3.256 11.714 2.165 1.00 0.00 H new ATOM 0 HB THR A 74 -2.172 13.820 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.362 13.121 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.293 14.608 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.564 13.682 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.871 12.927 4.230 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.816 10.193 2.840 1.00 0.00 N ATOM 1047 CA ALA A 75 0.558 9.800 2.551 1.00 0.00 C ATOM 1048 C ALA A 75 0.844 9.867 1.055 1.00 0.00 C ATOM 1049 O ALA A 75 -0.044 9.642 0.232 1.00 0.00 O ATOM 1050 CB ALA A 75 0.829 8.400 3.081 1.00 0.00 C ATOM 0 H ALA A 75 -1.429 9.421 3.102 1.00 0.00 H new ATOM 0 HA ALA A 75 1.224 10.501 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.858 8.120 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.674 8.383 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.149 7.693 2.605 1.00 0.00 H new ATOM 1056 N ASP A 76 2.089 10.177 0.709 1.00 0.00 N ATOM 1057 CA ASP A 76 2.492 10.272 -0.689 1.00 0.00 C ATOM 1058 C ASP A 76 3.657 9.332 -0.984 1.00 0.00 C ATOM 1059 O ASP A 76 4.055 9.163 -2.137 1.00 0.00 O ATOM 1060 CB ASP A 76 2.882 11.711 -1.033 1.00 0.00 C ATOM 1061 CG ASP A 76 4.292 12.049 -0.590 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.657 11.695 0.550 1.00 0.00 O ATOM 1063 OD2 ASP A 76 5.031 12.670 -1.384 1.00 0.00 O ATOM 0 H ASP A 76 2.836 10.367 1.377 1.00 0.00 H new ATOM 0 HA ASP A 76 1.644 9.976 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.797 11.860 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.181 12.398 -0.559 1.00 0.00 H new ATOM 1068 N SER A 77 4.200 8.724 0.065 1.00 0.00 N ATOM 1069 CA SER A 77 5.323 7.804 -0.080 1.00 0.00 C ATOM 1070 C SER A 77 5.523 6.985 1.191 1.00 0.00 C ATOM 1071 O SER A 77 5.404 7.502 2.303 1.00 0.00 O ATOM 1072 CB SER A 77 6.602 8.576 -0.410 1.00 0.00 C ATOM 1073 OG SER A 77 6.367 9.547 -1.415 1.00 0.00 O ATOM 0 H SER A 77 3.881 8.851 1.025 1.00 0.00 H new ATOM 0 HA SER A 77 5.098 7.121 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.979 9.063 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.373 7.882 -0.744 1.00 0.00 H new ATOM 0 HG SER A 77 5.988 9.112 -2.208 1.00 0.00 H new ATOM 1079 N THR A 78 5.827 5.703 1.019 1.00 0.00 N ATOM 1080 CA THR A 78 6.043 4.810 2.151 1.00 0.00 C ATOM 1081 C THR A 78 7.194 3.848 1.882 1.00 0.00 C ATOM 1082 O THR A 78 7.450 3.478 0.736 1.00 0.00 O ATOM 1083 CB THR A 78 4.775 3.998 2.476 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.799 3.578 3.844 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.665 2.781 1.568 1.00 0.00 C ATOM 0 H THR A 78 5.929 5.259 0.106 1.00 0.00 H new ATOM 0 HA THR A 78 6.292 5.439 3.006 1.00 0.00 H new ATOM 0 HB THR A 78 3.908 4.637 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.186 2.823 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.762 2.223 1.816 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.617 3.106 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.537 2.142 1.709 1.00 0.00 H new ATOM 1093 N ALA A 79 7.885 3.447 2.944 1.00 0.00 N ATOM 1094 CA ALA A 79 9.007 2.525 2.821 1.00 0.00 C ATOM 1095 C ALA A 79 8.532 1.076 2.837 1.00 0.00 C ATOM 1096 O ALA A 79 7.553 0.740 3.503 1.00 0.00 O ATOM 1097 CB ALA A 79 10.012 2.765 3.938 1.00 0.00 C ATOM 0 H ALA A 79 7.687 3.746 3.899 1.00 0.00 H new ATOM 0 HA ALA A 79 9.493 2.710 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.845 2.069 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.384 3.788 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.528 2.610 4.902 1.00 0.00 H new ATOM 1103 N VAL A 80 9.232 0.220 2.098 1.00 0.00 N ATOM 1104 CA VAL A 80 8.882 -1.193 2.028 1.00 0.00 C ATOM 1105 C VAL A 80 10.130 -2.067 1.994 1.00 0.00 C ATOM 1106 O VAL A 80 11.130 -1.714 1.369 1.00 0.00 O ATOM 1107 CB VAL A 80 8.022 -1.497 0.787 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.729 -2.987 0.692 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.731 -0.692 0.824 1.00 0.00 C ATOM 0 H VAL A 80 10.045 0.481 1.540 1.00 0.00 H new ATOM 0 HA VAL A 80 8.306 -1.421 2.925 1.00 0.00 H new ATOM 0 HB VAL A 80 8.581 -1.204 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.120 -3.183 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.666 -3.538 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.190 -3.309 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.135 -0.919 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.166 -0.952 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.966 0.372 0.840 1.00 0.00 H new ATOM 1119 N GLU A 81 10.064 -3.210 2.670 1.00 0.00 N ATOM 1120 CA GLU A 81 11.191 -4.136 2.717 1.00 0.00 C ATOM 1121 C GLU A 81 11.308 -4.916 1.411 1.00 0.00 C ATOM 1122 O GLU A 81 10.370 -5.597 0.995 1.00 0.00 O ATOM 1123 CB GLU A 81 11.035 -5.104 3.891 1.00 0.00 C ATOM 1124 CG GLU A 81 11.581 -4.565 5.202 1.00 0.00 C ATOM 1125 CD GLU A 81 10.859 -5.128 6.410 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.665 -5.472 6.281 