USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 101 SER OG : rot -90:sc= -0.544 USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HD1:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -126:sc= -1.72! (180deg=-4.79!) USER MOD Single : A 17 ASN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 23 THR OG1 : rot 85:sc= 0.221 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.11 (180deg=-0.626) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.581 K(o=-0.58,f=-4.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 68:sc= 0.916 USER MOD Single : A 53 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 TYR OH : rot 165:sc= -0.421 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-3.3!) USER MOD Single : A 89 LYS NZ :NH3+ -109:sc= 1.09 (180deg=0.154) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.751 K(o=-0.75,f=-4.1!) USER MOD Single : A 113 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.4!) USER MOD Single : A 115 MET CE :methyl -170:sc= -0.325 (180deg=-0.683) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.618 4.867 -6.529 1.00 0.00 N ATOM 177 CA LYS A 15 -12.508 3.714 -6.456 1.00 0.00 C ATOM 178 C LYS A 15 -11.934 2.534 -7.233 1.00 0.00 C ATOM 179 O LYS A 15 -11.238 2.716 -8.232 1.00 0.00 O ATOM 180 CB LYS A 15 -13.890 4.075 -7.003 1.00 0.00 C ATOM 181 CG LYS A 15 -14.906 2.952 -6.880 1.00 0.00 C ATOM 182 CD LYS A 15 -15.689 3.048 -5.582 1.00 0.00 C ATOM 183 CE LYS A 15 -15.003 2.286 -4.458 1.00 0.00 C ATOM 184 NZ LYS A 15 -14.074 3.157 -3.685 1.00 0.00 N ATOM 0 HA LYS A 15 -12.603 3.425 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.264 4.951 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.795 4.354 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.594 2.989 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.394 1.991 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.799 4.095 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.693 2.651 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.756 1.872 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.450 1.444 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.130 2.721 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.011 4.089 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.431 3.270 -2.715 1.00 0.00 H new ATOM 198 N ARG A 16 -12.232 1.324 -6.770 1.00 0.00 N ATOM 199 CA ARG A 16 -11.747 0.115 -7.422 1.00 0.00 C ATOM 200 C ARG A 16 -12.889 -0.630 -8.107 1.00 0.00 C ATOM 201 O ARG A 16 -14.017 -0.642 -7.617 1.00 0.00 O ATOM 202 CB ARG A 16 -11.065 -0.801 -6.404 1.00 0.00 C ATOM 203 CG ARG A 16 -10.527 -2.089 -7.007 1.00 0.00 C ATOM 204 CD ARG A 16 -10.263 -3.137 -5.937 1.00 0.00 C ATOM 205 NE ARG A 16 -10.214 -4.486 -6.493 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.292 -5.232 -6.708 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.497 -4.762 -6.416 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.167 -6.451 -7.218 1.00 0.00 N ATOM 0 H ARG A 16 -12.808 1.156 -5.945 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.021 0.409 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.244 -0.260 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.777 -1.048 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.242 -2.479 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.605 -1.881 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.319 -2.916 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.044 -3.086 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.302 -4.877 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.598 -3.825 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.323 -5.337 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.242 -6.816 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.996 -7.022 -7.382 1.00 0.00 H new ATOM 222 N ASN A 17 -12.588 -1.250 -9.243 1.00 0.00 N ATOM 223 CA ASN A 17 -13.590 -1.996 -9.996 1.00 0.00 C ATOM 224 C ASN A 17 -13.396 -3.499 -9.818 1.00 0.00 C ATOM 225 O ASN A 17 -12.274 -4.004 -9.771 1.00 0.00 O ATOM 226 CB ASN A 17 -13.517 -1.634 -11.480 1.00 0.00 C ATOM 227 CG ASN A 17 -13.946 -0.204 -11.748 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.071 0.049 -12.177 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.047 0.741 -11.494 1.00 0.00 N ATOM 0 H ASN A 17 -11.658 -1.251 -9.663 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.573 -1.726 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.497 -1.777 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.152 -2.314 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.278 1.721 -11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.125 0.486 -11.139 1.00 0.00 H new ATOM 236 N PRO A 18 -14.514 -4.232 -9.718 1.00 0.00 N ATOM 237 CA PRO A 18 -14.494 -5.688 -9.545 1.00 0.00 C ATOM 238 C PRO A 18 -14.014 -6.414 -10.797 1.00 0.00 C ATOM 239 O PRO A 18 -13.243 -7.368 -10.715 1.00 0.00 O ATOM 240 CB PRO A 18 -15.958 -6.031 -9.256 1.00 0.00 C ATOM 241 CG PRO A 18 -16.737 -4.930 -9.887 1.00 0.00 C ATOM 242 CD PRO A 18 -15.885 -3.697 -9.765 1.00 0.00 C ATOM 0 HA PRO A 18 -13.806 -5.995 -8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.228 -6.999 -9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.147 -6.086 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.952 -5.154 -10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.695 -4.793 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.026 -3.026 -10.613 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.126 -3.130 -8.866 1.00 0.00 H new ATOM 250 N ASN A 19 -14.476 -5.954 -11.955 1.00 0.00 N ATOM 251 CA ASN A 19 -14.093 -6.560 -13.225 1.00 0.00 C ATOM 252 C ASN A 19 -12.580 -6.517 -13.415 1.00 0.00 C ATOM 253 O ASN A 19 -11.977 -7.476 -13.896 1.00 0.00 O ATOM 254 CB ASN A 19 -14.784 -5.842 -14.386 1.00 0.00 C ATOM 255 CG ASN A 19 -16.268 -5.643 -14.142 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.989 -6.590 -13.829 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.730 -4.407 -14.285 1.00 0.00 N ATOM 0 H ASN A 19 -15.116 -5.164 -12.040 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.410 -7.603 -13.211 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.311 -4.873 -14.543 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.643 -6.417 -15.301 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.720 -4.212 -14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.095 -3.652 -14.546 1.00 0.00 H new ATOM 264 N ALA A 20 -11.973 -5.399 -13.031 1.00 0.00 N ATOM 265 CA ALA A 20 -10.530 -5.232 -13.156 1.00 0.00 C ATOM 266 C ALA A 20 -9.787 -6.430 -12.577 1.00 0.00 C ATOM 267 O ALA A 20 -10.051 -6.875 -11.460 1.00 0.00 O ATOM 268 CB ALA A 20 -10.086 -3.950 -12.468 1.00 0.00 C ATOM 0 H ALA A 20 -12.458 -4.596 -12.631 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.287 -5.165 -14.216 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.006 -3.838 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.584 -3.098 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.349 -3.994 -11.411 1.00 0.00 H new ATOM 274 N PRO A 21 -8.834 -6.968 -13.354 1.00 0.00 N ATOM 275 CA PRO A 21 -8.033 -8.123 -12.938 1.00 0.00 C ATOM 276 C PRO A 21 -7.061 -7.780 -11.815 1.00 0.00 C ATOM 277 O PRO A 21 -6.372 -6.761 -11.865 1.00 0.00 O ATOM 278 CB PRO A 21 -7.269 -8.501 -14.210 1.00 0.00 C ATOM 279 CG PRO A 21 -7.197 -7.238 -14.997 1.00 0.00 C ATOM 280 CD PRO A 21 -8.466 -6.490 -14.697 1.00 0.00 C ATOM 0 HA PRO A 21 -8.653 -8.927 -12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.274 -8.879 -13.977 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.786 -9.284 -14.764 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.323 -6.652 -14.715 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.110 -7.447 -16.063 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.310 -5.411 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.244 -6.709 -15.429 1.00 0.00 H new ATOM 288 N VAL A 22 -7.009 -8.638 -10.801 1.00 0.00 N ATOM 289 CA VAL A 22 -6.119 -8.426 -9.665 1.00 0.00 C ATOM 290 C VAL A 22 -4.659 -8.590 -10.072 1.00 0.00 C ATOM 291 O VAL A 22 -4.230 -9.675 -10.465 1.00 0.00 O ATOM 292 CB VAL A 22 -6.433 -9.404 -8.517 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.422 -9.247 -7.391 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.849 -9.189 -8.006 1.00 0.00 C ATOM 0 H VAL A 22 -7.572 -9.486 -10.743 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.284 -7.405 -9.320 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.360 -10.422 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.659 -9.946 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.421 -9.455 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.460 -8.227 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.053 -9.888 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.952 -8.168 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.558 -9.356 -8.817 1.00 0.00 H new ATOM 304 N THR A 23 -3.898 -7.504 -9.976 1.00 0.00 N ATOM 305 CA THR A 23 -2.486 -7.526 -10.336 1.00 0.00 C ATOM 306 C THR A 23 -1.689 -8.402 -9.377 1.00 0.00 C ATOM 307 O THR A 23 -1.072 -9.387 -9.786 1.00 0.00 O ATOM 308 CB THR A 23 -1.885 -6.108 -10.337 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.804 -5.186 -10.934 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.566 -6.080 -11.095 1.00 0.00 C ATOM 0 H THR A 23 -4.236 -6.598 -9.652 1.00 0.00 H new ATOM 0 HA THR A 23 -2.422 -7.941 -11.342 1.00 0.00 H new ATOM 0 HB THR A 23 -1.698 -5.816 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.447 -4.882 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.160 -5.068 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.141 -6.760 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.732 -6.391 -12.126 1.00 0.00 H new ATOM 318 N LYS A 24 -1.705 -8.040 -8.099 1.00 0.00 N ATOM 319 CA LYS A 24 -0.985 -8.795 -7.080 1.00 0.00 C ATOM 320 C LYS A 24 -1.723 -8.749 -5.746 1.00 0.00 C ATOM 321 O LYS A 24 -2.349 -7.745 -5.406 1.00 0.00 O ATOM 322 CB LYS A 24 0.432 -8.240 -6.911 1.00 0.00 C ATOM 323 CG LYS A 24 1.371 -9.183 -6.180 1.00 0.00 C ATOM 324 CD LYS A 24 2.764 -8.591 -6.046 1.00 0.00 C ATOM 325 CE LYS A 24 3.625 -9.401 -5.089 1.00 0.00 C ATOM 326 NZ LYS A 24 4.051 -10.697 -5.687 1.00 0.00 N ATOM 0 H LYS A 24 -2.209 -7.228 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.926 -9.833 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.846 -8.019 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.381 -7.297 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.971 -9.401 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.427 -10.130 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.241 -8.556 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.691 -7.563 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.506 -8.821 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.068 -9.590 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.664 -11.204 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.212 -11.276 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.575 -10.518 -6.567 1.00 0.00 H new ATOM 340 N ALA A 25 -1.643 -9.841 -4.992 1.00 0.00 N ATOM 341 CA ALA A 25 -2.300 -9.923 -3.694 1.00 0.00 C ATOM 342 C ALA A 25 -1.418 -10.639 -2.677 1.00 0.00 C ATOM 343 O ALA A 25 -0.935 -11.742 -2.926 1.00 0.00 O ATOM 344 CB ALA A 25 -3.640 -10.631 -3.825 1.00 0.00 C ATOM 0 H ALA A 25 -1.129 -10.681 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.472 -8.908 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.120 -10.685 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.279 -10.077 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.483 -11.639 -4.209 1.00 0.00 H new ATOM 350 N GLY A 26 -1.211 -10.002 -1.528 1.00 0.00 N ATOM 351 CA GLY A 26 -0.386 -10.593 -0.490 1.00 0.00 C ATOM 352 C GLY A 26 -0.448 -9.818 0.811 1.00 0.00 C ATOM 353 O GLY A 26 -0.609 -8.598 0.807 1.00 0.00 O ATOM 0 H GLY A 26 -1.600 -9.088 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.709 -11.619 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.647 -10.638 -0.833 1.00 0.00 H new ATOM 357 N TRP A 27 -0.321 -10.527 1.927 1.00 0.00 N ATOM 358 CA TRP A 27 -0.364 -9.898 3.242 1.00 0.00 C ATOM 359 C TRP A 27 0.906 -9.098 3.505 1.00 0.00 C ATOM 360 O TRP A 27 1.994 -9.662 3.625 1.00 0.00 O ATOM 361 CB TRP A 27 -0.550 -10.956 4.330 1.00 0.00 C ATOM 362 CG TRP A 27 -1.967 -11.423 4.470 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.545 -12.488 3.840 1.00 0.00 C ATOM 364 CD2 TRP A 27 -2.985 -10.839 5.289 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.861 -12.601 4.219 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.155 -11.602 5.108 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.021 -9.747 6.161 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.346 -11.305 5.765 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.205 -9.453 6.812 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.354 -10.230 6.612 1.00 0.00 C ATOM 0 H TRP A 27 -0.187 -11.538 1.947 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.212 -9.214 3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.086 -11.812 4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.213 -10.549 5.284 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.042 -13.145 3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.513 -13.314 3.891 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.140 -9.144 6.