USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 77 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.123) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.9!) USER MOD Single : A 48 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 69:sc= -0.573 USER MOD Single : A 95 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -3.141 18.501 10.755 1.00 0.00 N ATOM 145 CA LEU A 13 -2.808 18.116 9.394 1.00 0.00 C ATOM 146 C LEU A 13 -3.957 17.294 8.806 1.00 0.00 C ATOM 147 O LEU A 13 -4.671 16.608 9.536 1.00 0.00 O ATOM 148 CB LEU A 13 -1.457 17.401 9.355 1.00 0.00 C ATOM 149 CG LEU A 13 -0.256 18.207 9.855 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.665 17.341 10.717 1.00 0.00 C ATOM 151 CD2 LEU A 13 0.492 18.856 8.689 1.00 0.00 C ATOM 0 HA LEU A 13 -2.693 18.999 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.532 16.492 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.261 17.094 8.328 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.625 19.013 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.510 17.938 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.112 16.968 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.030 16.500 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.341 19.423 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.849 18.082 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.180 19.526 8.154 1.00 0.00 H new ATOM 163 N PRO A 14 -4.103 17.392 7.458 1.00 0.00 N ATOM 164 CA PRO A 14 -5.152 16.665 6.763 1.00 0.00 C ATOM 165 C PRO A 14 -4.808 15.178 6.653 1.00 0.00 C ATOM 166 O PRO A 14 -3.638 14.803 6.701 1.00 0.00 O ATOM 167 CB PRO A 14 -5.275 17.349 5.411 1.00 0.00 C ATOM 168 CG PRO A 14 -3.984 18.127 5.219 1.00 0.00 C ATOM 169 CD PRO A 14 -3.275 18.194 6.561 1.00 0.00 C ATOM 0 HA PRO A 14 -6.104 16.689 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.413 16.618 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.139 18.013 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.351 17.639 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.195 19.130 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.263 17.796 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.190 19.222 6.913 1.00 0.00 H new ATOM 177 N ASN A 15 -5.850 14.372 6.507 1.00 0.00 N ATOM 178 CA ASN A 15 -5.673 12.935 6.389 1.00 0.00 C ATOM 179 C ASN A 15 -6.795 12.357 5.525 1.00 0.00 C ATOM 180 O ASN A 15 -7.863 12.956 5.405 1.00 0.00 O ATOM 181 CB ASN A 15 -5.735 12.258 7.760 1.00 0.00 C ATOM 182 CG ASN A 15 -6.768 12.939 8.661 1.00 0.00 C ATOM 183 OD1 ASN A 15 -7.965 12.745 8.532 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.238 13.744 9.577 1.00 0.00 N ATOM 0 H ASN A 15 -6.819 14.687 6.468 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.697 12.751 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.991 11.205 7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.754 12.295 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.843 14.245 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.226 13.861 9.629 1.00 0.00 H new ATOM 191 N ARG A 16 -6.515 11.199 4.945 1.00 0.00 N ATOM 192 CA ARG A 16 -7.488 10.533 4.095 1.00 0.00 C ATOM 193 C ARG A 16 -7.345 9.014 4.214 1.00 0.00 C ATOM 194 O ARG A 16 -6.233 8.497 4.306 1.00 0.00 O ATOM 195 CB ARG A 16 -7.312 10.942 2.632 1.00 0.00 C ATOM 196 CG ARG A 16 -8.397 10.314 1.753 1.00 0.00 C ATOM 197 CD ARG A 16 -9.760 10.954 2.023 1.00 0.00 C ATOM 198 NE ARG A 16 -9.877 12.228 1.279 1.00 0.00 N ATOM 199 CZ ARG A 16 -10.964 13.012 1.299 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.033 12.658 2.025 1.00 0.00 N ATOM 201 NH2 ARG A 16 -10.982 14.151 0.593 1.00 0.00 N ATOM 0 H ARG A 16 -5.628 10.705 5.047 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.481 10.835 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.353 12.028 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.328 10.632 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.135 10.437 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.450 9.242 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.557 10.273 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.881 11.135 3.091 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.081 12.528 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.020 11.791 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.860 13.255 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.168 14.421 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.809 14.747 0.608 1.00 0.00 H new ATOM 215 N GLN A 17 -8.487 8.342 4.208 1.00 0.00 N ATOM 216 CA GLN A 17 -8.503 6.893 4.314 1.00 0.00 C ATOM 217 C GLN A 17 -9.399 6.291 3.230 1.00 0.00 C ATOM 218 O GLN A 17 -10.450 6.845 2.911 1.00 0.00 O ATOM 219 CB GLN A 17 -8.954 6.450 5.708 1.00 0.00 C ATOM 220 CG GLN A 17 -8.364 5.085 6.067 1.00 0.00 C ATOM 221 CD GLN A 17 -8.928 4.576 7.395 1.00 0.00 C ATOM 222 OE1 GLN A 17 -8.253 4.532 8.410 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.200 4.195 7.331 1.00 0.00 N ATOM 0 H GLN A 17 -9.408 8.774 4.131 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.488 6.526 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.644 7.190 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.042 6.400 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.586 4.369 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.279 5.160 6.134 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.707 4.258 6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.668 3.840 8.164 1.00 0.00 H new ATOM 232 N LEU A 18 -8.952 5.165 2.695 1.00 0.00 N ATOM 233 CA LEU A 18 -9.700 4.482 1.654 1.00 0.00 C ATOM 234 C LEU A 18 -9.646 2.973 1.898 1.00 0.00 C ATOM 235 O LEU A 18 -8.770 2.488 2.613 1.00 0.00 O ATOM 236 CB LEU A 18 -9.197 4.899 0.270 1.00 0.00 C ATOM 237 CG LEU A 18 -9.211 6.401 -0.024 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.969 6.817 -0.814 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.505 6.808 -0.733 1.00 0.00 C ATOM 0 H LEU A 18 -8.080 4.708 2.963 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.750 4.773 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.176 4.535 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.804 4.396 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.182 6.936 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.004 7.889 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.075 6.583 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.942 6.276 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.490 7.880 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.589 6.266 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.358 6.568 -0.099 1.00 0.00 H new ATOM 251 N LYS A 19 -10.592 2.272 1.291 1.00 0.00 N ATOM 252 CA LYS A 19 -10.663 0.828 1.434 1.00 0.00 C ATOM 253 C LYS A 19 -10.303 0.170 0.101 1.00 0.00 C ATOM 254 O LYS A 19 -10.857 0.524 -0.939 1.00 0.00 O ATOM 255 CB LYS A 19 -12.030 0.410 1.978 1.00 0.00 C ATOM 256 CG LYS A 19 -13.138 0.713 0.967 1.00 0.00 C ATOM 257 CD LYS A 19 -13.504 -0.536 0.163 1.00 0.00 C ATOM 258 CE LYS A 19 -14.813 -1.148 0.665 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.967 -0.570 -0.060 1.00 0.00 N ATOM 0 H LYS A 19 -11.316 2.678 0.698 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.935 0.481 