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.486 -5.226 7.485 1.00 0.00 O ATOM 0 H GLU A 81 9.243 -3.517 3.192 1.00 0.00 H new ATOM 0 HA GLU A 81 12.102 -3.554 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.979 -5.341 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.545 -6.037 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.642 -4.803 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.497 -3.478 5.207 1.00 0.00 H new ATOM 1134 N LEU A 82 12.467 -4.812 0.769 1.00 0.00 N ATOM 1135 CA LEU A 82 12.708 -5.507 -0.491 1.00 0.00 C ATOM 1136 C LEU A 82 12.771 -7.016 -0.276 1.00 0.00 C ATOM 1137 O LEU A 82 12.375 -7.794 -1.145 1.00 0.00 O ATOM 1138 CB LEU A 82 14.011 -5.016 -1.125 1.00 0.00 C ATOM 1139 CG LEU A 82 13.950 -3.654 -1.816 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.298 -2.954 -1.738 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.511 -3.810 -3.265 1.00 0.00 C ATOM 0 H LEU A 82 13.254 -4.254 1.100 1.00 0.00 H new ATOM 0 HA LEU A 82 11.879 -5.288 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.775 -4.973 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.338 -5.757 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 82 13.214 -3.039 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.235 -1.986 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 15.572 -2.808 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.055 -3.566 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.473 -2.830 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.222 -4.444 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.522 -4.268 -3.298 1.00 0.00 H new ATOM 1153 N VAL A 83 13.268 -7.424 0.887 1.00 0.00 N ATOM 1154 CA VAL A 83 13.379 -8.839 1.217 1.00 0.00 C ATOM 1155 C VAL A 83 12.049 -9.557 1.013 1.00 0.00 C ATOM 1156 O VAL A 83 12.011 -10.687 0.527 1.00 0.00 O ATOM 1157 CB VAL A 83 13.840 -9.041 2.673 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.701 -8.755 3.639 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.377 -10.451 2.870 1.00 0.00 C ATOM 0 H VAL A 83 13.600 -6.794 1.617 1.00 0.00 H new ATOM 0 HA VAL A 83 14.125 -9.263 0.545 1.00 0.00 H new ATOM 0 HB VAL A 83 14.646 -8.337 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.046 -8.903 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.368 -7.725 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.872 -9.432 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.698 -10.577 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.593 -11.174 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.225 -10.614 2.204 1.00 0.00 H new ATOM 1169 N ARG A 84 10.961 -8.892 1.387 1.00 0.00 N ATOM 1170 CA ARG A 84 9.629 -9.467 1.245 1.00 0.00 C ATOM 1171 C ARG A 84 9.307 -9.740 -0.221 1.00 0.00 C ATOM 1172 O ARG A 84 8.489 -10.605 -0.538 1.00 0.00 O ATOM 1173 CB ARG A 84 8.579 -8.528 1.843 1.00 0.00 C ATOM 1174 CG ARG A 84 8.676 -8.388 3.353 1.00 0.00 C ATOM 1175 CD ARG A 84 7.494 -7.615 3.918 1.00 0.00 C ATOM 1176 NE ARG A 84 6.373 -8.491 4.247 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.268 -9.149 5.397 1.00 0.00 C ATOM 1178 NH1 ARG A 84 7.210 -9.028 6.322 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.217 -9.927 5.623 1.00 0.00 N ATOM 0 H ARG A 84 10.976 -7.955 1.790 1.00 0.00 H new ATOM 0 HA ARG A 84 9.610 -10.414 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.684 -7.543 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.586 -8.895 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.717 -9.377 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.604 -7.878 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.807 -7.076 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.170 -6.868 3.193 1.00 0.00 H new ATOM 0 HE ARG A 84 5.630 -8.604 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.018 -8.429 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.127 -9.534 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.490 -10.020 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.137 -10.432 6.506 1.00 0.00 H new ATOM 1193 N LEU A 85 9.955 -8.997 -1.111 1.00 0.00 N ATOM 1194 CA LEU A 85 9.738 -9.158 -2.545 1.00 0.00 C ATOM 1195 C LEU A 85 10.588 -10.296 -3.100 1.00 0.00 C ATOM 1196 O LEU A 85 10.254 -10.891 -4.124 1.00 0.00 O ATOM 1197 CB LEU A 85 10.067 -7.857 -3.280 1.00 0.00 C ATOM 1198 CG LEU A 85 9.741 -6.563 -2.532 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.476 -5.387 -3.156 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.240 -6.314 -2.525 1.00 0.00 C ATOM 0 H LEU A 85 10.635 -8.277 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 85 8.688 -9.402 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.130 -7.857 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.527 -7.852 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 85 10.076 -6.668 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.232 -4.475 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.551 -5.562 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.173 -5.279 