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.233 -11.902 5.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.245 -8.610 7.486 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.263 -9.976 7.136 1.00 0.00 H new ATOM 381 N LEU A 28 0.762 -7.780 3.593 1.00 0.00 N ATOM 382 CA LEU A 28 1.900 -6.901 3.842 1.00 0.00 C ATOM 383 C LEU A 28 1.748 -6.179 5.177 1.00 0.00 C ATOM 384 O LEU A 28 0.700 -6.253 5.819 1.00 0.00 O ATOM 385 CB LEU A 28 2.039 -5.881 2.711 1.00 0.00 C ATOM 386 CG LEU A 28 2.787 -6.358 1.466 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.653 -5.342 0.341 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.253 -6.609 1.788 1.00 0.00 C ATOM 0 H LEU A 28 -0.131 -7.297 3.496 1.00 0.00 H new ATOM 0 HA LEU A 28 2.800 -7.515 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.041 -5.563 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.550 -5.001 3.103 1.00 0.00 H new ATOM 0 HG LEU A 28 2.342 -7.297 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.192 -5.698 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.600 -5.211 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.071 -4.388 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.770 -6.948 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.711 -5.686 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.330 -7.373 2.561 1.00 0.00 H new ATOM 400 N PHE A 29 2.799 -5.479 5.589 1.00 0.00 N ATOM 401 CA PHE A 29 2.783 -4.743 6.847 1.00 0.00 C ATOM 402 C PHE A 29 2.941 -3.245 6.603 1.00 0.00 C ATOM 403 O PHE A 29 3.927 -2.800 6.015 1.00 0.00 O ATOM 404 CB PHE A 29 3.898 -5.240 7.769 1.00 0.00 C ATOM 405 CG PHE A 29 3.815 -6.709 8.071 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.149 -7.648 7.108 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.403 -7.152 9.317 1.00 0.00 C ATOM 408 CE1 PHE A 29 4.075 -9.001 7.382 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.327 -8.503 9.598 1.00 0.00 C ATOM 410 CZ PHE A 29 3.662 -9.429 8.628 1.00 0.00 C ATOM 0 H PHE A 29 3.674 -5.406 5.069 1.00 0.00 H new ATOM 0 HA PHE A 29 1.820 -4.916 7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.862 -5.026 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.861 -4.682 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.471 -7.319 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.138 -6.433 10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.340 -9.722 6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.006 -8.835 10.574 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.601 -10.485 8.844 1.00 0.00 H new ATOM 420 N LYS A 30 1.961 -2.471 7.057 1.00 0.00 N ATOM 421 CA LYS A 30 1.989 -1.023 6.889 1.00 0.00 C ATOM 422 C LYS A 30 2.266 -0.326 8.218 1.00 0.00 C ATOM 423 O LYS A 30 1.454 -0.386 9.141 1.00 0.00 O ATOM 424 CB LYS A 30 0.661 -0.530 6.311 1.00 0.00 C ATOM 425 CG LYS A 30 0.672 0.940 5.928 1.00 0.00 C ATOM 426 CD LYS A 30 -0.727 1.447 5.621 1.00 0.00 C ATOM 427 CE LYS A 30 -0.858 2.934 5.914 1.00 0.00 C ATOM 428 NZ LYS A 30 -0.670 3.233 7.361 1.00 0.00 N ATOM 0 H LYS A 30 1.137 -2.823 7.544 1.00 0.00 H new ATOM 0 HA LYS A 30 2.794 -0.779 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.415 -1.124 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.129 -0.700 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.102 1.525 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.312 1.085 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.961 1.260 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.454 0.893 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.121 3.485 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.841 3.282 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.174 4.110 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.048 2.448 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.344 3.350 7.562 1.00 0.00 H new ATOM 442 N GLN A 31 3.416 0.334 8.306 1.00 0.00 N ATOM 443 CA GLN A 31 3.799 1.042 9.522 1.00 0.00 C ATOM 444 C GLN A 31 2.734 2.060 9.917 1.00 0.00 C ATOM 445 O GLN A 31 2.053 2.624 9.061 1.00 0.00 O ATOM 446 CB GLN A 31 5.144 1.743 9.327 1.00 0.00 C ATOM 447 CG GLN A 31 5.944 1.892 10.611 1.00 0.00 C ATOM 448 CD GLN A 31 6.831 3.122 10.607 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.475 4.160 11.167 1.00 0.00 O ATOM 450 NE2 GLN A 31 7.993 3.012 9.974 1.00 0.00 N ATOM 0 H GLN A 31 4.099 0.393 7.550 1.00 0.00 H new ATOM 0 HA GLN A 31 3.892 0.310 10.325 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.735 1.182 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.971 2.731 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.259 1.946 11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.560 1.005 10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.247 2.133 9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.631 3.807 9.938 1.00 0.00 H new ATOM 459 N ALA A 32 2.595 2.288 11.219 1.00 0.00 N ATOM 460 CA ALA A 32 1.614 3.239 11.727 1.00 0.00 C ATOM 461 C ALA A 32 2.257 4.593 12.010 1.00 0.00 C ATOM 462 O ALA A 32 2.935 4.770 13.022 1.00 0.00 O ATOM 463 CB ALA A 32 0.953 2.694 12.985 1.00 0.00 C ATOM 0 H ALA A 32 3.149 1.827 11.941 1.00 0.00 H new ATOM 0 HA ALA A 32 0.852 3.381 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.223 3.414 13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.451 1.754 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.711 2.523 13.749 1.00 0.00 H new ATOM 536 N GLN A 38 3.400 0.876 15.349 1.00 0.00 N ATOM 537 CA GLN A 38 3.530 -0.571 15.225 1.00 0.00 C ATOM 538 C GLN A 38 3.046 -1.046 13.860 1.00 0.00 C ATOM 539 O GLN A 38 1.970 -0.660 13.403 1.00 0.00 O ATOM 540 CB GLN A 38 2.740 -1.271 16.332 1.00 0.00 C ATOM 541 CG GLN A 38 1.237 -1.264 16.104 1.00 0.00 C ATOM 542 CD GLN A 38 0.476 -1.976 17.205 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.126 -3.150 17.075 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.216 -1.269 18.299 1.00 0.00 N ATOM 0 HA GLN A 38 4.585 -0.826 15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.082 -2.303 16.414 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.957 -0.786 17.284 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.889 -0.233 16.035 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.016 -1.740 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.525 -0.299 18.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.292 -1.696 19.073 1.00 0.00 H new ATOM 553 N TRP A 39 3.847 -1.885 13.213 1.00 0.00 N ATOM 554 CA TRP A 39 3.500 -2.413 11.898 1.00 0.00 C ATOM 555 C TRP A 39 2.177 -3.170 11.948 1.00 0.00 C ATOM 556 O TRP A 39 2.060 -4.191 12.623 1.00 0.00 O ATOM 557 CB TRP A 39 4.609 -3.333 11.386 1.00 0.00 C ATOM 558 CG TRP A 39 5.915 -2.629 11.177 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.870 -2.375 12.120 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.410 -2.088 9.947 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.928 -1.708 11.551 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.670 -1.520 10.219 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.911 -2.028 8.643 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.435 -0.902 9.233 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.672 -1.414 7.667 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.923 -0.858 7.965 1.00 0.00 C ATOM 0 H TRP A 39 4.741 -2.214 13.577 1.00 0.00 H new ATOM 0 HA TRP A 39 3.391 -1.572 11.213 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.753 -4.147 12.096 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.292 -3.783 10.445 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.803 -2.657 13.160 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.769 -1.403 12.041 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.948 -2.454 8.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.399 -0.472 9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.296 -1.362 6.656 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.494 -0.386 7.179 1.00 0.00 H new ATOM 577 N ASN A 40 1.182 -2.662 11.227 1.00 0.00 N ATOM 578 CA ASN A 40 -0.133 -3.290 11.189 1.00 0.00 C ATOM 579 C ASN A 40 -0.258 -4.218 9.985 1.00 0.00 C ATOM 580 O ASN A 40 -0.189 -3.777 8.837 1.00 0.00 O ATOM 581 CB ASN A 40 -1.230 -2.225 11.143 1.00 0.00 C ATOM 582 CG ASN A 40 -0.904 -1.021 12.007 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.381 -0.018 11.521 1.00 0.00 O ATOM 584 ND2 ASN A 40 -1.211 -1.118 13.295 1.00 0.00 N ATOM 0 H ASN A 40 1.262 -1.817 10.661 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.251 -3.883 12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.375 -1.901 10.112 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.172 -2.663 11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.014 -0.341 13.926 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.644 -1.969 13.653 1.00 0.00 H new ATOM 591 N LYS A 41 -0.444 -5.506 10.253 1.00 0.00 N ATOM 592 CA LYS A 41 -0.581 -6.497 9.193 1.00 0.00 C ATOM 593 C LYS A 41 -1.981 -6.458 8.589 1.00 0.00 C ATOM 594 O LYS A 41 -2.965 -6.773 9.258 1.00 0.00 O ATOM 595 CB LYS A 41 -0.287 -7.898 9.735 1.00 0.00 C ATOM 596 CG LYS A 41 -0.217 -8.965 8.656 1.00 0.00 C ATOM 597 CD LYS A 41 -0.345 -10.361 9.244 1.00 0.00 C ATOM 598 CE LYS A 41 0.074 -11.427 8.244 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.084 -12.800 8.798 1.00 0.00 N ATOM 0 H LYS A 41 -0.503 -5.888 11.197 1.00 0.00 H new ATOM 0 HA LYS A 41 0.140 -6.258 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.659 -7.878 10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.060 -8.170 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.012 -8.801 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.728 -8.880 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.272 -10.438 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.376 -10.534 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.524 -11.330 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.114 -11.268 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.212 -13.498 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.506 -12.901 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.081 -12.961 9.047 1.00 0.00 H new ATOM 613 N ARG A 42 -2.063 -6.070 7.321 1.00 0.00 N ATOM 614 CA ARG A 42 -3.343 -5.990 6.627 1.00 0.00 C ATOM 615 C ARG A 42 -3.249 -6.618 5.239 1.00 0.00 C ATOM 616 O ARG A 42 -2.159 -6.772 4.689 1.00 0.00 O ATOM 617 CB ARG A 42 -3.793 -4.533 6.510 1.00 0.00 C ATOM 618 CG ARG A 42 -4.019 -3.855 7.851 1.00 0.00 C ATOM 619 CD ARG A 42 -5.437 -4.076 8.354 1.00 0.00 C ATOM 620 NE ARG A 42 -5.543 -3.879 9.798 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.688 -3.629 10.424 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.818 -3.547 9.736 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.703 -3.462 11.740 1.00 0.00 N ATOM 0 H ARG A 42 -1.258 -5.806 6.753 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.079 -6.545 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.042 -3.974 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.716 -4.492 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.308 -4.243 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.828 -2.786 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.113 -3.390 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.758 -5.087 8.102 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.691 -3.937 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.810 -3.676 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.696 -3.355 10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.835 -3.525 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.582 -3.270 12.220 1.00 0.00 H new ATOM 637 N TRP A 43 -4.399 -6.978 4.681 1.00 0.00 N ATOM 638 CA TRP A 43 -4.447 -7.590 3.357 1.00 0.00 C ATOM 639 C TRP A 43 -4.282 -6.539 2.265 1.00 0.00 C ATOM 640 O TRP A 43 -5.118 -5.647 2.118 1.00 0.00 O ATOM 641 CB TRP A 43 -5.767 -8.339 3.167 1.00 0.00 C ATOM 642 CG TRP A 43 -5.845 -9.082 1.868 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.816 -8.965 0.914 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.918 -10.059 1.381 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.547 -9.810 -0.136 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.388 -10.491 0.126 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.735 -10.608 1.883 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.717 -11.447 -0.632 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.070 -11.557 1.130 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.561 -11.968 -0.116 1.00 0.00 C ATOM 0 H TRP A 43 -5.310 -6.857 5.124 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.622 -8.298 3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.899 -9.043 3.989 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.591 -7.628 3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.669 -8.306 0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.118 -9.913 -0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.348 -10.296 2.