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.024 -0.655 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.230 0.936 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.020 1.085 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.812 1.503 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.600 -0.278 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.702 -1.270 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.793 -2.229 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.920 -0.966 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.800 -1.178 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.170 0.380 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.743 -0.505 -1.074 1.00 0.00 H new ATOM 273 N VAL A 20 -9.379 -0.777 0.175 1.00 0.00 N ATOM 274 CA VAL A 20 -8.940 -1.488 -1.014 1.00 0.00 C ATOM 275 C VAL A 20 -9.506 -2.909 -0.991 1.00 0.00 C ATOM 276 O VAL A 20 -8.956 -3.791 -0.334 1.00 0.00 O ATOM 277 CB VAL A 20 -7.413 -1.455 -1.108 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.935 -2.001 -2.455 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.879 -0.041 -0.870 1.00 0.00 C ATOM 0 H VAL A 20 -8.922 -1.068 1.039 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.319 -1.001 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.015 -2.100 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.846 -1.966 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.270 -3.032 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.348 -1.394 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.791 -0.046 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.290 0.634 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.175 0.297 0.123 1.00 0.00 H new ATOM 289 N LYS A 21 -10.600 -3.087 -1.718 1.00 0.00 N ATOM 290 CA LYS A 21 -11.247 -4.386 -1.790 1.00 0.00 C ATOM 291 C LYS A 21 -10.274 -5.404 -2.387 1.00 0.00 C ATOM 292 O LYS A 21 -10.079 -5.444 -3.601 1.00 0.00 O ATOM 293 CB LYS A 21 -12.572 -4.283 -2.549 1.00 0.00 C ATOM 294 CG LYS A 21 -13.694 -3.794 -1.631 1.00 0.00 C ATOM 295 CD LYS A 21 -14.811 -3.128 -2.437 1.00 0.00 C ATOM 296 CE LYS A 21 -16.177 -3.703 -2.059 1.00 0.00 C ATOM 297 NZ LYS A 21 -17.237 -3.125 -2.915 1.00 0.00 N ATOM 0 H LYS A 21 -11.054 -2.353 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.504 -4.739 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.461 -3.598 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.835 -5.257 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.099 -4.634 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.293 -3.086 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.803 -2.053 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.633 -3.275 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.164 -4.787 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.391 -3.490 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.158 -3.526 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.259 -2.093 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.040 -3.350 -3.911 1.00 0.00 H new ATOM 311 N VAL A 22 -9.688 -6.201 -1.506 1.00 0.00 N ATOM 312 CA VAL A 22 -8.739 -7.217 -1.930 1.00 0.00 C ATOM 313 C VAL A 22 -9.452 -8.567 -2.025 1.00 0.00 C ATOM 314 O VAL A 22 -10.679 -8.632 -1.955 1.00 0.00 O ATOM 315 CB VAL A 22 -7.538 -7.240 -0.983 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.910 -5.850 -0.860 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.934 -7.786 0.391 1.00 0.00 C ATOM 0 H VAL A 22 -9.852 -6.164 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.349 -6.985 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.790 -7.909 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.058 -5.894 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.575 -5.514 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.649 -5.150 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.062 -7.792 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.709 -7.153 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.313 -8.802 0.283 1.00 0.00 H new ATOM 643 N GLN A 44 7.691 0.622 -0.923 1.00 0.00 N ATOM 644 CA GLN A 44 8.290 1.568 0.003 1.00 0.00 C ATOM 645 C GLN A 44 9.043 2.657 -0.764 1.00 0.00 C ATOM 646 O GLN A 44 8.818 3.846 -0.542 1.00 0.00 O ATOM 647 CB GLN A 44 9.215 0.856 0.993 1.00 0.00 C ATOM 648 CG GLN A 44 9.417 1.696 2.256 1.00 0.00 C ATOM 649 CD GLN A 44 10.904 1.947 2.514 1.00 0.00 C ATOM 650 OE1 GLN A 44 11.776 1.399 1.860 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.144 2.804 3.503 1.00 0.00 N ATOM 0 HA GLN A 44 7.492 2.040 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.792 -0.112 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.179 0.664 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.896 2.648 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.977 1.184 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.367 3.228 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.105 3.038 3.754 1.00 0.00 H new ATOM 660 N GLU A 45 9.923 2.212 -1.649 1.00 0.00 N ATOM 661 CA GLU A 45 10.710 3.134 -2.450 1.00 0.00 C ATOM 662 C GLU A 45 9.792 4.076 -3.232 1.00 0.00 C ATOM 663 O GLU A 45 9.850 5.292 -3.057 1.00 0.00 O ATOM 664 CB GLU A 45 11.649 2.378 -3.392 1.00 0.00 C ATOM 665 CG GLU A 45 12.943 1.984 -2.676 1.00 0.00 C ATOM 666 CD GLU A 45 13.813 3.212 -2.401 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.587 3.575 -3.312 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.685 3.759 -1.284 1.00 0.00 O ATOM 0 H GLU A 45 10.108 1.225 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 45 11.326 3.733 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.151 1.485 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.882 3.001 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.706 1.484 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.497 1.270 -3.285 1.00 0.00 H new ATOM 675 N ALA A 46 8.965 3.479 -4.077 1.00 0.00 N ATOM 676 CA ALA A 46 8.036 4.249 -4.886 1.00 0.00 C ATOM 677 C ALA A 46 7.440 5.375 -4.037 1.00 0.00 C ATOM 678 O ALA A 46 7.734 6.548 -4.261 1.00 0.00 O ATOM 679 CB ALA A 46 6.963 3.319 -5.457 1.00 0.00 C ATOM 0 H ALA A 46 8.919 2.470 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 46 8.551 4.709 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.266 3.897 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.435 2.555 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.423 2.842 -4.639 1.00 0.00 H new ATOM 685 N ILE A 47 6.613 4.978 -3.081 1.00 0.00 N ATOM 686 CA ILE A 47 5.974 5.939 -2.199 1.00 0.00 C ATOM 687 C ILE A 47 7.043 6.823 -1.554 1.00 0.00 C ATOM 688 O ILE A 47 6.963 8.049 -1.621 1.00 0.00 O ATOM 689 CB ILE A 47 5.077 5.222 -1.187 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.953 4.461 -1.893 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.537 6.202 -0.143 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.738 3.086 -1.256 1.00 0.00 C ATOM 0 H ILE A 47 6.371 4.004 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 47 5.315 6.597 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 47 5.681 4.486 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.030 5.038 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.196 4.343 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.903 5.667 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.370 