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.027 -5.389 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.880 -6.230 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.736 -7.144 -2.031 1.00 0.00 H new ATOM 1212 N ARG A 86 11.687 -10.596 -2.415 1.00 0.00 N ATOM 1213 CA ARG A 86 12.584 -11.664 -2.839 1.00 0.00 C ATOM 1214 C ARG A 86 11.939 -13.031 -2.627 1.00 0.00 C ATOM 1215 O ARG A 86 11.826 -13.826 -3.560 1.00 0.00 O ATOM 1216 CB ARG A 86 13.903 -11.587 -2.069 1.00 0.00 C ATOM 1217 CG ARG A 86 14.509 -10.193 -2.037 1.00 0.00 C ATOM 1218 CD ARG A 86 14.815 -9.687 -3.438 1.00 0.00 C ATOM 1219 NE ARG A 86 15.960 -10.374 -4.030 1.00 0.00 N ATOM 1220 CZ ARG A 86 16.202 -10.408 -5.336 1.00 0.00 C ATOM 1221 NH1 ARG A 86 15.384 -9.797 -6.181 1.00 0.00 N ATOM 1222 NH2 ARG A 86 17.265 -11.054 -5.798 1.00 0.00 N ATOM 0 H ARG A 86 11.977 -10.114 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 86 12.784 -11.536 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.737 -11.925 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.618 -12.275 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.821 -9.507 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.425 -10.206 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.940 -9.827 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.014 -8.616 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 86 16.609 -10.854 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.566 -9.299 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.572 -9.825 -7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.897 -11.525 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.450 -11.080 -6.801 1.00 0.00 H new ATOM 1236 N SER A 87 11.518 -13.297 -1.395 1.00 0.00 N ATOM 1237 CA SER A 87 10.889 -14.569 -1.060 1.00 0.00 C ATOM 1238 C SER A 87 9.765 -14.894 -2.039 1.00 0.00 C ATOM 1239 O SER A 87 9.574 -16.048 -2.423 1.00 0.00 O ATOM 1240 CB SER A 87 10.342 -14.531 0.368 1.00 0.00 C ATOM 1241 OG SER A 87 10.360 -15.820 0.956 1.00 0.00 O ATOM 0 H SER A 87 11.601 -12.649 -0.612 1.00 0.00 H new ATOM 0 HA SER A 87 11.646 -15.350 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.937 -13.845 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.322 -14.146 0.360 1.00 0.00 H new ATOM 0 HG SER A 87 10.007 -15.768 1.869 1.00 0.00 H new ATOM 1247 N LEU A 88 9.023 -13.867 -2.439 1.00 0.00 N ATOM 1248 CA LEU A 88 7.917 -14.041 -3.374 1.00 0.00 C ATOM 1249 C LEU A 88 8.364 -13.761 -4.805 1.00 0.00 C ATOM 1250 O LEU A 88 7.659 -14.085 -5.760 1.00 0.00 O ATOM 1251 CB LEU A 88 6.757 -13.116 -3.000 1.00 0.00 C ATOM 1252 CG LEU A 88 6.388 -13.069 -1.517 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.825 -11.705 -1.150 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.389 -14.167 -1.181 1.00 0.00 C ATOM 0 H LEU A 88 9.167 -12.906 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 88 7.582 -15.077 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.005 -12.105 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.876 -13.424 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 88 7.292 -13.236 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.568 -11.690 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.571 -10.937 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.932 -11.509 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.138 -14.118 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.485 -14.031 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.828 -15.139 -1.406 1.00 0.00 H new ATOM 1266 N GLU A 89 9.541 -13.159 -4.945 1.00 0.00 N ATOM 1267 CA GLU A 89 10.082 -12.838 -6.260 1.00 0.00 C ATOM 1268 C GLU A 89 9.153 -11.891 -7.015 1.00 0.00 C ATOM 1269 O GLU A 89 8.977 -12.012 -8.227 1.00 0.00 O ATOM 1270 CB GLU A 89 10.298 -14.115 -7.074 1.00 0.00 C ATOM 1271 CG GLU A 89 11.212 -15.122 -6.396 1.00 0.00 C ATOM 1272 CD GLU A 89 10.970 -16.542 -6.870 1.00 0.00 C ATOM 1273 OE1 GLU A 89 9.795 -16.963 -6.906 1.00 0.00 O ATOM 1274 OE2 GLU A 89 11.956 -17.231 -7.204 1.00 0.00 O ATOM 0 H GLU A 89 10.137 -12.884 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 89 11.041 -12.341 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.332 -14.583 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.719 -13.851 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.250 -14.851 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.064 -15.073 -5.317 1.00 0.00 H new ATOM 1281 N ALA A 90 8.559 -10.950 -6.288 1.00 0.00 N ATOM 1282 CA ALA A 90 7.648 -9.983 -6.887 1.00 0.00 C ATOM 1283 C ALA A 90 8.415 -8.896 -7.633 1.00 0.00 C ATOM 1284 O ALA A 90 9.249 -8.200 -7.052 1.00 0.00 O ATOM 1285 CB ALA A 90 6.757 -9.365 -5.820 1.00 0.00 C ATOM 0 H ALA A 90 8.693 -10.837 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 90 7.021 -10.509 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.082 -8.645 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.175 -10.148 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.375 -8.859 -5.078 1.00 