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.095 -11.766 -1.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.156 -11.989 1.509 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.017 -12.711 -0.681 1.00 0.00 H new ATOM 661 N PHE A 44 -3.200 -6.650 1.502 1.00 0.00 N ATOM 662 CA PHE A 44 -2.926 -5.708 0.423 1.00 0.00 C ATOM 663 C PHE A 44 -3.316 -6.299 -0.928 1.00 0.00 C ATOM 664 O PHE A 44 -3.219 -7.508 -1.140 1.00 0.00 O ATOM 665 CB PHE A 44 -1.444 -5.325 0.416 1.00 0.00 C ATOM 666 CG PHE A 44 -1.125 -4.150 1.296 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.621 -4.080 2.588 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.328 -3.116 0.831 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.329 -2.999 3.399 1.00 0.00 C ATOM 670 CE2 PHE A 44 -0.032 -2.033 1.638 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.532 -1.976 2.924 1.00 0.00 C ATOM 0 H PHE A 44 -2.499 -7.383 1.611 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.525 -4.814 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.854 -6.182 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.141 -5.097 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.242 -4.879 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.067 -3.157 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.724 -2.955 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.589 -1.233 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.300 -1.133 3.557 1.00 0.00 H new ATOM 681 N VAL A 45 -3.758 -5.438 -1.839 1.00 0.00 N ATOM 682 CA VAL A 45 -4.163 -5.874 -3.170 1.00 0.00 C ATOM 683 C VAL A 45 -3.882 -4.796 -4.211 1.00 0.00 C ATOM 684 O VAL A 45 -4.117 -3.611 -3.972 1.00 0.00 O ATOM 685 CB VAL A 45 -5.660 -6.234 -3.212 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.047 -6.751 -4.589 1.00 0.00 C ATOM 687 CG2 VAL A 45 -5.991 -7.259 -2.137 1.00 0.00 C ATOM 0 H VAL A 45 -3.845 -4.434 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.576 -6.763 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.238 -5.332 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.108 -7.000 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.848 -5.982 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.463 -7.642 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.053 -7.502 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.405 -8.163 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.753 -6.847 -1.156 1.00 0.00 H new ATOM 697 N LEU A 46 -3.377 -5.214 -5.366 1.00 0.00 N ATOM 698 CA LEU A 46 -3.063 -4.284 -6.445 1.00 0.00 C ATOM 699 C LEU A 46 -4.017 -4.474 -7.621 1.00 0.00 C ATOM 700 O LEU A 46 -3.999 -5.508 -8.288 1.00 0.00 O ATOM 701 CB LEU A 46 -1.619 -4.479 -6.909 1.00 0.00 C ATOM 702 CG LEU A 46 -1.098 -3.462 -7.925 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.867 -2.114 -7.262 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.184 -3.966 -8.574 1.00 0.00 C ATOM 0 H LEU A 46 -3.176 -6.191 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.181 -3.270 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.970 -4.453 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.529 -5.475 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.851 -3.336 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.496 -1.404 -8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.805 -1.748 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.133 -2.222 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.541 -3.230 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.943 -4.121 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.013 -4.908 -9.085 1.00 0.00 H new ATOM 716 N VAL A 47 -4.847 -3.466 -7.871 1.00 0.00 N ATOM 717 CA VAL A 47 -5.805 -3.520 -8.969 1.00 0.00 C ATOM 718 C VAL A 47 -5.946 -2.159 -9.642 1.00 0.00 C ATOM 719 O VAL A 47 -6.029 -1.129 -8.972 1.00 0.00 O ATOM 720 CB VAL A 47 -7.190 -3.986 -8.482 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.264 -3.616 -9.494 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.186 -5.484 -8.220 1.00 0.00 C ATOM 0 H VAL A 47 -4.875 -2.603 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.420 -4.241 -9.691 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.417 -3.477 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.236 -3.953 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.282 -2.534 -9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.045 -4.095 -10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.172 -5.796 -7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.938 -6.014 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.445 -5.718 -7.455 1.00 0.00 H new ATOM 732 N ASP A 48 -5.974 -2.163 -10.970 1.00 0.00 N ATOM 733 CA ASP A 48 -6.107 -0.928 -11.735 1.00 0.00 C ATOM 734 C ASP A 48 -4.985 0.047 -11.393 1.00 0.00 C ATOM 735 O ASP A 48 -5.237 1.198 -11.036 1.00 0.00 O ATOM 736 CB ASP A 48 -7.465 -0.279 -11.464 1.00 0.00 C ATOM 737 CG ASP A 48 -7.933 0.587 -12.617 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.845 0.130 -13.775 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.387 1.722 -12.361 1.00 0.00 O ATOM 0 H ASP A 48 -5.906 -3.007 -11.539 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.037 -1.176 -12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.205 -1.057 -11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.401 0.327 -10.561 1.00 0.00 H new ATOM 744 N ARG A 49 -3.746 -0.422 -11.504 1.00 0.00 N ATOM 745 CA ARG A 49 -2.586 0.408 -11.204 1.00 0.00 C ATOM 746 C ARG A 49 -2.785 1.169 -9.896 1.00 0.00 C ATOM 747 O ARG A 49 -2.222 2.247 -9.703 1.00 0.00 O ATOM 748 CB ARG A 49 -2.327 1.392 -12.345 1.00 0.00 C ATOM 749 CG ARG A 49 -0.917 1.959 -12.354 1.00 0.00 C ATOM 750 CD ARG A 49 -0.499 2.393 -13.750 1.00 0.00 C ATOM 751 NE ARG A 49 -0.538 1.286 -14.702 1.00 0.00 N ATOM 752 CZ ARG A 49 0.068 1.311 -15.883 1.00 0.00 C ATOM 753 NH1 ARG A 49 0.758 2.380 -16.256 1.00 0.00 N ATOM 754 NH2 ARG A 49 -0.014 0.264 -16.695 1.00 0.00 N ATOM 0 H ARG A 49 -3.520 -1.372 -11.799 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.721 -0.247 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.514 0.891 -13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.039 2.214 -12.273 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.862 2.810 -11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.220 1.209 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.158 3.190 -14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.509 2.805 -13.715 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.059 0.448 -14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.824 3.186 -15.635 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.222 2.396 -17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.543 -0.561 -16.412 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.452 0.284 -17.602 1.00 0.00 H new ATOM 768 N CYS A 50 -3.589 0.602 -9.004 1.00 0.00 N ATOM 769 CA CYS A 50 -3.864 1.228 -7.715 1.00 0.00 C ATOM 770 C CYS A 50 -3.758 0.211 -6.584 1.00 0.00 C ATOM 771 O CYS A 50 -4.026 -0.976 -6.774 1.00 0.00 O ATOM 772 CB CYS A 50 -5.255 1.862 -7.720 1.00 0.00 C ATOM 773 SG CYS A 50 -5.494 3.110 -9.006 1.00 0.00 S ATOM 0 H CYS A 50 -4.062 -0.290 -9.149 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.119 2.006 -7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.000 1.077 -7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.438 2.319 -6.747 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.474 2.539 -10.174 1.00 0.00 H new ATOM 779 N LEU A 51 -3.365 0.683 -5.406 1.00 0.00 N ATOM 780 CA LEU A 51 -3.223 -0.185 -4.242 1.00 0.00 C ATOM 781 C LEU A 51 -4.450 -0.095 -3.341 1.00 0.00 C ATOM 782 O LEU A 51 -4.970 0.993 -3.090 1.00 0.00 O ATOM 783 CB LEU A 51 -1.967 0.189 -3.453 1.00 0.00 C ATOM 784 CG LEU A 51 -1.350 -0.924 -2.605 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.103 -0.608 -2.285 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.149 -1.125 -1.326 1.00 0.00 C ATOM 0 H LEU A 51 -3.139 1.662 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.131 -1.212 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.213 0.543 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.210 1.025 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.381 -1.851 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.525 -1.411 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.668 -0.516 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.158 0.330 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.696 -1.921 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.151 -0.200 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.174 -1.398 -1.576 1.00 0.00 H new ATOM 798 N PHE A 52 -4.907 -1.244 -2.856 1.00 0.00 N ATOM 799 CA PHE A 52 -6.073 -1.294 -1.981 1.00 0.00 C ATOM 800 C PHE A 52 -5.848 -2.270 -0.830 1.00 0.00 C ATOM 801 O PHE A 52 -5.626 -3.462 -1.047 1.00 0.00 O ATOM 802 CB PHE A 52 -7.316 -1.703 -2.775 1.00 0.00 C ATOM 803 CG PHE A 52 -7.570 -0.838 -3.977 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.826 0.516 -3.831 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.554 -1.380 -5.252 1.00 0.00 C ATOM 806 CE1 PHE A 52 -8.060 1.314 -4.935 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.787 -0.586 -6.359 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.041 0.762 -6.200 1.00 0.00 C ATOM 0 H PHE A 52 -4.488 -2.153 -3.054 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.227 -0.298 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.207 -2.738 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.186 -1.664 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.843 0.953 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.357 -2.434 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.257 2.368 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.770 -1.020 -7.348 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.224 1.383 -7.064 1.00 0.00 H new ATOM 818 N TYR A 53 -5.905 -1.756 0.393 1.00 0.00 N ATOM 819 CA TYR A 53 -5.704 -2.581 1.579 1.00 0.00 C ATOM 820 C TYR A 53 -7.031 -2.861 2.279 1.00 0.00 C ATOM 821 O TYR A 53 -7.741 -1.939 2.680 1.00 0.00 O ATOM 822 CB TYR A 53 -4.740 -1.893 2.547 1.00 0.00 C ATOM 823 CG TYR A 53 -5.334 -0.688 3.240 1.00 0.00 C ATOM 824 CD1 TYR A 53 -6.019 -0.821 4.442 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.211 0.583 2.693 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.564 0.277 5.078 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.752 1.687 3.323 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.428 1.529 4.515 1.00 0.00 C ATOM 829 OH TYR A 53 -6.969 2.626 5.146 1.00 0.00 O ATOM 0 H TYR A 53 -6.089 -0.772 0.590 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.274 -3.531 1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.419 -2.613 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.849 -1.585 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.127 -1.800 4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.683 0.710 1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.094 0.156 6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.646 2.668 2.885 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.590 3.444 4.762 1.00 0.00 H new ATOM 839 N TYR A 54 -7.358 -4.140 2.422 1.00 0.00 N ATOM 840 CA TYR A 54 -8.599 -4.544 3.071 1.00 0.00 C ATOM 841 C TYR A 54 -8.335 -5.049 4.486 1.00 0.00 C ATOM 842 O TYR A 54 -7.199 -5.364 