6.660 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.954 6.977 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.934 2.566 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.656 2.503 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.471 3.209 -0.206 1.00 0.00 H new ATOM 704 N ASN A 48 8.019 6.167 -0.945 1.00 0.00 N ATOM 705 CA ASN A 48 9.103 6.879 -0.289 1.00 0.00 C ATOM 706 C ASN A 48 9.570 8.027 -1.185 1.00 0.00 C ATOM 707 O ASN A 48 9.982 9.076 -0.692 1.00 0.00 O ATOM 708 CB ASN A 48 10.298 5.956 -0.042 1.00 0.00 C ATOM 709 CG ASN A 48 11.573 6.764 0.206 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.569 7.792 0.863 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.662 6.244 -0.354 1.00 0.00 N ATOM 0 H ASN A 48 8.082 5.150 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 48 8.732 7.252 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.096 5.316 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.440 5.301 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.563 6.710 -0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.596 5.380 -0.892 1.00 0.00 H new ATOM 718 N ASP A 49 9.489 7.790 -2.486 1.00 0.00 N ATOM 719 CA ASP A 49 9.898 8.792 -3.456 1.00 0.00 C ATOM 720 C ASP A 49 8.850 9.906 -3.505 1.00 0.00 C ATOM 721 O ASP A 49 9.192 11.087 -3.467 1.00 0.00 O ATOM 722 CB ASP A 49 10.012 8.188 -4.857 1.00 0.00 C ATOM 723 CG ASP A 49 10.922 8.954 -5.820 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.716 9.778 -5.316 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.803 8.698 -7.037 1.00 0.00 O ATOM 0 H ASP A 49 9.146 6.919 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 49 10.870 9.180 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.382 7.167 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.015 8.129 -5.293 1.00 0.00 H new ATOM 730 N LEU A 50 7.595 9.490 -3.589 1.00 0.00 N ATOM 731 CA LEU A 50 6.495 10.438 -3.644 1.00 0.00 C ATOM 732 C LEU A 50 6.426 11.209 -2.324 1.00 0.00 C ATOM 733 O LEU A 50 6.369 12.438 -2.322 1.00 0.00 O ATOM 734 CB LEU A 50 5.191 9.725 -4.008 1.00 0.00 C ATOM 735 CG LEU A 50 4.793 9.768 -5.485 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.148 8.450 -5.917 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.892 10.970 -5.775 1.00 0.00 C ATOM 0 H LEU A 50 7.315 8.510 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 50 6.662 11.170 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.274 8.681 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.384 10.164 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 50 5.698 9.893 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.874 8.507 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.855 7.633 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.254 8.269 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.624 10.977 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.987 10.901 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.422 11.890 -5.529 1.00 0.00 H new ATOM 749 N VAL A 51 6.433 10.456 -1.234 1.00 0.00 N ATOM 750 CA VAL A 51 6.373 11.054 0.089 1.00 0.00 C ATOM 751 C VAL A 51 7.478 12.103 0.221 1.00 0.00 C ATOM 752 O VAL A 51 7.357 13.042 1.006 1.00 0.00 O ATOM 753 CB VAL A 51 6.452 9.964 1.160 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.562 10.576 2.558 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.253 9.017 1.068 1.00 0.00 C ATOM 0 H VAL A 51 6.479 9.437 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 51 5.421 11.565 0.234 1.00 0.00 H new ATOM 0 HB VAL A 51 7.354 9.380 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.617 9.780 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.461 11.189 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.687 11.195 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.334 8.252 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.332 9.582 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.239 8.542 0.087 1.00 0.00 H new ATOM 765 N LYS A 52 8.531 11.908 -0.559 1.00 0.00 N ATOM 766 CA LYS A 52 9.658 12.826 -0.539 1.00 0.00 C ATOM 767 C LYS A 52 9.388 13.979 -1.507 1.00 0.00 C ATOM 768 O LYS A 52 9.712 15.129 -1.214 1.00 0.00 O ATOM 769 CB LYS A 52 10.963 12.079 -0.821 1.00 0.00 C ATOM 770 CG LYS A 52 11.603 11.584 0.477 1.00 0.00 C ATOM 771 CD LYS A 52 12.987 12.204 0.678 1.00 0.00 C ATOM 772 CE LYS A 52 12.912 13.427 1.594 1.00 0.00 C ATOM 773 NZ LYS A 52 14.269 13.941 1.885 1.00 0.00 N ATOM 0 H LYS A 52 8.628 11.128 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 52 9.776 13.263 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.767 11.233 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.657 12.737 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.962 11.836 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.687 10.498 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.662 11.464 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.404 12.493 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.315 14.207 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.410 13.162 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.200 14.771 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.827 13.200 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.735 14.213 0.996 1.00 0.00 H new ATOM 787 N LYS A 53 8.796 13.632 -2.641 1.00 0.00 N ATOM 788 CA LYS A 53 8.479 14.624 -3.654 1.00 0.00 C ATOM 789 C LYS A 53 7.413 15.578 -3.111 1.00 0.00 C ATOM 790 O LYS A 53 7.311 16.720 -3.557 1.00 0.00 O ATOM 791 CB LYS A 53 8.083 13.943 -4.965 1.00 0.00 C ATOM 792 CG LYS A 53 9.322 13.529 -5.763 1.00 0.00 C ATOM 793 CD LYS A 53 9.239 14.033 -7.205 1.00 0.00 C ATOM 794 CE LYS A 53 7.915 13.624 -7.853 1.00 0.00 C ATOM 795 NZ LYS A 53 8.145 12.612 -8.909 1.00 0.00 N ATOM 0 H LYS A 53 8.528 12.677 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 53 9.358 15.225 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.472 13.065 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.472 14.621 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.217 13.928 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.416 12.443 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.336 15.119 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.071 13.630 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.242 13.222 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.427 14.500 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.236 12.346 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.770 13.008 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.591 11.770 -8.492 1.00 0.00 H new ATOM 809 N TYR A 54 6.645 15.075 -2.155 1.00 0.00 N ATOM 810 CA TYR A 54 5.591 15.868 -1.546 1.00 0.00 C ATOM 811 C TYR A 54 6.098 16.586 -0.294 1.00 0.00 C ATOM 812 O TYR A 54 7.199 16.310 0.181 1.00 0.00 O ATOM 813 CB TYR A 54 4.497 14.878 -1.144 1.00 0.00 C ATOM 814 CG TYR A 54 3.572 14.472 -2.293 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.102 14.156 -3.527 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.207 14.422 -2.095 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.232 13.774 -4.609 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.336 14.040 -3.177 1.00 0.00 C ATOM 819 CZ TYR A 54 1.891 13.734 -4.380 1.00 0.00 C ATOM 820 OH TYR A 54 1.069 13.374 -5.401 1.00 0.00 O ATOM 0 H TYR A 54 6.732 14.128 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 54 5.233 16.628 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.964 13.983 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.898 15.318 -0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.170 14.195 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.792 14.669 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.634 13.525 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.266 13.998 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 54 0.272 12.934 -5.039 1.00 0.00 H new ATOM 830 N THR A 55 5.271 17.493 0.205 1.00 0.00 N ATOM 831 CA THR A 55 5.623 18.252 1.394 1.00 0.00 C ATOM 832 C THR A 55 5.009 17.608 2.639 1.00 0.00 C ATOM 833 O THR A 55 3.791 17.466 2.732 1.00 0.00 O ATOM 834 CB THR A 55 5.179 19.700 1.177 1.00 0.00 C ATOM 835 OG1 THR A 55 6.228 20.273 0.401 1.00 0.00 O ATOM 836 CG2 THR A 55 5.187 20.515 2.473 1.00 0.00 C ATOM 0 H THR A 55 4.359 17.720 -0.192 1.00 0.00 H new ATOM 0 HA THR A 55 6.700 18.248 1.563 1.00 0.00 H new ATOM 0 HB THR A 55 4.178 19.712 0.746 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.020 21.212 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.864 21.535 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.507 20.060 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.196 20.531 2.886 1.00 0.00 H new ATOM 844 N LEU A 56 5.881 17.236 3.564 1.00 0.00 N ATOM 845 CA LEU A 56 5.441 16.610 4.799 1.00 0.00 C ATOM 846 C LEU A 56 4.342 15.592 4.486 1.00 0.00 C ATOM 847 O LEU A 56 3.267 15.632 5.082 1.00 0.00 O ATOM 848 CB LEU A 56 5.023 17.672 5.818 1.00 0.00 C ATOM 849 CG LEU A 56 6.147 18.550 6.372 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.434 17.743 6.551 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.363 19.784 5.494 1.00 0.00 C ATOM 0 H LEU A 56 6.891 17.356 3.483 1.00 0.00 H new ATOM 0 HA LEU A 56 6.262 16.062 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.279 18.319 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.534 17.172 6.654 1.00 0.00 H new ATOM 0 HG LEU A 56 5.848 18.905 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.217 18.390 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.256 16.923 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.748 17.340 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.167 20.391 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.630 19.470 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.446 20.372 5.460 1.00 0.00 H new ATOM 863 N ALA A 57 4.651 14.704 3.553 1.00 0.00 N ATOM 864 CA ALA A 57 3.704 13.677 3.154 1.00 0.00 C ATOM 865 C ALA A 57 3.980 12.398 3.948 1.00 0.00 C ATOM 866 O ALA A 57 5.035 12.262 4.565 1.00 0.00 O ATOM 867 CB ALA A 57 3.795 13.456 1.643 1.00 0.00 C ATOM 0 H ALA A 57 5.544 14.674 3.062 1.00 0.00 H new ATOM 0 HA ALA A 57 2.684 13.990 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.084 12.685 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.561 14.386 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.805 13.139 1.382 1.00 0.00 H new ATOM 873 N ARG A 58 3.013 11.493 3.906 1.00 0.00 N ATOM 874 CA ARG A 58 3.139 10.231 4.614 1.00 0.00 C ATOM 875 C ARG A 58 2.066 9.248 4.140 1.00 0.00 C ATOM 876 O ARG A 58 0.876 9.556 4.178 1.00 0.00 O ATOM 877 CB ARG A 58 3.006 10.430 6.125 1.00 0.00 C ATOM 878 CG ARG A 58 4.329 10.135 6.835 1.00 0.00 C ATOM 879 CD ARG A 58 4.299 10.638 8.280 1.00 0.00 C ATOM 880 NE ARG A 58 5.665 10.621 8.850 1.00 0.00 N ATOM 881 CZ ARG A 58 5.969 11.045 10.084 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.007 11.522 10.885 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.236 10.993 10.517 1.00 0.00 N ATOM 0 H ARG A 58 2.139 11.609 3.393 1.00 0.00 H new ATOM 0 HA ARG A 58 4.128 9.828 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.697 11.454 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.226 9.776 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.521 9.062 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.149 10.611 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.895 11.650 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.638 10.011 8.879 1.00 0.00 H new ATOM 0 HE ARG A 58 6.422 10.264 8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.043 11.562 10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.239 11.845 11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.969 10.631 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.468 11.316 11.456 1.00 0.00 H new ATOM 897 N ALA A 59 2.527 8.084 3.704 1.00 0.00 N ATOM 898 CA ALA A 59 1.622 7.054 3.223 1.00 0.00 C ATOM 899 C ALA A 59 1.928 5.737 3.939 1.00 0.00 C ATOM 900 O ALA A 59 3.050 5.521 4.395 1.00 0.00 O ATOM 901 CB ALA A 59 1.746 6.934 1.703 1.00 0.00 C ATOM 0 H ALA A 59 3.515 7.832 3.674 1.00 0.00 H new ATOM 0 HA ALA A 59 0.588 7.318 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.067 6.161 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.489 7.887 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.770 6.668 1.441 1.00 0.00 H new ATOM 907 N PHE A 60 0.911 4.892 4.016 1.00 0.00 N ATOM 908 CA PHE A 60 1.057 3.602 4.669 1.00 0.00 C ATOM 909 C PHE A 60 0.028 2.600 4.141 1.00 0.00 C ATOM 910 O PHE A 60 -0.723 2.906 3.217 1.00 0.00 O ATOM 911 CB PHE A 60 0.814 3.827 6.163 1.00 0.00 C ATOM 912 CG PHE A 60 1.876 4.693 6.843 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.195 4.402 6.684 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.501 5.754 7.607 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.180 5.205 7.315 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.486 6.557 8.238 1.00 0.00 C ATOM 917 CZ PHE A 60 3.805 6.266 8.079 1.00 0.00 C ATOM 0 H PHE A 60 -0.018 5.075 3.637 1.00 0.00 H new ATOM 0 HA PHE A 60 2.050 3.197 4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.161 4.295 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.774 2.860 6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.493 3.560 6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.454 5.985 7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.227 4.974 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.188 7.399 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.555 6.877 8.559 1.00 0.00 H new ATOM 927 N VAL A 61 0.027 1.424 4.752 1.00 0.00 N ATOM 928 CA VAL A 61 -0.897 0.376 4.355 1.00 0.00 C ATOM 929 C VAL A 61 -1.188 -0.524 5.558 1.00 0.00 C ATOM 930 O VAL A 61 -0.266 -0.986 6.229 1.00 0.00 O ATOM 931 CB VAL A 61 -0.335 -0.392 3.157 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.720 0.287 1.841 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.183 -0.548 3.269 1.00 0.00 C ATOM 0 H VAL A 61 0.651 1.174 5.519 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.845 0.806 4.033 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.776 -1.389 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.308 -0.279 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.806 0.323 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.321 1.301 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.557 -1.097 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.649 0.437 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.426 -1.095 4.180 1.00 0.00 H new ATOM 1059 N VAL A 70 -9.164 -3.967 3.200 