0.00 H new ATOM 1291 N LYS A 91 8.130 -8.755 -8.923 1.00 0.00 N ATOM 1292 CA LYS A 91 8.792 -7.753 -9.749 1.00 0.00 C ATOM 1293 C LYS A 91 8.003 -6.447 -9.756 1.00 0.00 C ATOM 1294 O LYS A 91 8.099 -5.658 -10.695 1.00 0.00 O ATOM 1295 CB LYS A 91 8.957 -8.269 -11.180 1.00 0.00 C ATOM 1296 CG LYS A 91 10.165 -9.171 -11.365 1.00 0.00 C ATOM 1297 CD LYS A 91 11.455 -8.371 -11.420 1.00 0.00 C ATOM 1298 CE LYS A 91 12.673 -9.281 -11.472 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.942 -8.505 -11.552 1.00 0.00 N ATOM 0 H LYS A 91 7.444 -9.323 -9.420 1.00 0.00 H new ATOM 0 HA LYS A 91 9.777 -7.561 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.058 -8.816 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.042 -7.419 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.215 -9.887 -10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.053 -9.746 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.446 -7.723 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.520 -7.723 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.690 -9.915 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.596 -9.942 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.748 -9.161 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.937 -7.918 -12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.028 -7.893 -10.715 1.00 0.00 H new ATOM 1313 N GLY A 92 7.224 -6.225 -8.701 1.00 0.00 N ATOM 1314 CA GLY A 92 6.432 -5.013 -8.607 1.00 0.00 C ATOM 1315 C GLY A 92 5.607 -4.957 -7.336 1.00 0.00 C ATOM 1316 O GLY A 92 5.360 -5.983 -6.702 1.00 0.00 O ATOM 0 H GLY A 92 7.128 -6.863 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.093 -4.147 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.769 -4.948 -9.470 1.00 0.00 H new ATOM 1320 N VAL A 93 5.181 -3.755 -6.961 1.00 0.00 N ATOM 1321 CA VAL A 93 4.380 -3.569 -5.757 1.00 0.00 C ATOM 1322 C VAL A 93 3.135 -2.740 -6.048 1.00 0.00 C ATOM 1323 O VAL A 93 3.013 -2.133 -7.113 1.00 0.00 O ATOM 1324 CB VAL A 93 5.193 -2.882 -4.643 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.251 -3.826 -4.093 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.827 -1.600 -5.161 1.00 0.00 C ATOM 0 H VAL A 93 5.377 -2.895 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 93 4.081 -4.561 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 93 4.515 -2.623 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.815 -3.323 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.769 -4.713 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.929 -4.120 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.398 -1.127 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.492 -1.833 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.046 -0.919 -5.501 1.00 0.00 H new ATOM 1336 N THR A 94 2.210 -2.716 -5.093 1.00 0.00 N ATOM 1337 CA THR A 94 0.972 -1.962 -5.247 1.00 0.00 C ATOM 1338 C THR A 94 0.605 -1.239 -3.956 1.00 0.00 C ATOM 1339 O THR A 94 1.228 -1.451 -2.915 1.00 0.00 O ATOM 1340 CB THR A 94 -0.196 -2.877 -5.660 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.583 -3.705 -4.558 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.192 -3.748 -6.845 1.00 0.00 C ATOM 0 H THR A 94 2.295 -3.210 -4.205 1.00 0.00 H new ATOM 0 HA THR A 94 1.144 -1.229 -6.035 1.00 0.00 H new ATOM 0 HB THR A 94 -1.036 -2.247 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.082 -4.480 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.649 -4.386 -7.119 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.457 -3.114 -7.691 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.046 -4.369 -6.576 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.411 -0.385 -4.029 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.863 0.368 -2.865 1.00 0.00 C ATOM 1352 C VAL A 95 -2.382 0.333 -2.744 1.00 0.00 C ATOM 1353 O VAL A 95 -3.098 0.655 -3.693 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.397 1.834 -2.930 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.681 2.544 -1.615 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.082 1.908 -3.277 1.00 0.00 C ATOM 0 H VAL A 95 -0.937 -0.197 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.421 -0.107 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.957 2.340 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.345 3.579 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.752 2.522 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.150 2.040 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.394 2.952 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.661 1.386 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.252 1.439 -4.246 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.868 -0.059 -1.571 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.303 -0.136 -1.326 1.00 0.00 C ATOM 1368 C ARG A 96 -4.718 0.829 -0.220 1.00 0.00 C ATOM 1369 O ARG A 96 -4.086 0.891 0.836 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.701 -1.564 -0.947 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.049 -2.628 -1.814 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.429 -4.028 -1.357 1.00 0.00 C ATOM 1373 NE ARG A 96 -5.678 -4.482 -1.962 1.00 0.00 N ATOM 1374 CZ ARG A 96 -6.025 -5.760 -2.063 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.219 -6.707 -1.602 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -7.179 -6.094 -2.627 1.00 0.00 N ATOM 0 H ARG A 96 -2.289 -0.328 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.819 0.147 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.434 -1.742 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.784 -1.662 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.351 -2.488 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.966 -2.514 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.629 -4.722 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.527 -4.041 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.320 -3.778 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.331 -6.454 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.487 -7.688 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.801 -5.369 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.444 -7.076 -2.704 1.00 0.00 H new ATOM 1390 N THR A 97 -5.784 1.583 -0.469 1.00 0.00 N ATOM 1391 CA THR A 97 -6.283 2.547 0.504 1.00 0.00 C ATOM 1392 C THR A 97 -6.965 1.845 1.673 1.00 0.00 C ATOM 1393 O THR A 97 -8.104 1.390 1.559 1.00 0.00 O ATOM 1394 CB THR A 97 -7.277 3.532 -0.140 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.732 4.054 -1.356 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.598 4.676 0.811 1.00 0.00 C ATOM 0 H THR A 97 -6.319 1.545 -1.337 1.00 0.00 H new ATOM 0 HA THR A 97 -5.420 3.102 0.871 1.00 0.00 H new ATOM 0 HB THR A 97 -8.199 2.993 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.392 4.636 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.302 5.359 0.335 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.041 4.277 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.682 5.213 1.057 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.263 1.762 2.798 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.801 1.116 3.990 1.00 0.00 C ATOM 1406 C LEU A 98 -7.869 1.986 4.646 1.00 0.00 C ATOM 1407 O LEU A 98 -7.752 3.211 4.677 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.679 0.827 4.988 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.418 0.183 4.412 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.350 0.044 5.486 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.742 -1.173 3.802 1.00 0.00 C ATOM 0 H LEU A 98 -5.320 2.134 2.910 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.261 0.175 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.397 1.764 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.072 0.175 5.768 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.031 0.830 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.460 -0.416 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.096 1.030 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.727 -0.581 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.832 -1.616 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.154 -1.828 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.472 -1.047 3.002 1.00 0.00 H new ATOM 1423 N SER A 99 -8.908 1.345 5.171 1.00 0.00 N ATOM 1424 CA SER A 99 -9.997 2.060 5.825 1.00 0.00 C ATOM 1425 C SER A 99 -10.616 1.212 6.932 1.00 0.00 C ATOM 1426 O SER A 99 -10.188 0.085 7.178 1.00 0.00 O ATOM 1427 CB SER A 99 -11.068 2.446 4.803 1.00 0.00 C ATOM 1428 OG SER A 99 -11.600 1.299 4.164 1.00 0.00 O ATOM 0 H SER A 99 -9.018 0.331 5.156 1.00 0.00 H new ATOM 0 HA SER A 99 -9.588 2.966 6.271 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.869 2.994 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.639 3.115 4.057 1.00 0.00 H new ATOM 0 HG SER A 99 -10.972 0.985 3.480 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.626 1.764 7.596 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.306 1.059 8.676 1.00 0.00 C ATOM 1436 C ALA A 100 -13.298 0.039 8.126 1.00 0.00 C ATOM 1437 O ALA A 100 -13.601 -0.959 8.780 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.016 2.049 9.588 1.00 0.00 C ATOM 0 H ALA A 100 -11.991 2.697 7.405 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.555 0.522 9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.519 1.509 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.287 2.737 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.751 2.611 9.012 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.799 0.296 6.922 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.757 -0.600 6.287 1.00 0.00 C ATOM 1446 C GLN A 101 -14.041 -1.685 5.488 1.00 0.00 C ATOM 1447 O GLN A 101 -14.424 -2.853 5.529 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.695 0.189 5.371 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.909 0.757 6.088 1.00 0.00 C ATOM 1450 CD GLN A 101 -16.535 1.598 7.293 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -16.929 