4.844 1.00 0.00 O ATOM 843 CB TYR A 54 -9.298 -5.630 2.252 1.00 0.00 C ATOM 844 CG TYR A 54 -9.638 -5.201 0.842 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.702 -5.303 -0.180 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.893 -4.694 0.533 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.007 -4.912 -1.469 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.208 -4.302 -0.754 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.261 -4.412 -1.751 1.00 0.00 C ATOM 850 OH TYR A 54 -10.570 -4.021 -3.034 1.00 0.00 O ATOM 0 H TYR A 54 -6.780 -4.915 2.097 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.248 -3.670 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.657 -6.511 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.214 -5.926 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.719 -5.695 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.636 -4.604 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.268 -4.997 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.190 -3.912 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.541 -3.923 -3.121 1.00 0.00 H new ATOM 860 N LYS A 55 -9.392 -5.126 5.287 1.00 0.00 N ATOM 861 CA LYS A 55 -9.278 -5.595 6.663 1.00 0.00 C ATOM 862 C LYS A 55 -8.766 -7.031 6.708 1.00 0.00 C ATOM 863 O LYS A 55 -8.064 -7.421 7.640 1.00 0.00 O ATOM 864 CB LYS A 55 -10.632 -5.502 7.370 1.00 0.00 C ATOM 865 CG LYS A 55 -11.703 -6.383 6.750 1.00 0.00 C ATOM 866 CD LYS A 55 -12.967 -6.400 7.593 1.00 0.00 C ATOM 867 CE LYS A 55 -14.080 -7.183 6.912 1.00 0.00 C ATOM 868 NZ LYS A 55 -13.949 -8.648 7.142 1.00 0.00 N ATOM 0 H LYS A 55 -10.339 -4.869 5.007 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.561 -4.956 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.506 -5.779 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.971 -4.466 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.937 -6.022 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.323 -7.399 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.751 -6.843 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.298 -5.378 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.045 -6.842 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.063 -6.981 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.726 -9.146 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.039 -8.979 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.990 -8.844 8.162 1.00 0.00 H new ATOM 882 N ASP A 56 -9.123 -7.813 5.694 1.00 0.00 N ATOM 883 CA ASP A 56 -8.698 -9.205 5.617 1.00 0.00 C ATOM 884 C ASP A 56 -8.852 -9.743 4.197 1.00 0.00 C ATOM 885 O ASP A 56 -9.220 -9.007 3.282 1.00 0.00 O ATOM 886 CB ASP A 56 -9.507 -10.063 6.591 1.00 0.00 C ATOM 887 CG ASP A 56 -8.725 -11.259 7.096 1.00 0.00 C ATOM 888 OD1 ASP A 56 -7.965 -11.101 8.075 1.00 0.00 O ATOM 889 OD2 ASP A 56 -8.872 -12.354 6.513 1.00 0.00 O ATOM 0 H ASP A 56 -9.705 -7.506 4.915 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.644 -9.253 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.817 -9.451 7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.416 -10.409 6.098 1.00 0.00 H new ATOM 894 N GLU A 57 -8.569 -11.030 4.023 1.00 0.00 N ATOM 895 CA GLU A 57 -8.675 -11.664 2.714 1.00 0.00 C ATOM 896 C GLU A 57 -10.097 -11.554 2.170 1.00 0.00 C ATOM 897 O GLU A 57 -10.308 -11.494 0.959 1.00 0.00 O ATOM 898 CB GLU A 57 -8.263 -13.135 2.800 1.00 0.00 C ATOM 899 CG GLU A 57 -9.147 -13.962 3.718 1.00 0.00 C ATOM 900 CD GLU A 57 -9.092 -15.444 3.400 1.00 0.00 C ATOM 901 OE1 GLU A 57 -7.975 -15.970 3.212 1.00 0.00 O ATOM 902 OE2 GLU A 57 -10.167 -16.078 3.340 1.00 0.00 O ATOM 0 H GLU A 57 -8.265 -11.653 4.771 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.002 -11.145 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.285 -13.569 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.233 -13.195 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.839 -13.804 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.177 -13.614 3.635 1.00 0.00 H new ATOM 909 N LYS A 58 -11.070 -11.529 3.075 1.00 0.00 N ATOM 910 CA LYS A 58 -12.472 -11.427 2.688 1.00 0.00 C ATOM 911 C LYS A 58 -12.672 -10.323 1.655 1.00 0.00 C ATOM 912 O LYS A 58 -13.517 -10.437 0.768 1.00 0.00 O ATOM 913 CB LYS A 58 -13.342 -11.153 3.917 1.00 0.00 C ATOM 914 CG LYS A 58 -13.426 -12.327 4.877 1.00 0.00 C ATOM 915 CD LYS A 58 -14.521 -13.300 4.473 1.00 0.00 C ATOM 916 CE LYS A 58 -14.939 -14.184 5.638 1.00 0.00 C ATOM 917 NZ LYS A 58 -16.272 -14.807 5.411 1.00 0.00 N ATOM 0 H LYS A 58 -10.913 -11.578 4.082 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.770 -12.376 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.944 -10.288 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.348 -10.890 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.468 -12.846 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.617 -11.961 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.385 -12.745 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.170 -13.923 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.194 -14.965 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.966 -13.591 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.521 -15.402 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.988 -14.062 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.240 -15.393 4.553 1.00 0.00 H new ATOM 931 N GLU A 59 -11.888 -9.256 1.775 1.00 0.00 N ATOM 932 CA GLU A 59 -11.980 -8.133 0.850 1.00 0.00 C ATOM 933 C GLU A 59 -13.411 -7.611 0.769 1.00 0.00 C ATOM 934 O GLU A 59 -13.934 -7.372 -0.319 1.00 0.00 O ATOM 935 CB GLU A 59 -11.497 -8.548 -0.541 1.00 0.00 C ATOM 936 CG GLU A 59 -9.985 -8.527 -0.692 1.00 0.00 C ATOM 937 CD GLU A 59 -9.529 -8.987 -2.063 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.639 -10.197 -2.349 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.063 -8.136 -2.850 1.00 0.00 O ATOM 0 H GLU A 59 -11.183 -9.146 2.503 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.341 -7.334 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.861 -9.552 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.937 -7.882 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.620 -7.516 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.539 -9.167 0.069 1.00 0.00 H new ATOM 946 N GLU A 60 -14.039 -7.437 1.928 1.00 0.00 N ATOM 947 CA GLU A 60 -15.410 -6.945 1.988 1.00 0.00 C ATOM 948 C GLU A 60 -15.518 -5.559 1.359 1.00 0.00 C ATOM 949 O GLU A 60 -16.253 -5.360 0.391 1.00 0.00 O ATOM 950 CB GLU A 60 -15.896 -6.899 3.438 1.00 0.00 C ATOM 951 CG GLU A 60 -16.361 -8.245 3.967 1.00 0.00 C ATOM 952 CD GLU A 60 -17.585 -8.767 3.240 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.710 -8.372 3.614 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.420 -9.569 2.298 1.00 0.00 O ATOM 0 H GLU A 60 -13.620 -7.630 2.838 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.041 -7.632 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.090 -6.528 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.716 -6.185 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.551 -8.968 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.585 -8.156 5.030 1.00 0.00 H new ATOM 961 N SER A 61 -14.782 -4.603 1.916 1.00 0.00 N ATOM 962 CA SER A 61 -14.798 -3.234 1.414 1.00 0.00 C ATOM 963 C SER A 61 -13.444 -2.563 1.622 1.00 0.00 C ATOM 964 O SER A 61 -12.788 -2.768 2.644 1.00 0.00 O ATOM 965 CB SER A 61 -15.893 -2.425 2.111 1.00 0.00 C ATOM 966 OG SER A 61 -16.235 -1.275 1.359 1.00 0.00 O ATOM 0 H SER A 61 -14.167 -4.751 2.716 1.00 0.00 H new ATOM 0 HA SER A 61 -15.007 -3.268 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.777 -3.048 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.553 -2.127 3.103 1.00 0.00 H new ATOM 0 HG SER A 61 -16.938 -0.776 1.825 1.00 0.00 H new ATOM 972 N ILE A 62 -13.031 -1.762 0.645 1.00 0.00 N ATOM 973 CA ILE A 62 -11.756 -1.060 0.721 1.00 0.00 C ATOM 974 C ILE A 62 -11.769 -0.017 1.833 1.00 0.00 C ATOM 975 O ILE A 62 -12.652 0.840 1.885 1.00 0.00 O ATOM 976 CB ILE A 62 -11.414 -0.370 -0.612 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.215 -1.412 -1.715 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.168 0.491 -0.458 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.044 -0.809 -3.092 1.00 0.00 C ATOM 0 H ILE A 62 -13.561 -1.583 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.995 -1.809 0.938 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.246 0.275 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.338 -2.015 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.072 -2.086 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.939 0.972 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.344 1.253 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.328 -0.135 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.908 -1.605 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.931 -0.229 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.170 -0.157 -3.098 1.00 0.00 H new ATOM 991 N LEU A 63 -10.782 -0.093 2.719 1.00 0.00 N ATOM 992 CA LEU A 63 -10.677 0.847 3.830 1.00 0.00 C ATOM 993 C LEU A 63 -10.007 2.143 3.386 1.00 0.00 C ATOM 994 O LEU A 63 -10.396 3.231 3.808 1.00 0.00 O ATOM 995 CB LEU A 63 -9.888 0.220 4.981 1.00 0.00 C ATOM 996 CG LEU A 63 -10.407 -1.122 5.497 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.449 -1.705 6.525 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.799 -0.964 6.092 1.00 0.00 C ATOM 0 H LEU A 63 -10.043 -0.796 2.690 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.685 1.080 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.856 0.088 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.874 0.925 5.812 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.470 -1.812 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.835 -2.660 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.472 -1.856 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.353 -1.017 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.152 -1.930 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.762 -0.257 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.481 -0.592 5.328 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.999 2.018 2.528 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.292 3.188 2.039 1.00 0.00 C ATOM 1012 C GLY A 64 -7.577 2.926 0.728 1.00 0.00 C ATOM 1013 O GLY A 64 -6.989 1.862 0.535 1.00 0.00 O ATOM 0 H GLY A 64 -8.659 1.128 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.999 4.007 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.567 3.510 2.787 1.00 0.00 H new ATOM 1017 N SER A 65 -7.627 3.899 -0.176 1.00 0.00 N ATOM 1018 CA SER A 65 -6.983 3.767 -1.478 1.00 0.00 C ATOM 1019 C SER A 65 -5.837 4.764 -1.621 1.00 0.00 C ATOM 1020 O SER A 65 -5.933 5.906 -1.169 1.00 0.00 O ATOM 1021 CB SER A 65 -8.002 3.981 -2.599 1.00 0.00 C ATOM 1022 OG SER A 65 -8.674 5.219 -2.448 1.00 0.00 O ATOM 0 H SER A 65 -8.107 4.787 -0.031 1.00 0.00 H new ATOM 0 HA SER A 65 -6.576 2.759 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.496 3.953 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.727 3.167 -2.596 1.00 0.00 H new ATOM 0 HG SER A 65 -9.318 5.333 -3.178 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.754 4.324 -2.252 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.589 5.177 -2.456 1.00 0.00 C ATOM 1030 C ILE A 66 -2.995 4.973 -3.845 1.00 0.00 C ATOM 1031 O ILE A 66 -2.612 3.867 -4.227 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.502 4.907 -1.399 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.063 5.118 0.008 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.298 5.807 -1.636 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.305 4.367 1.080 1.00 0.00 C ATOM 0 H ILE A 66 -4.659 3.382 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.931 6.207 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.179 3.870 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.046 6.183 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.107 4.804 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.538 5.605 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.887 5.611 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.605 6.851 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.758 4.563 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.343 3.298 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.266 4.698 1.091 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.913 6.065 -4.620 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.363 6.033 -5.978 1.00 