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.887 -3.332 3.478 1.00 0.00 C ATOM 1061 C VAL A 70 -8.062 -1.813 3.450 1.00 0.00 C ATOM 1062 O VAL A 70 -8.663 -1.270 2.524 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.829 -3.831 2.491 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.609 -2.908 2.484 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -6.424 -5.273 2.804 1.00 0.00 C ATOM 0 HA VAL A 70 -7.535 -3.600 4.474 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.267 -3.816 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.872 -3.285 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.914 -1.903 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.170 -2.877 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.671 -5.603 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.013 -5.325 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.299 -5.920 2.735 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.525 -1.169 4.476 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.614 0.278 4.581 1.00 0.00 C ATOM 1077 C ARG A 71 -6.251 0.915 4.303 1.00 0.00 C ATOM 1078 O ARG A 71 -5.218 0.371 4.690 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.093 0.701 5.972 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.147 0.186 7.058 1.00 0.00 C ATOM 1081 CD ARG A 71 -7.554 0.713 8.435 1.00 0.00 C ATOM 1082 NE ARG A 71 -6.683 0.128 9.479 1.00 0.00 N ATOM 1083 CZ ARG A 71 -7.012 0.050 10.775 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.195 0.519 11.196 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -6.158 -0.496 11.652 1.00 0.00 N ATOM 0 H ARG A 71 -7.027 -1.622 5.242 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.337 0.620 3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.155 1.788 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.098 0.316 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.155 -0.904 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.126 0.496 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.479 1.800 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.595 0.462 8.636 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.775 -0.239 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.845 0.935 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.445 0.459 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.257 -0.852 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.409 -0.555 12.639 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.293 2.058 3.635 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.075 2.775 3.301 1.00 0.00 C ATOM 1101 C VAL A 72 -5.079 4.135 4.002 1.00 0.00 C ATOM 1102 O VAL A 72 -6.126 4.769 4.127 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.933 2.886 1.782 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.911 3.960 1.404 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.563 1.536 1.165 1.00 0.00 C ATOM 0 H VAL A 72 -7.152 2.505 3.316 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.201 2.229 3.657 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.900 3.185 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.829 4.018 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.235 4.924 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.940 3.704 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.468 1.643 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.615 1.194 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.342 0.807 1.390 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.898 4.543 4.441 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.753 5.816 5.127 1.00 0.00 C ATOM 1117 C TYR A 73 -2.727 6.705 4.420 1.00 0.00 C ATOM 1118 O TYR A 73 -1.691 6.223 3.965 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.241 5.484 6.530 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.703 6.464 7.609 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.950 6.319 8.184 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.875 7.493 8.009 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.386 7.242 9.200 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.310 8.415 9.025 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.544 8.244 9.570 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.956 9.115 10.530 1.00 0.00 O ATOM 0 H TYR A 73 -3.032 4.015 4.335 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.702 6.353 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.573 4.481 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.151 5.466 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.598 5.514 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.900 7.607 7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.359 7.141 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.671 9.224 9.347 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.253 9.777 10.694 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.053 7.988 4.350 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.173 8.949 3.706 1.00 0.00 C ATOM 1138 C ALA A 74 -2.394 10.330 4.326 1.00 0.00 C ATOM 1139 O ALA A 74 -3.411 10.568 4.975 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.425 8.940 2.197 1.00 0.00 C ATOM 0 H ALA A 74 -3.914 8.384 4.728 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.129 8.680 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.765 9.661 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.227 7.944 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.463 9.209 2.000 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.423 11.204 4.104 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.498 12.556 4.633 1.00 0.00 C ATOM 1148 C GLU A 75 -0.469 13.454 3.943 1.00 0.00 C ATOM 1149 O GLU A 75 0.422 12.964 3.250 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.302 12.563 6.150 1.00 0.00 C ATOM 1151 CG GLU A 75 0.065 11.990 6.529 1.00 0.00 C ATOM 1152 CD GLU A 75 0.637 12.702 7.757 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.441 13.934 7.840 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.256 11.999 8.583 1.00 0.00 O ATOM 0 H GLU A 75 -0.581 11.003 3.565 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.493 12.951 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.390 13.582 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.090 11.978 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.028 10.923 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.753 12.095 5.690 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.627 14.752 4.156 1.00 0.00 N ATOM 1162 CA ALA A 76 0.278 15.722 3.563 1.00 0.00 C ATOM 1163 C ALA A 76 0.014 17.099 4.176 1.00 0.00 C ATOM 1164 O ALA A 76 -1.072 17.354 4.695 1.00 0.00 O ATOM 1165 CB ALA A 76 0.106 15.718 2.043 1.00 0.00 C ATOM 0 H ALA A 76 -1.368 15.154 4.730 1.00 0.00 H new ATOM 0 HA ALA A 76 1.315 15.460 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.785 16.446 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.332 14.725 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.922 15.980 1.792 1.00 0.00 H new ATOM 1171 N ASN A 77 1.025 17.952 4.094 1.00 0.00 N ATOM 1172 CA ASN A 77 0.916 19.296 4.634 1.00 0.00 C ATOM 1173 C ASN A 77 -0.329 19.974 4.057 1.00 0.00 C ATOM 1174 O ASN A 77 -0.889 20.879 4.672 1.00 0.00 O ATOM 1175 CB ASN A 77 2.133 20.142 4.256 1.00 