1.298 8.420 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -15.768 2.657 7.061 1.00 0.00 N ATOM 0 H GLN A 101 -13.557 1.117 6.367 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.344 -1.079 7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -15.139 1.007 4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -16.031 -0.460 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -17.487 1.364 5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.554 -0.062 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.464 2.868 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.483 3.259 7.833 1.00 0.00 H new ATOM 1461 N GLY A 102 -13.000 -1.289 4.763 1.00 0.00 N ATOM 1462 CA GLY A 102 -12.248 -2.239 3.965 1.00 0.00 C ATOM 1463 C GLY A 102 -11.317 -1.561 2.979 1.00 0.00 C ATOM 1464 O GLY A 102 -11.616 -0.477 2.480 1.00 0.00 O ATOM 0 H GLY A 102 -12.664 -0.327 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.667 -2.883 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.941 -2.882 3.422 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.185 -2.200 2.700 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.207 -1.649 1.770 1.00 0.00 C ATOM 1470 C GLU A 103 -9.763 -1.622 0.349 1.00 0.00 C ATOM 1471 O GLU A 103 -10.879 -2.075 0.099 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.915 -2.468 1.809 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.607 -3.055 3.176 1.00 0.00 C ATOM 1474 CD GLU A 103 -8.194 -4.441 3.361 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -7.525 -5.424 2.978 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -9.321 -4.543 3.889 1.00 0.00 O ATOM 0 H GLU A 103 -9.923 -3.099 3.105 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.989 -0.626 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.986 -3.278 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.084 -1.834 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.527 -3.101 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.998 -2.393 3.948 1.00 0.00 H new ATOM 1483 N SER A 104 -8.975 -1.087 -0.578 1.00 0.00 N ATOM 1484 CA SER A 104 -9.389 -0.996 -1.974 1.00 0.00 C ATOM 1485 C SER A 104 -8.489 -1.848 -2.864 1.00 0.00 C ATOM 1486 O SER A 104 -7.567 -2.508 -2.384 1.00 0.00 O ATOM 1487 CB SER A 104 -9.358 0.460 -2.443 1.00 0.00 C ATOM 1488 OG SER A 104 -8.078 1.033 -2.244 1.00 0.00 O ATOM 0 H SER A 104 -8.046 -0.710 -0.388 1.00 0.00 H new ATOM 0 HA SER A 104 -10.409 -1.373 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.622 0.511 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.106 1.036 -1.899 1.00 0.00 H new ATOM 0 HG SER A 104 -8.084 1.963 -2.553 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.763 -1.828 -4.164 1.00 0.00 N ATOM 1495 CA VAL A 105 -7.979 -2.597 -5.123 1.00 0.00 C ATOM 1496 C VAL A 105 -6.506 -2.209 -5.064 1.00 0.00 C ATOM 1497 O VAL A 105 -6.125 -1.284 -4.347 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.495 -2.394 -6.560 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -9.880 -3.002 -6.721 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.507 -0.916 -6.918 1.00 0.00 C ATOM 0 H VAL A 105 -9.523 -1.287 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.087 -3.647 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.819 -2.904 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.228 -2.849 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.835 -4.070 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.571 -2.523 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.874 -0.791 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.160 -0.380 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.496 -0.516 -6.845 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.682 -2.923 -5.824 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.249 -2.653 -5.860 1.00 0.00 C ATOM 1512 C ASP A 106 -3.921 -1.600 -6.913 1.00 0.00 C ATOM 1513 O ASP A 106 -4.203 -1.782 -8.097 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.473 -3.939 -6.148 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.240 -4.888 -7.048 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -4.998 -5.726 -6.517 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.081 -4.794 -8.283 1.00 0.00 O ATOM 0 H ASP A 106 -5.982 -3.692 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.952 -2.270 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.521 -3.689 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.244 -4.440 -5.208 1.00 0.00 H new ATOM 1522 N SER A 107 -3.323 -0.496 -6.473 1.00 0.00 N ATOM 1523 CA SER A 107 -2.961 0.589 -7.378 1.00 0.00 C ATOM 1524 C SER A 107 -2.050 0.085 -8.493 1.00 0.00 C ATOM 1525 O SER A 107 -1.674 -1.086 -8.521 1.00 0.00 O ATOM 1526 CB SER A 107 -2.268 1.714 -6.606 1.00 0.00 C ATOM 1527 OG SER A 107 -1.082 1.250 -5.984 1.00 0.00 O ATOM 0 H SER A 107 -3.079 -0.330 -5.496 1.00 0.00 H new ATOM 0 HA SER A 107 -3.876 0.976 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.030 2.532 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.946 