0.00 C ATOM 1049 C PRO A 67 -0.858 5.792 -5.989 1.00 0.00 C ATOM 1050 O PRO A 67 -0.097 6.527 -5.358 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.687 7.425 -6.525 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.793 8.291 -5.317 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.350 7.416 -4.228 1.00 0.00 C ATOM 0 HA PRO A 67 -2.784 5.220 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.905 7.778 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.618 7.421 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.818 8.691 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.445 9.144 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.961 7.696 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.436 7.487 -4.172 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.433 4.760 -6.709 1.00 0.00 N ATOM 1062 CA LEU A 68 0.983 4.423 -6.803 1.00 0.00 C ATOM 1063 C LEU A 68 1.611 5.049 -8.044 1.00 0.00 C ATOM 1064 O LEU A 68 2.817 5.298 -8.085 1.00 0.00 O ATOM 1065 CB LEU A 68 1.165 2.905 -6.836 1.00 0.00 C ATOM 1066 CG LEU A 68 1.093 2.190 -5.486 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.933 0.691 -5.683 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.333 2.492 -4.656 1.00 0.00 C ATOM 0 H LEU A 68 -1.049 4.142 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 68 1.486 4.824 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.402 2.482 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.131 2.685 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 68 0.220 2.559 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.884 0.200 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.015 0.493 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.785 0.305 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.265 1.975 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.220 2.151 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.403 3.566 -4.484 1.00 0.00 H new ATOM 1080 N LEU A 69 0.786 5.304 -9.053 1.00 0.00 N ATOM 1081 CA LEU A 69 1.260 5.904 -10.296 1.00 0.00 C ATOM 1082 C LEU A 69 1.907 7.260 -10.034 1.00 0.00 C ATOM 1083 O LEU A 69 2.530 7.843 -10.921 1.00 0.00 O ATOM 1084 CB LEU A 69 0.102 6.060 -11.284 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.659 7.385 -11.220 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -1.882 7.341 -12.124 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.064 7.699 -9.788 1.00 0.00 C ATOM 0 H LEU A 69 -0.214 5.105 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 69 2.011 5.242 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.493 5.937 -12.294 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.606 5.249 -11.115 1.00 0.00 H new ATOM 0 HG LEU A 69 0.000 8.178 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.412 8.292 -12.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.568 7.163 -13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.544 6.537 -11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.604 8.645 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.706 6.904 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.172 7.773 -9.166 1.00 0.00 H new ATOM 1099 N SER A 70 1.756 7.755 -8.810 1.00 0.00 N ATOM 1100 CA SER A 70 2.323 9.044 -8.431 1.00 0.00 C ATOM 1101 C SER A 70 3.349 8.878 -7.314 1.00 0.00 C ATOM 1102 O SER A 70 3.594 9.802 -6.538 1.00 0.00 O ATOM 1103 CB SER A 70 1.217 10.002 -7.985 1.00 0.00 C ATOM 1104 OG SER A 70 1.598 11.351 -8.188 1.00 0.00 O ATOM 0 H SER A 70 1.246 7.283 -8.064 1.00 0.00 H new ATOM 0 HA SER A 70 2.825 9.463 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.303 9.791 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.994 9.839 -6.931 1.00 0.00 H new ATOM 0 HG SER A 70 0.874 11.943 -7.896 1.00 0.00 H new ATOM 1110 N PHE A 71 3.946 7.693 -7.238 1.00 0.00 N ATOM 1111 CA PHE A 71 4.945 7.404 -6.215 1.00 0.00 C ATOM 1112 C PHE A 71 6.121 6.633 -6.807 1.00 0.00 C ATOM 1113 O PHE A 71 6.000 6.006 -7.860 1.00 0.00 O ATOM 1114 CB PHE A 71 4.318 6.603 -5.072 1.00 0.00 C ATOM 1115 CG PHE A 71 3.521 7.445 -4.117 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.290 7.962 -4.490 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.001 7.719 -2.847 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.555 8.737 -3.613 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.271 8.493 -1.966 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.045 9.002 -2.349 1.00 0.00 C ATOM 0 H PHE A 71 3.756 6.917 -7.872 1.00 0.00 H new ATOM 0 HA PHE A 71 5.315 8.352 -5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.671 5.832 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.108 6.092 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.901 7.757 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.958 7.323 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.598 9.135 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.658 8.700 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.471 9.606 -1.662 1.00 0.00 H new ATOM 1130 N ARG A 72 7.258 6.684 -6.122 1.00 0.00 N ATOM 1131 CA ARG A 72 8.457 5.992 -6.579 1.00 0.00 C ATOM 1132 C ARG A 72 8.867 4.902 -5.592 1.00 0.00 C ATOM 1133 O ARG A 72 9.816 5.068 -4.827 1.00 0.00 O ATOM 1134 CB ARG A 72 9.606 6.985 -6.764 1.00 0.00 C ATOM 1135 CG ARG A 72 9.816 7.902 -5.570 1.00 0.00 C ATOM 1136 CD ARG A 72 11.050 8.773 -5.747 1.00 0.00 C ATOM 1137 NE ARG A 72 11.627 9.172 -4.466 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.893 9.545 -4.314 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.710 9.571 -5.358 1.00 0.00 N ATOM 1140 NH2 ARG A 72 13.344 9.894 -3.116 1.00 0.00 N ATOM 0 H ARG A 72 7.374 7.197 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 72 8.232 5.524 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.526 6.432 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.412 7.592 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.939 8.535 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.918 7.304 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.796 8.231 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.787 9.663 -6.319 1.00 0.00 H new ATOM 0 HE ARG A 72 11.025 9.164 -3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.367 9.304 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.681 9.858 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.719 9.876 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.316 10.180 -3.001 1.00 0.00 H new ATOM 1154 N VAL A 73 8.143 3.788 -5.615 1.00 0.00 N ATOM 1155 CA VAL A 73 8.430 2.671 -4.723 1.00 0.00 C ATOM 1156 C VAL A 73 9.911 2.311 -4.753 1.00 0.00 C ATOM 1157 O VAL A 73 10.568 2.427 -5.787 1.00 0.00 O ATOM 1158 CB VAL A 73 7.603 1.427 -5.097 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.960 0.256 -4.193 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.115 1.734 -5.023 1.00 0.00 C ATOM 0 H VAL A 73 7.353 3.635 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 73 8.157 2.991 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 73 7.842 1.149 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.365 -0.614 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.019 0.022 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.752 0.520 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.546 0.844 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.856 2.039 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.875 2.540 -5.717 1.00 0.00 H new ATOM 1170 N ALA A 74 10.431 1.874 -3.610 1.00 0.00 N ATOM 1171 CA ALA A 74 11.835 1.495 -3.506 1.00 0.00 C ATOM 1172 C ALA A 74 12.142 0.899 -2.136 1.00 0.00 C ATOM 1173 O ALA A 74 11.436 1.161 -1.163 1.00 0.00 O ATOM 1174 CB ALA A 74 12.728 2.697 -3.773 1.00 0.00 C ATOM 0 H ALA A 74 9.901 1.774 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 74 12.037 0.733 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.773 2.399 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.536 3.077 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.516 3.478 -3.042 1.00 0.00 H new ATOM 1180 N ALA A 75 13.200 0.097 -2.068 1.00 0.00 N ATOM 1181 CA ALA A 75 13.601 -0.534 -0.817 1.00 0.00 C ATOM 1182 C ALA A 75 14.095 0.502 0.187 1.00 0.00 C ATOM 1183 O ALA A 75 14.404 1.637 -0.178 1.00 0.00 O ATOM 1184 CB ALA A 75 14.677 -1.578 -1.074 1.00 0.00 C ATOM 0 H ALA A 75 13.795 -0.131 -2.865 1.00 0.00 H new ATOM 0 HA ALA A 75 12.727 -1.026 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.967 -2.041 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.290 -2.341 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.546 -1.101 -1.526 1.00 0.00 H new ATOM 1190 N VAL A 76 14.166 0.105 1.454 1.00 0.00 N ATOM 1191 CA VAL A 76 14.623 1.000 2.510 1.00 0.00 C ATOM 1192 C VAL A 76 16.142 1.126 2.505 1.00 0.00 C ATOM 1193 O VAL A 76 16.836 0.358 1.839 1.00 0.00 O ATOM 1194 CB VAL A 76 14.165 0.510 3.897 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.726 0.929 4.163 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.318 -0.999 4.007 1.00 0.00 C ATOM 0 H VAL A 76 13.913 -0.830 1.773 1.00 0.00 H new ATOM 0 HA VAL A 76 14.180 1.976 2.312 1.00 0.00 H new ATOM 0 HB VAL A 76 14.799 0.972 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.420 0.574 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.651 2.016 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.075 0.497 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.990 -1.327 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.710 -1.483 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.364 -1.270 3.864 1.00 0.00 H new ATOM 1206 N GLN A 77 16.653 2.100 3.252 1.00 0.00 N ATOM 1207 CA GLN A 77 18.091 2.326 3.332 1.00 0.00 C ATOM 1208 C GLN A 77 18.610 2.036 4.737 1.00 0.00 C ATOM 1209 O GLN A 77 17.859 2.030 5.713 1.00 0.00 O ATOM 1210 CB GLN A 77 18.424 3.767 2.940 1.00 0.00 C ATOM 1211 CG GLN A 77 18.573 3.970 1.441 1.00 0.00 C ATOM 1212 CD GLN A 77 19.055 5.362 1.085 1.00 0.00 C ATOM 1213 OE1 GLN A 77 18.257 6.254 0.798 1.00 0.00 O ATOM 1214 NE2 GLN A 77 20.369 5.556 1.103 1.00 0.00 N ATOM 0 H GLN A 77 16.093 2.744 3.810 1.00 0.00 H new ATOM 0 HA GLN A 77 18.580 1.645 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.640 4.426 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.350 4.064 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.275 3.235 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.614 3.787 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 77 20.995 4.788 1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 77 20.752 6.473 0.873 1.00 0.00 H new ATOM 1223 N PRO A 78 19.924 1.791 4.844 1.00 0.00 N ATOM 1224 CA PRO A 78 20.572 1.496 6.125 1.00 0.00 C ATOM 1225 C PRO A 78 20.626 2.713 7.041 1.00 0.00 C ATOM 1226 O PRO A 78 21.067 2.620 8.187 1.00 0.00 O ATOM 1227 CB PRO A 78 21.985 1.070 5.717 1.00 0.00 C ATOM 1228 CG PRO A 78 22.217 1.735 4.404 1.00 0.00 C ATOM 1229 CD PRO A 78 20.878 1.782 3.722 1.00 0.00 C ATOM 0 HA PRO A 78 20.030 0.739 6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.722 1.385 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.062 -0.014 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.621 2.738 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.940 1.179 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.775 2.671 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.727 0.919 3.073 1.00 0.00 H new ATOM 1237 N SER A 79 20.174 3.854 6.530 1.00 0.00 N ATOM 1238 CA SER A 79 20.174 5.091 7.302 1.00 0.00 C ATOM 1239 C SER A 79 18.765 5.438 7.771 1.00 0.00 C ATOM 1240 O SER A 79 18.582 6.261 8.669 1.00 0.00 O ATOM 1241 CB SER A 79 20.743 6.239 6.465 1.00 0.00 C ATOM 1242 OG SER A 79 19.943 6.481 5.321 1.00 0.00 O ATOM 0 H SER A 79 19.803 3.947 5.584 1.00 0.00 H new ATOM 0 HA SER A 79 20.804 4.943 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.798 7.143 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.761 5.999 6.157 1.00 0.00 H new ATOM 0 HG SER A 79 20.327 7.220 4.804 1.00 0.00 H new ATOM 1248 N ASP A 80 17.771 4.805 7.157 1.00 0.00 N ATOM 1249 CA ASP A 80 16.377 5.045 7.512 1.00 0.00 C ATOM 1250 C ASP A 80 16.055 4.454 8.881 1.00 0.00 C ATOM 1251 O ASP A 80 16.810 3.639 9.410 1.00 0.00 O ATOM 1252 CB ASP A 80 15.449 4.446 6.454 1.00 0.00 C ATOM 1253 CG ASP A 80 15.152 5.418 5.328 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.113 5.950 4.736 1.00 0.00 O ATOM 1255 OD2 ASP A 80 13.958 5.646 5.041 1.00 0.00 O ATOM 0 H ASP A 80 17.905 4.122 6.411 1.00 0.00 H new ATOM 0 HA ASP A 80 16.219 6.123 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.905 3.546 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.514 