0.00 C ATOM 1176 CG ASN A 77 1.883 21.623 4.547 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.102 22.289 3.887 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.588 22.101 5.569 1.00 0.00 N ATOM 0 H ASN A 77 1.924 17.738 3.661 1.00 0.00 H new ATOM 0 HA ASN A 77 0.854 19.219 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.005 19.800 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.359 20.009 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.492 23.079 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.225 21.489 6.080 1.00 0.00 H new ATOM 1185 N SER A 78 -0.725 19.508 2.881 1.00 0.00 N ATOM 1186 CA SER A 78 -1.892 20.058 2.213 1.00 0.00 C ATOM 1187 C SER A 78 -3.000 19.005 2.145 1.00 0.00 C ATOM 1188 O SER A 78 -2.725 17.806 2.186 1.00 0.00 O ATOM 1189 CB SER A 78 -1.542 20.552 0.808 1.00 0.00 C ATOM 1190 OG SER A 78 -0.251 21.154 0.760 1.00 0.00 O ATOM 0 H SER A 78 -0.258 18.756 2.374 1.00 0.00 H new ATOM 0 HA SER A 78 -2.246 20.912 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.578 19.715 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.291 21.273 0.480 1.00 0.00 H new ATOM 0 HG SER A 78 -0.064 21.455 -0.154 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.228 19.490 2.041 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.379 18.605 1.967 1.00 0.00 C ATOM 1198 C GLN A 79 -5.430 17.915 0.603 1.00 0.00 C ATOM 1199 O GLN A 79 -5.704 16.719 0.518 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.676 19.368 2.244 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.724 18.453 2.880 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.969 19.245 3.286 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.028 20.459 3.176 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.958 18.493 3.759 1.00 0.00 N ATOM 0 H GLN A 79 -4.452 20.485 2.006 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.275 17.840 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.473 20.210 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.065 19.781 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.001 17.668 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.300 17.961 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.843 17.482 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.832 18.927 4.056 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.161 18.698 -0.432 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.173 18.177 -1.788 1.00 0.00 C ATOM 1215 C GLU A 80 -4.319 16.910 -1.877 1.00 0.00 C ATOM 1216 O GLU A 80 -4.830 15.833 -2.180 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.693 19.233 -2.786 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.752 19.496 -3.858 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.428 18.736 -5.146 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -5.210 17.510 -5.042 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.405 19.399 -6.206 1.00 0.00 O ATOM 0 H GLU A 80 -4.933 19.690 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.200 17.919 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.466 20.160 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.768 18.899 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.732 19.192 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.807 20.565 -4.066 1.00 0.00 H new ATOM 1228 N SER A 81 -3.033 17.082 -1.608 1.00 0.00 N ATOM 1229 CA SER A 81 -2.104 15.966 -1.655 1.00 0.00 C ATOM 1230 C SER A 81 -2.583 14.847 -0.728 1.00 0.00 C ATOM 1231 O SER A 81 -2.620 13.682 -1.122 1.00 0.00 O ATOM 1232 CB SER A 81 -0.692 16.408 -1.266 1.00 0.00 C ATOM 1233 OG SER A 81 -0.573 17.827 -1.213 1.00 0.00 O ATOM 0 H SER A 81 -2.613 17.977 -1.357 1.00 0.00 H new ATOM 0 HA SER A 81 -2.070 15.593 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.435 15.986 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.024 16.011 -1.986 1.00 0.00 H new ATOM 0 HG SER A 81 0.342 18.069 -0.960 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.938 15.240 0.487 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.414 14.284 1.473 1.00 0.00 C ATOM 1241 C ALA A 82 -4.332 13.268 0.792 1.00 0.00 C ATOM 1242 O ALA A 82 -4.254 12.072 1.068 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.113 15.031 2.611 1.00 0.00 C ATOM 0 H ALA A 82 -2.906 16.207 0.811 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.580 13.733 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.470 14.315 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.410 15.718 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.958 15.593 2.213 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.181 13.781 -0.086 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.113 12.933 -0.810 1.00 0.00 C ATOM 1251 C ASP A 83 -5.411 12.337 -2.031 1.00 0.00 C ATOM 1252 O ASP A 83 -5.357 11.118 -2.187 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.319 13.736 -1.303 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.790 14.842 -0.357 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.786 14.583 0.866 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.144 15.922 -0.878 1.00 0.00 O ATOM 0 H ASP A 83 -5.243 14.774 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.453 12.150 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.070 14.183 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.148 13.049 -1.476 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.890 13.224 -2.867 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.194 12.800 -4.069 1.00 0.00 C ATOM 1263 C ARG A 84 -3.339 11.565 -3.780 1.00 0.00 C ATOM 1264 O ARG A 84 -3.559 10.503 -4.360 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.298 13.917 -4.609 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.468 14.073 -6.122 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.453 13.215 -6.879 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.141 13.836 -8.186 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.409 14.949 -8.334 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -0.910 15.570 -7.257 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.177 15.441 -9.559 1.00 0.00 N ATOM 0 H ARG A 84 -4.936 14.234 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.946 12.557 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.543 14.856 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.256 13.696 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.479 13.785 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.344 15.120 -6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.542 13.110 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.852 12.212 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.506 13.389 -9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.087 15.196 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.353 16.417 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.558 14.968 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.620 16.288 -9.671 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.380 11.745 -2.883 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.491 10.658 -2.510 1.00 0.00 C ATOM 1287 C LEU A 85 -2.322 9.423 -2.157 1.00 0.00 C ATOM 1288 O LEU A 85 -2.134 8.356 -2.741 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.544 11.100 -1.393 1.00 0.00 C ATOM 1290 CG LEU A 85 0.771 