2.113 -5.852 1.00 0.00 H new ATOM 0 HG SER A 107 -0.698 0.521 -6.515 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.700 0.980 -9.411 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.832 0.628 -10.528 1.00 0.00 C ATOM 1535 C ALA A 108 0.427 -0.082 -10.042 1.00 0.00 C ATOM 1536 O ALA A 108 1.294 0.527 -9.416 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.464 1.873 -11.323 1.00 0.00 C ATOM 0 H ALA A 108 -2.004 1.954 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.377 -0.057 -11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.184 1.596 -12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.370 2.339 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.058 2.577 -10.675 1.00 0.00 H new ATOM 1543 N VAL A 109 0.521 -1.376 -10.334 1.00 0.00 N ATOM 1544 CA VAL A 109 1.674 -2.170 -9.927 1.00 0.00 C ATOM 1545 C VAL A 109 2.977 -1.513 -10.368 1.00 0.00 C ATOM 1546 O VAL A 109 3.337 -1.553 -11.544 1.00 0.00 O ATOM 1547 CB VAL A 109 1.608 -3.595 -10.509 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.495 -3.548 -12.025 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.825 -4.401 -10.081 1.00 0.00 C ATOM 0 H VAL A 109 -0.188 -1.896 -10.851 1.00 0.00 H new ATOM 0 HA VAL A 109 1.650 -2.228 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 109 0.718 -4.088 -10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.450 -4.564 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.590 -3.009 -12.306 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.364 -3.037 -12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.762 -5.405 -10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.730 -3.913 -10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.856 -4.464 -8.993 1.00 0.00 H new ATOM 1559 N ALA A 110 3.680 -0.908 -9.417 1.00 0.00 N ATOM 1560 CA ALA A 110 4.945 -0.244 -9.706 1.00 0.00 C ATOM 1561 C ALA A 110 6.089 -1.249 -9.774 1.00 0.00 C ATOM 1562 O ALA A 110 6.632 -1.656 -8.747 1.00 0.00 O ATOM 1563 CB ALA A 110 5.235 0.820 -8.657 1.00 0.00 C ATOM 0 H ALA A 110 3.395 -0.864 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 110 4.860 0.237 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.183 1.308 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.436 1.561 -8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.295 0.354 -7.673 1.00 0.00 H new ATOM 1569 N ALA A 111 6.451 -1.646 -10.990 1.00 0.00 N ATOM 1570 CA ALA A 111 7.532 -2.602 -11.191 1.00 0.00 C ATOM 1571 C ALA A 111 8.833 -2.097 -10.577 1.00 0.00 C ATOM 1572 O ALA A 111 9.407 -1.110 -11.038 1.00 0.00 O ATOM 1573 CB ALA A 111 7.720 -2.882 -12.675 1.00 0.00 C ATOM 0 H ALA A 111 6.011 -1.320 -11.850 1.00 0.00 H new ATOM 0 HA ALA A 111 7.260 -3.531 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.531 -3.598 -12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.799 -3.295 -13.087 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.965 -1.954 -13.192 1.00 0.00 H new ATOM 1579 N VAL A 112 9.295 -2.780 -9.534 1.00 0.00 N ATOM 1580 CA VAL A 112 10.529 -2.401 -8.857 1.00 0.00 C ATOM 1581 C VAL A 112 11.737 -2.598 -9.766 1.00 0.00 C ATOM 1582 O VAL A 112 11.889 -3.628 -10.423 1.00 0.00 O ATOM 1583 CB VAL A 112 10.733 -3.215 -7.565 1.00 0.00 C ATOM 1584 CG1 VAL A 112 12.073 -2.879 -6.929 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.593 -2.962 -6.591 1.00 0.00 C ATOM 0 H VAL A 112 8.833 -3.599 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 112 10.439 -1.345 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 112 10.734 -4.275 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.200 -3.463 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.876 -3.116 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.104 -1.817 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.753 -3.545 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.558 -1.902 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.650 -3.258 -7.050 1.00 0.00 H new ATOM 1595 N PRO A 113 12.619 -1.589 -9.805 1.00 0.00 N ATOM 1596 CA PRO A 113 13.831 -1.628 -10.629 1.00 0.00 C ATOM 1597 C PRO A 113 14.854 -2.631 -10.107 1.00 0.00 C ATOM 1598 O PRO A 113 14.993 -2.843 -8.903 1.00 0.00 O ATOM 1599 CB PRO A 113 14.378 -0.202 -10.523 1.00 0.00 C ATOM 1600 CG PRO A 113 13.849 0.312 -9.228 1.00 0.00 C ATOM 1601 CD PRO A 113 12.501 -0.331 -9.048 1.00 0.00 C ATOM 0 HA PRO A 113 13.620 -1.943 -11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.468 -0.194 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.045 0.413 -11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.516 0.057 -8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.764 1.399 -9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.280 -0.514 -7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.700 0.298 -9.437 1.00 0.00 H new ATOM 1609 N PRO A 114 15.589 -3.264 -11.034 1.00 0.00 N ATOM 1610 CA PRO A 114 16.613 -4.255 -10.691 1.00 0.00 C ATOM 1611 C PRO A 114 17.827 -3.624 -10.018 1.00 0.00 C ATOM 1612 O PRO A 114 18.581 -4.300 -9.318 1.00 0.00 O ATOM 1613 CB PRO A 114 17.002 -4.848 -12.048 1.00 0.00 C ATOM 1614 CG PRO A 114 16.679 -3.779 -13.034 1.00 0.00 C ATOM 1615 CD PRO A 114 15.476 -3.060 -12.488 1.00 0.00 C ATOM 0 HA PRO A 114 16.244 -4.993 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.060 -5.108 -12.078 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.444 -5.761 -12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.519 -3.096 -13.157 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.467 -4.204 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.488 -2.001 -12.748 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.547 -3.474 -12.881 1.00 0.00 H new ATOM 1623 N GLU A 115 18.010 -2.325 -10.234 1.00 0.00 N ATOM 1624 CA GLU A 115 19.134 -1.604 -9.648 1.00 0.00 C ATOM 1625 C GLU A 115 18.953 -1.447 -8.141 1.00 0.00 C ATOM 1626 O GLU A 115 19.927 -1.348 -7.394 1.00 0.00 O ATOM 1627 CB GLU A 115 19.283 -0.229 -10.301 1.00 0.00 C ATOM 1628 CG GLU A 115 18.239 0.777 -9.848 1.00 0.00 C ATOM 1629 CD GLU A 115 18.096 1.942 -10.808 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.102 2.643 -11.044 1.00 0.00 O ATOM 1631 OE2 GLU A 115 16.977 2.153 -11.322 1.00 0.00 O ATOM 0 H GLU A 115 17.395 -1.751 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 115 20.039 -2.184 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.275 0.164 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.221 -0.342 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.277 0.275 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.508 1.155 -8.862 1.00 0.00 H new ATOM 1638 N LEU A 116 17.699 -1.424 -7.701 1.00 0.00 N ATOM 1639 CA LEU A 116 17.388 -1.278 -6.284 1.00 0.00 C ATOM 1640 C LEU A 116 17.269 -2.640 -5.609 1.00 0.00 C ATOM 1641 O LEU A 116 17.620 -2.799 -4.439 1.00 0.00 O ATOM 1642 CB LEU A 116 16.088 -0.491 -6.105 1.00 0.00 C ATOM 1643 CG LEU A 116 16.064 0.912 -6.711 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.703 1.559 -6.505 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.163 1.774 -6.106 1.00 0.00 C ATOM 0 H LEU A 116 16.882 -1.505 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 116 18.204 -0.730 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.274 -1.068 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.881 -0.408 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 116 16.245 0.827 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.705 2.557 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.935 0.953 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.492 1.631 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.130 2.769 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.013 1.852 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.133 1.319 -6.306 1.00 0.00 H new ATOM 1657 N LEU A 117 16.773 -3.622 -6.354 1.00 0.00 N ATOM 1658 CA LEU A 117 16.609 -4.973 -5.830 1.00 0.00 C ATOM 1659 C LEU A 117 17.958 -5.582 -5.463 1.00 0.00 C ATOM 1660 O LEU A 117 18.092 -6.251 -4.438 1.00 0.00 O ATOM 1661 CB LEU A 117 15.899 -5.858 -6.856 1.00 0.00 C ATOM 1662 CG LEU A 117 14.421 -5.551 -7.098 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.988 -6.053 -8.467 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.562 -6.170 -6.005 1.00 0.00 C ATOM 0 H LEU A 117 16.477 -3.507 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 117 16.000 -4.914 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.427 -5.774 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.986 -6.896 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 117 14.285 -4.470 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.933 -5.825 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.581 -5.563 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.139 -7.131 -8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.513 -5.941 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.703 -7.251 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.854 -5.762 -5.038 1.00 0.00 H new ATOM 1676 N VAL A 118 18.958 -5.345 -6.307 1.00 0.00 N ATOM 1677 CA VAL A 118 20.298 -5.867 -6.070 1.00 0.00 C ATOM 1678 C VAL A 118 21.012 -5.077 -4.979 1.00 0.00 C ATOM 1679 O VAL A 118 20.950 -3.848 -4.927 1.00 0.00 O ATOM 1680 CB VAL A 118 21.149 -5.832 -7.354 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.188 -4.425 -7.931 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.555 -6.342 -7.075 1.00 0.00 C ATOM 0 H VAL A 118 18.865 -4.795 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 118 20.181 -6.902 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 118 20.689 -6.489 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.794 -4.420 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.175 -4.101 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.624 -3.744 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.142 -6.310 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 118 23.027 -5.713 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.504 -7.368 -6.712 1.00 0.00 H new