4.143 6.925 1.00 0.00 H new ATOM 1260 N ASN A 81 14.929 4.872 9.451 1.00 0.00 N ATOM 1261 CA ASN A 81 14.508 4.386 10.759 1.00 0.00 C ATOM 1262 C ASN A 81 13.767 3.058 10.634 1.00 0.00 C ATOM 1263 O ASN A 81 12.698 2.875 11.218 1.00 0.00 O ATOM 1264 CB ASN A 81 13.614 5.419 11.447 1.00 0.00 C ATOM 1265 CG ASN A 81 13.712 5.354 12.959 1.00 0.00 C ATOM 1266 OD1 ASN A 81 12.747 5.010 13.641 1.00 0.00 O ATOM 1267 ND2 ASN A 81 14.884 5.685 13.490 1.00 0.00 N ATOM 0 H ASN A 81 14.292 5.546 9.027 1.00 0.00 H new ATOM 0 HA ASN A 81 15.401 4.228 11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.892 6.418 11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.579 5.258 11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 81 15.011 5.660 14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.657 5.964 12.886 1.00 0.00 H new ATOM 1274 N ILE A 82 14.341 2.136 9.869 1.00 0.00 N ATOM 1275 CA ILE A 82 13.736 0.825 9.668 1.00 0.00 C ATOM 1276 C ILE A 82 14.677 -0.289 10.113 1.00 0.00 C ATOM 1277 O ILE A 82 15.712 -0.527 9.490 1.00 0.00 O ATOM 1278 CB ILE A 82 13.354 0.602 8.193 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.421 1.714 7.710 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.699 -0.760 8.016 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.123 1.792 8.484 1.00 0.00 C ATOM 0 H ILE A 82 15.225 2.272 9.378 1.00 0.00 H new ATOM 0 HA ILE A 82 12.832 0.798 10.277 1.00 0.00 H new ATOM 0 HB ILE A 82 14.262 0.629 7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.938 2.670 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.197 1.557 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.435 -0.903 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.394 -1.541 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.799 -0.813 8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.511 2.602 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.584 0.849 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.337 1.981 9.536 1.00 0.00 H new ATOM 1293 N SER A 83 14.309 -0.971 11.193 1.00 0.00 N ATOM 1294 CA SER A 83 15.122 -2.059 11.723 1.00 0.00 C ATOM 1295 C SER A 83 15.077 -3.271 10.797 1.00 0.00 C ATOM 1296 O SER A 83 16.092 -3.928 10.567 1.00 0.00 O ATOM 1297 CB SER A 83 14.637 -2.453 13.120 1.00 0.00 C ATOM 1298 OG SER A 83 14.609 -1.330 13.984 1.00 0.00 O ATOM 0 H SER A 83 13.453 -0.789 11.718 1.00 0.00 H new ATOM 0 HA SER A 83 16.153 -1.711 11.789 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.640 -2.890 13.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.293 -3.219 13.534 1.00 0.00 H new ATOM 0 HG SER A 83 14.294 -1.607 14.870 1.00 0.00 H new ATOM 1304 N ARG A 84 13.892 -3.560 10.269 1.00 0.00 N ATOM 1305 CA ARG A 84 13.713 -4.693 9.369 1.00 0.00 C ATOM 1306 C ARG A 84 14.759 -4.676 8.258 1.00 0.00 C ATOM 1307 O ARG A 84 15.594 -3.774 8.190 1.00 0.00 O ATOM 1308 CB ARG A 84 12.309 -4.673 8.762 1.00 0.00 C ATOM 1309 CG ARG A 84 11.208 -4.974 9.766 1.00 0.00 C ATOM 1310 CD ARG A 84 9.901 -4.300 9.378 1.00 0.00 C ATOM 1311 NE ARG A 84 8.738 -5.051 9.844 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.309 -5.036 11.101 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.943 -4.312 12.013 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.243 -5.746 11.447 1.00 0.00 N ATOM 0 H ARG A 84 13.042 -3.025 10.449 1.00 0.00 H new ATOM 0 HA ARG A 84 13.838 -5.608 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.128 -3.694 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.261 -5.402 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.058 -6.052 9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.514 -4.635 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.874 -3.294 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.855 -4.196 8.294 1.00 0.00 H new ATOM 0 HE ARG A 84 8.227 -5.618 9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.763 -3.765 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.611 -4.302 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.753 -6.304 10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.914 -5.734 12.412 1.00 0.00 H new ATOM 1328 N LYS A 85 14.707 -5.679 7.388 1.00 0.00 N ATOM 1329 CA LYS A 85 15.649 -5.779 6.279 1.00 0.00 C ATOM 1330 C LYS A 85 14.925 -5.675 4.940 1.00 0.00 C ATOM 1331 O LYS A 85 15.076 -4.690 4.216 1.00 0.00 O ATOM 1332 CB LYS A 85 16.417 -7.101 6.354 1.00 0.00 C ATOM 1333 CG LYS A 85 17.563 -7.082 7.351 1.00 0.00 C ATOM 1334 CD LYS A 85 18.462 -8.296 7.190 1.00 0.00 C ATOM 1335 CE LYS A 85 19.683 -8.208 8.092 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.351 -8.532 9.508 1.00 0.00 N ATOM 0 H LYS A 85 14.023 -6.434 7.429 1.00 0.00 H new ATOM 0 HA LYS A 85 16.354 -4.951 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.725 -7.899 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.810 -7.340 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.149 -6.173 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.164 -7.055 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.900 -9.200 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.781 -8.379 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.450 -8.894 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.103 -7.204 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.209 -8.461 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.637 -7.862 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.974 -9.500 9.564 1.00 0.00 H new ATOM 1350 N HIS A 86 14.138 -6.697 4.617 1.00 0.00 N ATOM 1351 CA HIS A 86 13.389 -6.719 3.365 1.00 0.00 C ATOM 1352 C HIS A 86 12.179 -5.792 3.440 1.00 0.00 C ATOM 1353 O HIS A 86 11.038 -6.249 3.519 1.00 0.00 O ATOM 1354 CB HIS A 86 12.937 -8.143 3.042 1.00 0.00 C ATOM 1355 CG HIS A 86 13.864 -9.198 3.561 1.00 0.00 C ATOM 1356 ND1 HIS A 86 15.121 -9.419 3.040 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.711 -10.095 4.563 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.701 -10.407 3.697 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.867 -10.835 4.627 1.00 0.00 N ATOM 0 H HIS A 86 14.003 -7.520 5.204 1.00 0.00 H new ATOM 0 HA HIS A 86 14.046 -6.366 2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.944 -8.304 3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.847 -8.250 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.842 -10.208 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.689 -10.798 3.506 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.051 -11.592 5.286 1.00 0.00 H new ATOM 1368 N THR A 87 12.435 -4.488 3.415 1.00 0.00 N ATOM 1369 CA THR A 87 11.368 -3.498 3.482 1.00 0.00 C ATOM 1370 C THR A 87 11.459 -2.512 2.323 1.00 0.00 C ATOM 1371 O THR A 87 12.522 -2.336 1.726 1.00 0.00 O ATOM 1372 CB THR A 87 11.408 -2.717 4.809 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.084 -3.587 5.899 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.435 -1.548 4.779 1.00 0.00 C ATOM 0 H THR A 87 13.373 -4.093 3.349 1.00 0.00 H new ATOM 0 HA THR A 87 10.427 -4.044 3.418 1.00 0.00 H new ATOM 0 HB THR A 87 12.416 -2.326 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.801 -3.053 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.481 -1.012 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.703 -0.873 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.423 -1.921 4.622 1.00 0.00 H new ATOM 1382 N PHE A 88 10.339 -1.871 2.008 1.00 0.00 N ATOM 1383 CA PHE A 88 10.292 -0.902 0.919 1.00 0.00 C ATOM 1384 C PHE A 88 9.230 0.162 1.182 1.00 0.00 C ATOM 1385 O PHE A 88 8.093 -0.154 1.532 1.00 0.00 O ATOM 1386 CB PHE A 88 10.006 -1.608 -0.408 1.00 0.00 C ATOM 1387 CG PHE A 88 8.715 -2.376 -0.412 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.538 -3.463 0.428 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.679 -2.009 -1.256 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.352 -4.172 0.425 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.490 -2.714 -1.263 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.326 -3.796 -0.420 1.00 0.00 C ATOM 0 H PHE A 88 9.451 -2.005 2.492 1.00 0.00 H new ATOM 0 HA PHE A 88 11.264 -0.412 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.981 -0.867 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.826 -2.290 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.336 -3.760 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.802 -1.163 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.227 -5.019 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.690 -2.419 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.397 -4.347 -0.422 1.00 0.00 H new ATOM 1402 N LYS A 89 9.610 1.423 1.011 1.00 0.00 N ATOM 1403 CA LYS A 89 8.692 2.535 1.228 1.00 0.00 C ATOM 1404 C LYS A 89 8.474 3.321 -0.061 1.00 0.00 C ATOM 1405 O LYS A 89 9.380 3.444 -0.884 1.00 0.00 O ATOM 1406 CB LYS A 89 9.231 3.463 2.319 1.00 0.00 C ATOM 1407 CG LYS A 89 10.382 4.341 1.856 1.00 0.00 C ATOM 1408 CD LYS A 89 11.725 3.672 2.097 1.00 0.00 C ATOM 1409 CE LYS A 89 12.770 4.145 1.098 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.477 3.665 -0.281 1.00 0.00 N ATOM 0 H LYS A 89 10.548 1.701 0.723 1.00 0.00 H new ATOM 0 HA LYS A 89 7.734 2.125 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.421 4.099 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.562 2.861 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.269 4.561 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.349 5.294 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.064 3.889 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.612 2.590 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.810 5.234 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.753 3.789 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.169 2.937 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.519 3.260 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.537 4.462 -0.946 1.00 0.00 H new ATOM 1424 N ALA A 90 7.267 3.851 -0.228 1.00 0.00 N ATOM 1425 CA ALA A 90 6.932 4.628 -1.416 1.00 0.00 C ATOM 1426 C ALA A 90 6.830 6.114 -1.089 1.00 0.00 C ATOM 1427 O ALA A 90 6.449 6.490 0.019 1.00 0.00 O ATOM 1428 CB ALA A 90 5.628 4.129 -2.022 1.00 0.00 C ATOM 0 H ALA A 90 6.505 3.757 0.444 1.00 0.00 H new ATOM 0 HA ALA A 90 7.733 4.497 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.390 4.718 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.734 3.081 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.825 4.231 -1.292 1.00 0.00 H new ATOM 1434 N GLU A 91 7.175 6.953 -2.060 1.00 0.00 N ATOM 1435 CA GLU A 91 7.124 8.399 -1.874 1.00 0.00 C ATOM 1436 C GLU A 91 6.657 9.096 -3.148 1.00 0.00 C ATOM 1437 O GLU A 91 6.884 8.607 -4.255 1.00 0.00 O ATOM 1438 CB GLU A 91 8.498 8.931 -1.463 1.00 0.00 C ATOM 1439 CG GLU A 91 8.824 10.294 -2.050 1.00 0.00 C ATOM 1440 CD GLU A 91 9.976 10.976 -1.338 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.012 10.316 -1.117 1.00 0.00 O ATOM 1442 OE2 GLU A 91 9.840 12.171 -1.002 1.00 0.00 O ATOM 0 H GLU A 91 7.493 6.657 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 91 6.407 8.612 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.544 8.993 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.262 8.219 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.070 10.181 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.940 10.930 -1.995 1.00 0.00 H new ATOM 1449 N HIS A 92 6.002 10.241 -2.984 1.00 0.00 N ATOM 1450 CA HIS A 92 5.503 11.006 -4.120 1.00 0.00 C ATOM 1451 C HIS A 92 6.192 12.364 -4.206 1.00 0.00 C ATOM 1452 O HIS A 92 6.236 12.983 -5.269 1.00 0.00 O ATOM 1453 CB HIS A 92 3.990 11.195 -4.010 1.00 0.00 C ATOM 1454 CG HIS A 92 3.478 12.387 -4.759 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.843 13.446 -4.145 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.512 12.684 -6.079 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.508 14.343 -5.055 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.903 13.905 -6.237 1.00 0.00 N ATOM 0 H HIS A 92 5.805 10.659 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 92 5.727 10.447 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.492 10.300 -4.384 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.720 11.294 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.938 12.075 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.998 15.276 -4.865 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.776 14.394 -7.123 1.00 0.00 H new ATOM 1467 N ALA A 93 6.727 12.823 -3.079 1.00 0.00 N ATOM 1468 CA ALA A 93 7.415 14.107 -3.028 1.00 0.00 C ATOM 1469 C ALA A 93 6.422 15.264 -3.064 1.00 0.00 C ATOM 1470 O ALA A 93 6.568 16.196 -3.854 1.00 0.00 O ATOM 1471 CB ALA A 93 8.405 14.222 -4.177 1.00 0.00 C ATOM 0 H ALA A 93 6.697 12.325 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 93 7.961 14.161 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.911 15.186 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.141 13.421 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.873 14.141 -5.125 1.00 0.00 H new ATOM 1477 N GLY A 94 5.410 15.196 -2.205 1.00 0.00 N ATOM 1478 CA GLY A 94 4.407 16.244 -2.156 1.00 0.00 C ATOM 1479 C GLY A 94 3.287 15.930 -1.183 1.00 0.00 C ATOM 1480 O GLY A 94 2.647 16.836 -0.650 1.00 0.00 O ATOM 0 H GLY A 94 5.267 14.434 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.881 17.183 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.989 16.389 -3.152 1.00 0.00 H new ATOM 1484 N VAL A 95 3.050 14.643 -0.952 1.00 0.00 N ATOM 1485 CA VAL A 95 2.000 14.212 -0.037 1.00 0.00 C ATOM 1486 C VAL A 95 2.589 13.536 1.196 1.00 0.00 C ATOM 1487 O VAL A 95 2.487 14.054 2.309 1.00 0.00 O ATOM 1488 CB VAL A 95 1.021 13.241 -0.723 1.00 0.00 C ATOM 1489 CG1 VAL A 95 -0.097 12.846 0.230 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.457 13.861 -1.992 1.00 0.00 C ATOM 0 H VAL A 95 3.571 13.881 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 95 1.458 15.108 0.267 1.00 0.00 H new ATOM 0 HB VAL A 95 1.566 12.338 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.778 12.160 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.328 12.358 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.643 13.737 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.233 13.161 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.073 14.781 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.272 14.087 -2.680 1.00 0.00 H new ATOM 1500 N ARG A 96 3.205 12.377 0.991 1.00 0.00 N ATOM 1501 CA ARG A 96 3.810 11.629 2.087 1.00 0.00 C ATOM 1502 C ARG A 96 4.568 10.413 1.562 1.00 0.00 C ATOM 1503 O ARG A 96 4.607 10.165 0.356 1.00 0.00 O ATOM 1504 CB ARG A 96 2.737 11.184 3.083 1.00 0.00 C ATOM 1505 CG ARG A 96 1.933 9.982 2.615 1.00 0.00 C ATOM 1506 CD ARG A 96 0.638 9.838 3.399 1.00 0.00 C ATOM 1507 NE ARG A 96 0.876 9.748 4.837 1.00 0.00 N ATOM 1508 CZ ARG A 96 1.193 8.618 5.460 1.00 0.00 C ATOM 1509 NH1 ARG A 96 1.309 7.489 4.774 1.00 0.00 N ATOM 1510 NH2 ARG A 96 1.394 8.616 6.771 1.00 0.00 N ATOM 0 H ARG A 96 3.299 11.935 0.076 1.00 0.00 H new ATOM 0 HA ARG A 96 4.517 12.285 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.213 10.944 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.057 12.016 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.707 10.085 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.530 9.077 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.008 10.691 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.108 8.947 3.063 1.00 0.00 H new ATOM 0 HE ARG A 96 0.794 10.599 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.155 7.487 3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.552 6.623 5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.305 9.482 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.637 7.748 7.248 1.00 0.00 H new ATOM 1524 N THR A 97 5.169 9.657 2.475 1.00 0.00 N ATOM 1525 CA THR A 97 5.927 8.468 2.105 1.00 0.00 C ATOM 1526 C THR A 97 5.445 7.246 2.878 1.00 0.00 C ATOM 1527 O THR A 97 5.708 7.113 4.073 1.00 0.00 O ATOM 1528 CB THR A 97 7.434 8.661 2.359 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.910 9.803 1.638 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.216 7.426 1.938 1.00 0.00 C ATOM 0 H THR A 97 5.146 9.847 3.477 1.00 0.00 H new ATOM 0 HA THR A 97 5.763 8.308 1.039 1.00 0.00 H new ATOM 0 HB THR A 97 7.583 8.819 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.868 9.920 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.278 7.586 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.871 6.565 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.060 7.242 0.875 1.00 0.00 H new ATOM 1538 N TYR A 98 4.740 6.356 2.188 1.00 0.00 N ATOM 1539 CA TYR A 98 4.220 5.145 2.811 1.00 0.00 C ATOM 1540 C TYR A 98 5.315 4.091 2.951 1.00 0.00 C ATOM 1541 O TYR A 98 6.289 4.087 2.198 1.00 0.00 O ATOM 1542 CB TYR A 98 3.058 4.583 1.991 1.00 0.00 C ATOM 1543 CG TYR A 98 1.756 5.323 2.199 1.00 0.00 C ATOM 1544 CD1 TYR A 98 0.893 4.974 3.231 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.389 6.372 1.365 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.298 5.647 3.424 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.201 7.051 1.552 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.639 6.685 2.582 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.824 7.359 2.773 1.00 0.00 O ATOM 0 H TYR A 98 4.516 6.451 1.197 1.00 0.00 H new ATOM 0 HA TYR A 98 3.861 5.405 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.321 4.617 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.915 3.534 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.158 4.163 3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.044 6.661 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.958 5.362 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.069 7.864 0.895 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.913 8.062 2.096 1.00 0.00 H new ATOM 1559 N PHE A 99 5.146 3.198 3.921 1.00 0.00 N ATOM 1560 CA PHE A 99 6.119 2.139 4.162 1.00 0.00 C ATOM 1561 C PHE A 99 5.460 0.765 4.074 1.00 0.00 C ATOM 1562 O PHE A 99 4.268 0.618 4.342 1.00 0.00 O ATOM 1563 CB PHE A 99 6.770 2.318 5.535 1.00 0.00 C ATOM 1564 CG PHE A 99 7.882 3.328 5.544 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.605 4.682 5.628 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.205 2.922 5.467 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.625 5.614 5.637 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.230 3.849 5.476 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.940 5.197 5.560 1.00 0.00 C ATOM 0 H PHE A 99 4.345 3.187 4.552 1.00 0.00 H new ATOM 0 HA PHE A 99 6.888 2.204 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.008 2.622 6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.160 1.357 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.579 5.014 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.437 1.870 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.395 6.667 5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.257 3.520 5.417 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.739 5.923 5.565 1.00 0.00 H new ATOM 1579 N PHE A 100 6.245 -0.238 3.696 1.00 0.00 N ATOM 1580 CA PHE A 100 5.739 -1.600 3.571 1.00 0.00 C ATOM 1581 C PHE A 100 6.854 -2.617 3.794 1.00 0.00 C ATOM 1582 O PHE A 100 7.843 -2.641 3.060 1.00 0.00 O ATOM 1583 CB PHE A 100 5.111 -1.808 2.192 1.00 0.00 C ATOM 1584 CG PHE A 100 4.134 -0.733 1.809 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.949 -0.574 2.509 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.402 0.119 0.749 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.048 0.414 2.159 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.505 1.109 0.396 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.327 1.257 1.101 1.00 0.00 C ATOM 0 H PHE A 100 7.234 -0.133 3.471 1.00 0.00 H new ATOM 0 HA PHE A 100 4.977 -1.750 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.903 -1.851 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.603 -2.772 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.727 -1.230 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.321 0.008 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.127 0.527 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.725 1.767 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.625 2.030 0.826 1.00 0.00 H new ATOM 1599 N SER A 101 6.688 -3.456 4.811 1.00 0.00 N ATOM 1600 CA SER A 101 7.681 -4.473 5.134 1.00 0.00 C ATOM 1601 C SER A 101 7.207 -5.855 4.696 1.00 0.00 C ATOM 1602 O SER A 101 6.025 -6.181 4.805 1.00 0.00 O ATOM 1603 CB SER A 101 7.972 -4.474 6.636 1.00 0.00 C ATOM 1604 OG SER A 101 8.652 -5.655 7.023 1.00 0.00 O ATOM 0 H SER A 101 5.874 -3.451 5.426 1.00 0.00 H new ATOM 0 HA SER A 101 8.597 -4.234 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.574 -3.603 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.037 -4.390 7.191 1.00 0.00 H new ATOM 0 HG SER A 101 7.999 -6.342 7.271 1.00 0.00 H new ATOM 1610 N ALA A 102 8.137 -6.663 4.198 1.00 0.00 N ATOM 1611 CA ALA A 102 7.816 -8.010 3.744 1.00 0.00 C ATOM 1612 C ALA A 102 8.543 -9.059 4.579 1.00 0.00 C ATOM 1613 O ALA A 102 9.738 -8.936 4.842 1.00 0.00 O ATOM 1614 CB ALA A 102 8.166 -8.169 2.272 1.00 0.00 C ATOM 0 H ALA A 102 9.120 -6.408 4.099 1.00 0.00 H new ATOM 0 HA ALA A 102 6.744 -8.163 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.921 -9.180 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.596 -7.450 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.232 -7.991 2.130 1.00 0.00 H new ATOM 1620 N GLU A 103 7.812 -10.089 4.994 1.00 0.00 N ATOM 1621 CA GLU A 103 8.388 -11.158 5.801 1.00 0.00 C ATOM 1622 C GLU A 103 9.646 -11.719 5.142 1.00 0.00 C ATOM 1623 O GLU A 103 10.709 -11.776 5.759 1.00 0.00 O ATOM 1624 CB GLU A 103 7.366 -12.277 6.010 1.00 0.00 C ATOM 1625 CG GLU A 103 6.282 -11.931 7.016 1.00 0.00 C ATOM 1626 CD GLU A 103 5.091 -12.866 6.937 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.294 -14.061 6.635 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.956 -12.403 7.176 1.00 0.00 O ATOM 0 H GLU A 103 6.821 -10.206 4.785 1.00 0.00 H new ATOM 0 HA GLU A 103 8.661 -10.740 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.900 -12.515 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.886 -13.175 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.701 -11.967 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.947 -10.908 6.846 1.00 0.00 H new ATOM 1635 N SER A 104 9.514 -12.133 3.886 1.00 0.00 N ATOM 1636 CA SER A 104 10.637 -12.694 3.145 1.00 0.00 C ATOM 1637 C SER A 104 11.083 -11.747 2.034 1.00 0.00 C ATOM 1638 O SER A 104 10.325 -10.896 1.569 1.00 0.00 O ATOM 1639 CB SER A 104 10.257 -14.052 2.551 1.00 0.00 C ATOM 1640 OG SER A 104 10.324 -15.074 3.530 1.00 0.00 O ATOM 0 H SER A 104 8.641 -12.090 3.361 1.00 0.00 H new ATOM 0 HA SER A 104 11.467 -12.828 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.249 -14.003 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.927 -14.291 1.725 1.00 0.00 H new ATOM 0 HG SER A 104 10.075 -15.931 3.126 1.00 0.00 H new ATOM 1646 N PRO A 105 12.342 -11.898 1.599 1.00 0.00 N ATOM 1647 CA PRO A 105 12.918 -11.066 0.538 1.00 0.00 C ATOM 1648 C PRO A 105 12.307 -11.363 -0.827 1.00 0.00 C ATOM 1649 O PRO A 105 12.412 -10.558 -1.752 1.00 0.00 O ATOM 1650 CB PRO A 105 14.401 -11.447 0.555 1.00 0.00 C ATOM 1651 CG PRO A 105 14.432 -12.825 1.120 1.00 0.00 C ATOM 1652 CD PRO A 105 13.301 -12.892 2.109 1.00 0.00 C ATOM 0 HA PRO A 105 12.734 -10.005 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.828 -11.421 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.980 -10.755 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.309 -13.571 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.387 -13.027 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.862 -13.889 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.634 -12.648 3.118 1.00 0.00 H new ATOM 1660 N GLU A 106 11.669 -12.523 -0.945 1.00 0.00 N ATOM 1661 CA GLU A 106 11.042 -12.925 -2.199 1.00 0.00 C ATOM 1662 C GLU A 106 9.781 -12.106 -2.463 1.00 0.00 C ATOM 1663 O GLU A 106 9.491 -11.746 -3.603 1.00 0.00 O ATOM 1664 CB GLU A 106 10.698 -14.416 -2.168 1.00 0.00 C ATOM 1665 CG GLU A 106 11.897 -15.312 -1.907 1.00 0.00 C ATOM 1666 CD GLU A 106 11.560 -16.785 -2.022 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.168 -17.221 -3.124 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.688 -17.503 -1.008 1.00 0.00 O ATOM 0 H GLU A 106 11.573 -13.200 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 106 11.751 -12.740 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.949 -14.591 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.246 -14.696 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.689 -15.068 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.287 -15.109 -0.910 1.00 0.00 H new ATOM 1675 N GLU A 107 9.036 -11.817 -1.401 1.00 0.00 N ATOM 1676 CA GLU A 107 7.807 -11.043 -1.518 1.00 0.00 C ATOM 1677 C GLU A 107 8.113 -9.560 -1.708 1.00 0.00 C ATOM 1678 O GLU A 107 7.436 -8.868 -2.467 1.00 0.00 O ATOM 1679 CB GLU A 107 6.933 -11.240 -0.278 1.00 0.00 C ATOM 1680 CG GLU A 107 6.122 -12.524 -0.301 1.00 0.00 C ATOM 1681 CD GLU A 107 4.827 -12.382 -1.076 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.863 -11.838 -2.199 1.00 0.00 O ATOM 1683 OE2 GLU A 107 3.776 -12.816 -0.559 1.00 0.00 O ATOM 0 H GLU A 107 9.263 -12.108 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 107 7.266 -11.400 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.568 -11.238 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.253 -10.393 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.721 -13.320 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.898 -12.826 0.722 1.00 0.00 H new ATOM 1690 N GLN A 108 9.139 -9.081 -1.012 1.00 0.00 N ATOM 1691 CA GLN A 108 9.535 -7.680 -1.103 1.00 0.00 C ATOM 1692 C GLN A 108 9.916 -7.314 -2.533 1.00 0.00 C ATOM 1693 O GLN A 108 9.342 -6.399 -3.123 1.00 0.00 O ATOM 1694 CB GLN A 108 10.707 -7.397 -0.161 1.00 0.00 C ATOM 1695 CG GLN A 108 11.315 -6.016 -0.344 1.00 0.00 C ATOM 1696 CD GLN A 108 12.771 -5.959 0.075 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.446 -6.985 0.157 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.262 -4.755 0.344 1.00 0.00 N ATOM 0 H GLN A 108 9.711 -9.641 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 108 8.684 -7.068 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.367 -7.502 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.480 -8.149 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.230 -5.722 -1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.745 -5.292 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.666 -3.931 0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.235 -4.654 0.632 1.00 0.00 H new ATOM 1707 N GLU A 109 10.889 -8.034 -3.084 1.00 0.00 N ATOM 1708 CA GLU A 109 11.347 -7.783 -4.445 1.00 0.00 C ATOM 1709 C GLU A 109 10.193 -7.897 -5.438 1.00 0.00 C ATOM 1710 O GLU A 109 10.007 -7.032 -6.292 1.00 0.00 O ATOM 1711 CB GLU A 109 12.458 -8.765 -4.823 1.00 0.00 C ATOM 1712 CG GLU A 109 11.943 -10.105 -5.320 1.00 0.00 C ATOM 1713 CD GLU A 109 13.059 -11.036 -5.751 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.483 -10.950 -6.923 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.510 -11.849 -4.917 1.00 0.00 O ATOM 0 H GLU A 109 11.374 -8.795 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 109 11.740 -6.767 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.081 -8.315 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.096 -8.930 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.362 -10.582 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.267 -9.941 -6.159 1.00 0.00 H new ATOM 1722 N ALA A 110 9.421 -8.972 -5.317 1.00 0.00 N ATOM 1723 CA ALA A 110 8.285 -9.200 -6.201 1.00 0.00 C ATOM 1724 C ALA A 110 7.307 -8.032 -6.151 1.00 0.00 C ATOM 1725 O ALA A 110 6.931 -7.479 -7.185 1.00 0.00 O ATOM 1726 CB ALA A 110 7.581 -10.498 -5.832 1.00 0.00 C ATOM 0 H ALA A 110 9.562 -9.699 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 110 8.661 -9.281 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.735 -10.656 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.279 -11.330 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.225 -10.439 -4.803 1.00 0.00 H new ATOM 1732 N TRP A 111 6.897 -7.662 -4.943 1.00 0.00 N ATOM 1733 CA TRP A 111 5.961 -6.559 -4.758 1.00 0.00 C ATOM 1734 C TRP A 111 6.434 -5.314 -5.501 1.00 0.00 C ATOM 1735 O TRP A 111 5.644 -4.636 -6.159 1.00 0.00 O ATOM 1736 CB TRP A 111 5.795 -6.247 -3.270 1.00 0.00 C ATOM 1737 CG TRP A 111 4.680 -7.013 -2.624 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.794 -7.948 -1.635 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.284 -6.910 -2.923 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.552 -8.433 -1.301 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.609 -7.811 -2.076 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.538 -6.142 -3.821 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.226 -7.965 -2.105 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.165 -6.296 -3.848 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.520 -7.201 -2.994 1.00 0.00 C ATOM 0 H TRP A 111 7.198 -8.110 -4.077 1.00 0.00 H new ATOM 0 HA TRP A 111 4.997 -6.861 -5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.728 -6.471 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.611 -5.180 -3.148 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.723 -8.260 -1.182 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.363 -9.141 -0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.026 -5.441 -4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.728 -8.663 -1.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.579 -5.709 -4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.555 -7.297 -3.038 1.00 0.00 H new ATOM 1756 N ILE A 112 7.724 -5.018 -5.391 1.00 0.00 N ATOM 1757 CA ILE A 112 8.301 -3.855 -6.054 1.00 0.00 C ATOM 1758 C ILE A 112 8.173 -3.967 -7.569 1.00 0.00 C ATOM 1759 O ILE A 112 7.922 -2.976 -8.255 1.00 0.00 O ATOM 1760 CB ILE A 112 9.786 -3.677 -5.687 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.924 -3.234 -4.229 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.443 -2.668 -6.618 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.351 -3.241 -3.728 1.00 0.00 C ATOM 0 H ILE A 112 8.390 -5.568 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 112 7.743 -2.985 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 112 10.292 -4.635 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.515 -2.229 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.323 -3.891 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.492 -2.552 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.371 -3.021 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.937 -1.707 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.373 -2.916 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.758 -4.250 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.952 -2.562 -4.333 1.00 0.00 H new ATOM 1775 N GLN A 113 8.345 -5.180 -8.085 1.00 0.00 N ATOM 1776 CA GLN A 113 8.247 -5.420 -9.520 1.00 0.00 C ATOM 1777 C GLN A 113 6.896 -4.962 -10.058 1.00 0.00 C ATOM 1778 O GLN A 113 6.824 -4.266 -11.071 1.00 0.00 O ATOM 1779 CB GLN A 113 8.454 -6.905 -9.824 1.00 0.00 C ATOM 1780 CG GLN A 113 9.801 -7.439 -9.365 1.00 0.00 C ATOM 1781 CD GLN A 113 10.304 -8.577 -10.232 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.784 -8.819 -11.322 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.321 -9.282 -9.752 1.00 0.00 N ATOM 0 H GLN A 113 8.553 -6.011 -7.531 1.00 0.00 H new ATOM 0 HA GLN A 113 9.028 -4.842 -10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.662 -7.479 -9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.356 -7.064 -10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.531 -6.630 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.719 -7.782 -8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.721 -9.046 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.702 -10.059 -10.291 1.00 0.00 H new ATOM 1792 N ALA A 114 5.827 -5.356 -9.373 1.00 0.00 N ATOM 1793 CA ALA A 114 4.479 -4.984 -9.782 1.00 0.00 C ATOM 1794 C ALA A 114 4.170 -3.539 -9.405 1.00 0.00 C ATOM 1795 O ALA A 114 3.735 -2.749 -10.243 1.00 0.00 O ATOM 1796 CB ALA A 114 3.459 -5.924 -9.156 1.00 0.00 C ATOM 0 H ALA A 114 5.869 -5.933 -8.533 1.00 0.00 H new ATOM 0 HA ALA A 114 4.419 -5.070 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.456 -5.634 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.659 -6.946 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.530 -5.866 -8.070 1.00 0.00 H new ATOM 1802 N MET A 115 4.398 -3.200 -8.141 1.00 0.00 N ATOM 1803 CA MET A 115 4.144 -1.849 -7.654 1.00 0.00 C ATOM 1804 C MET A 115 5.055 -0.841 -8.348 1.00 0.00 C ATOM 1805 O MET A 115 4.586 0.064 -9.036 1.00 0.00 O ATOM 1806 CB MET A 115 4.350 -1.782 -6.140 1.00 0.00 C ATOM 1807 CG MET A 115 3.122 -2.188 -5.341 1.00 0.00 C ATOM 1808 SD MET A 115 3.144 -1.543 -3.657 1.00 0.00 S ATOM 1809 CE MET A 115 2.724 -3.014 -2.726 1.00 0.00 C ATOM 0 H MET A 115 4.758 -3.842 -7.435 1.00 0.00 H new ATOM 0 HA MET A 115 3.109 -1.596 -7.884 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.182 -2.430 -5.866 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.633 -0.766 -5.865 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.227 -1.831 -5.851 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.058 -3.276 -5.308 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.524 -2.744 -1.689 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.837 -3.477 -3.158 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.555 -3.718 -2.763 1.00 0.00 H new ATOM 1819 N GLY A 116 6.362 -1.005 -8.162 1.00 0.00 N ATOM 1820 CA GLY A 116 7.317 -0.102 -8.776 1.00 0.00 C ATOM 1821 C GLY A 116 6.924 0.286 -10.188 1.00 0.00 C ATOM 1822 O GLY A 116 6.889 1.469 -10.526 1.00 0.00 O ATOM 0 H GLY A 116 6.775 -1.747 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.405 0.797 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.300 -0.574 -8.792 1.00 0.00 H new ATOM 1826 N GLU A 117 6.629 -0.713 -11.014 1.00 0.00 N ATOM 1827 CA GLU A 117 6.238 -0.469 -12.397 1.00 0.00 C ATOM 1828 C GLU A 117 4.940 0.330 -12.464 1.00 0.00 C ATOM 1829 O GLU A 117 4.907 1.438 -12.999 1.00 0.00 O ATOM 1830 CB GLU A 117 6.074 -1.793 -13.146 1.00 0.00 C ATOM 1831 CG GLU A 117 7.393 -2.446 -13.524 1.00 0.00 C ATOM 1832 CD GLU A 117 7.213 -3.617 -14.470 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.160 -3.388 -15.697 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.127 -4.764 -13.984 1.00 0.00 O ATOM 0 H GLU A 117 6.653 -1.698 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 117 7.027 0.114 -12.872 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.501 -2.483 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.492 -1.619 -14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.042 -1.704 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.897 -2.788 -12.620 1.00 0.00 H new ATOM 1841 N ALA A 118 3.872 -0.241 -11.916 1.00 0.00 N ATOM 1842 CA ALA A 118 2.572 0.417 -11.911 1.00 0.00 C ATOM 1843 C ALA A 118 2.680 1.842 -11.378 1.00 0.00 C ATOM 1844 O ALA A 118 1.863 2.702 -11.709 1.00 0.00 O ATOM 1845 CB ALA A 118 1.578 -0.384 -11.084 1.00 0.00 C ATOM 0 H ALA A 118 3.882 -1.158 -11.470 1.00 0.00 H new ATOM 0 HA ALA A 118 2.214 0.468 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.611 0.119 -11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.470 -1.381 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.939 -0.465 -10.059 1.00 0.00 H new ATOM 1851 N ALA A 119 3.691 2.085 -10.552 1.00 0.00 N ATOM 1852 CA ALA A 119 3.906 3.406 -9.974 1.00 0.00 C ATOM 1853 C ALA A 119 4.567 4.343 -10.979 1.00 0.00 C ATOM 1854 O ALA A 119 4.144 5.487 -11.147 1.00 0.00 O ATOM 1855 CB ALA A 119 4.751 3.300 -8.714 1.00 0.00 C ATOM 0 H ALA A 119 4.375 1.384 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 119 2.934 3.823 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.903 4.294 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.240 2.672 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.717 2.858 -8.960 1.00 0.00 H new ATOM 1861 N ARG A 120 5.607 3.852 -11.645 1.00 0.00 N ATOM 1862 CA ARG A 120 6.328 4.647 -12.632 1.00 0.00 C ATOM 1863 C ARG A 120 5.360 5.459 -13.487 1.00 0.00 C ATOM 1864 O ARG A 120 4.176 5.137 -13.579 1.00 0.00 O ATOM 1865 CB ARG A 120 7.178 3.741 -13.525 1.00 0.00 C ATOM 1866 CG ARG A 120 8.587 3.518 -13.001 1.00 0.00 C ATOM 1867 CD ARG A 120 9.209 2.262 -13.592 1.00 0.00 C ATOM 1868 NE ARG A 120 10.668 2.324 -13.598 1.00 0.00 N ATOM 1869 CZ ARG A 120 11.438 1.452 -14.240 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.890 0.457 -14.923 1.00 0.00 N ATOM 1871 NH2 ARG A 120 12.758 1.575 -14.199 1.00 0.00 N ATOM 0 H ARG A 120 5.969 2.907 -11.519 1.00 0.00 H new ATOM 0 HA ARG A 120 6.982 5.337 -12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.681 2.776 -13.628 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.235 4.178 -14.522 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.207 4.381 -13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.564 3.437 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.886 1.393 -13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.848 2.124 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 120 11.121 3.078 -13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.875 0.360 -14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.483 -0.211 -15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.183 2.340 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.348 0.905 -14.692 1.00 0.00 H new