10.326 -1.283 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.864 10.978 -2.132 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.197 10.173 0.179 1.00 0.00 C ATOM 0 H LEU A 85 -2.200 12.627 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.852 10.384 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.311 12.155 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.072 11.018 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 85 0.610 9.323 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.788 10.408 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.553 10.992 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.030 11.999 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.135 9.619 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.334 11.159 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.426 9.632 0.728 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.224 9.607 -1.204 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.085 8.521 -0.767 1.00 0.00 C ATOM 1306 C ALA A 86 -4.694 7.836 -1.991 1.00 0.00 C ATOM 1307 O ALA A 86 -4.328 6.709 -2.323 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.150 9.066 0.187 1.00 0.00 C ATOM 0 H ALA A 86 -3.377 10.493 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.512 7.772 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.796 8.251 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.666 9.517 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.748 9.819 -0.327 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.615 8.544 -2.629 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.279 8.017 -3.810 1.00 0.00 C ATOM 1316 C TYR A 87 -5.304 7.217 -4.676 1.00 0.00 C ATOM 1317 O TYR A 87 -5.617 6.109 -5.108 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.763 9.234 -4.599 1.00 0.00 C ATOM 1319 CG TYR A 87 -7.901 8.930 -5.576 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.655 8.184 -6.711 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -9.173 9.402 -5.323 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -8.726 7.897 -7.630 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -10.244 9.115 -6.242 1.00 0.00 C ATOM 1324 CZ TYR A 87 -9.967 8.377 -7.350 1.00 0.00 C ATOM 1325 OH TYR A 87 -10.979 8.106 -8.218 1.00 0.00 O ATOM 0 H TYR A 87 -5.917 9.478 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.094 7.351 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.095 10.000 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.923 9.652 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.659 7.816 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.365 9.987 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.548 7.314 -8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.244 9.478 -6.055 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.809 8.511 -7.890 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.142 7.811 -4.906 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.119 7.167 -5.713 1.00 0.00 C ATOM 1337 C GLU A 88 -2.654 5.871 -5.046 1.00 0.00 C ATOM 1338 O GLU A 88 -2.871 4.783 -5.577 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.940 8.111 -5.959 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.318 9.213 -6.951 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.089 9.705 -7.718 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.518 8.881 -8.464 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.748 10.895 -7.540 1.00 0.00 O ATOM 0 H GLU A 88 -3.886 8.731 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.551 6.919 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.624 8.558 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.091 7.546 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.062 8.836 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.776 10.046 -6.418 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.022 6.031 -3.892 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.524 4.887 -3.147 1.00 0.00 C ATOM 1352 C VAL A 89 -2.557 3.759 -3.202 1.00 0.00 C ATOM 1353 O VAL A 89 -2.245 2.647 -3.625 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.172 5.306 -1.719 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.993 4.083 -0.817 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.077 6.190 -1.699 1.00 0.00 C ATOM 0 H VAL A 89 -1.844 6.935 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.606 4.509 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.003 5.892 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.743 4.409 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.919 3.509 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.189 3.459 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.305 6.474 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.919 5.640 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.102 7.087 -2.292 1.00 0.00 H new ATOM 1366 N SER A 90 -3.766 4.086 -2.769 1.00 0.00 N ATOM 1367 CA SER A 90 -4.846 3.114 -2.764 1.00 0.00 C ATOM 1368 C SER A 90 -4.890 2.373 -4.102 1.00 0.00 C ATOM 1369 O SER A 90 -5.089 1.159 -4.137 1.00 0.00 O ATOM 1370 CB SER A 90 -6.191 3.788 -2.486 1.00 0.00 C ATOM 1371 OG SER A 90 -6.220 5.134 -2.952 1.00 0.00 O ATOM 0 H SER A 90 -4.021 5.010 -2.419 1.00 0.00 H new ATOM 0 HA SER A 90 -4.657 2.397 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.987 3.220 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.390 3.771 -1.415 1.00 0.00 H new ATOM 0 HG SER A 90 -6.204 5.141 -3.932 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.701 3.133 -5.170 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.716 2.563 -6.506 1.00 0.00 C ATOM 1379 C LEU A 91 -3.490 1.668 -6.689 1.00 0.00 C ATOM 1380 O LEU A 91 -3.581 0.599 -7.291 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.833 3.668 -7.558 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.242 3.947 -8.086 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.545 5.447 -8.072 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.439 3.335 -9.474 1.00 0.00 C ATOM 0 H LEU A 91 -4.537 4.139 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.594 1.931 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.437 4.590 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.195 3.407 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.958 3.467 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.552 5.618 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.473 5.823 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.826 5.969 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.448 3.548 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.715 3.764 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.294 2.256 -9.420 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.370 2.136 -6.156 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.127 1.391 -6.253 1.00 0.00 C ATOM 1398 C LEU A 92 -1.322 0.000 -5.644 1.00 0.00 C ATOM 1399 O LEU A 92 -1.166 -1.009 -6.330 1.00 0.00 O ATOM 1400 CB LEU A 92 0.022 2.181 -5.623 1.00 0.00 C ATOM 1401 CG LEU A 92 0.730 3.181 -6.540 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.586 4.156 -5.730 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.546 2.457 -7.614 1.00 0.00 C ATOM 0 H LEU A 92 -2.298 3.022 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.850 1.247 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.365 2.721 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.762 1.473 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.029 3.770 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.078 4.856 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.952 4.707 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.339 3.601 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.039 3.190 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.297 1.827 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.883 1.837 -8.218 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.661 -0.008 -4.364 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.879 -1.258 -3.655 1.00 0.00 C ATOM 1417 C VAL A 93 -2.632 -2.230 -4.566 1.00 0.00 C ATOM 1418 O VAL A 93 -2.277 -3.404 -4.655 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.605 -0.991 -2.335 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.571 -2.226 -1.432 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.016 0.227 -1.622 1.00 0.00 C ATOM 0 H VAL A 93 -1.790 0.831 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.927 -1.723 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.648 -0.772 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.094 -2.010 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.059 -3.060 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.536 -2.489 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.550 0.395 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.961 0.050 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.116 1.105 -2.259 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.658 -1.705 -5.219 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.464 -2.512 -6.119 1.00 0.00 C ATOM 1433 C PHE A 94 -3.587 -3.224 -7.151 1.00 0.00 C ATOM 1434 O PHE A 94 -3.719 -4.429 -7.357 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.414 -1.558 -6.846 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.692 -2.223 -7.360 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.617 -3.374 -8.081 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.904 -1.664 -7.095 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.804 -3.992 -8.557 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.090 -2.282 -7.572 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.015 -3.433 -8.293 1.00 0.00 C ATOM 0 H PHE A 94 -3.950 -0.731 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.004 -3.272 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.685 -0.747 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.887 -1.108 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.655 -3.818 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.964 -0.750 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.745 -4.906 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.052 -1.838 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.917 -3.903 -8.656 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.712 -2.447 -7.773 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.813 -2.989 -8.778 1.00 0.00 C ATOM 1453 C GLN A 95 -0.661 -3.742 -8.110 1.00 0.00 C ATOM 1454 O GLN A 95 -0.326 -4.855 -8.513 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.287 -1.883 -9.695 1.00 0.00 C ATOM 1456 CG GLN A 95 0.062 -1.356 -9.201 1.00 0.00 C ATOM 1457 CD GLN A 95 0.621 -0.299 -10.155 1.00 0.00 C ATOM 1458 OE1 GLN A 95 0.286 0.872 -10.090 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.490 -0.776 -11.042 1.00 0.00 N ATOM 0 H GLN A 95 -2.607 -1.447 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.371 -3.693 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.182 -2.267 -10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.008 -1.066 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.054 -0.928 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.769 -2.181 -9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.727 -1.768 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.920 -0.150 -11.723 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.086 -3.105 -7.101 1.00 0.00 N ATOM 1469 CA LEU A 96 1.021 -3.701 -6.373 1.00 0.00 C ATOM 1470 C LEU A 96 0.587 -5.057 -5.813 1.00 0.00 C ATOM 1471 O LEU A 96 0.875 -6.097 -6.403 1.00 0.00 O ATOM 1472 CB LEU A 96 1.545 -2.735 -5.308 1.00 0.00 C ATOM 1473 CG LEU A 96 2.801 -1.944 -5.680 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.064 -2.671 -5.212 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.835 -1.642 -7.179 1.00 0.00 C ATOM 0 H LEU A 96 -0.366 -2.182 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 96 1.861 -3.886 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.752 -2.027 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.753 -3.303 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 96 2.769 -0.986 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.943 -2.088 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.034 -2.791 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.116 -3.652 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.738 -1.079 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.833 -2.577 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.959 -1.054 -7.452 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.099 -5.002 -4.681 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.576 -6.212 -4.035 1.00 0.00 C ATOM 1489 C ALA A 97 -1.441 -7.003 -5.018 1.00 0.00 C ATOM 1490 O ALA A 97 -1.027 -8.052 -5.510 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.333 -5.845 -2.757 1.00 0.00 C ATOM 0 H ALA A 97 -0.336 -4.137 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 97 0.261 -6.848 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.691 -6.753 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.666 -5.311 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.182 -5.209 -3.007 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.627 -6.471 -5.275 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.554 -7.114 -6.190 1.00 0.00 C ATOM 1499 C GLY A 98 -4.992 -7.005 -5.680 1.00 0.00 C ATOM 1500 O GLY A 98 -5.532 -7.961 -5.126 1.00 0.00 O ATOM 0 H GLY A 98 -2.967 -5.601 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.478 -6.653 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.285 -8.164 -6.308 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.572 -5.832 -5.886 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.937 -5.586 -5.454 1.00 0.00 C ATOM 1506 C GLY A 99 -7.935 -6.346 -6.331 1.00 0.00 C ATOM 1507 O GLY A 99 -7.547 -7.221 -7.104 1.00 0.00 O ATOM 0 H GLY A 99 -5.121 -5.041 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.054 -5.892 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.149 -4.518 -5.497 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.201 -5.984 -6.181 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.257 -6.620 -6.950 1.00 0.00 C ATOM 1513 C ILE A 100 -11.384 -5.614 -7.191 1.00 0.00 C ATOM 1514 O ILE A 100 -11.575 -4.690 -6.402 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.718 -7.907 -6.262 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.374 -7.604 -4.914 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.563 -8.901 -6.127 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.553 -8.544 -4.654 1.00 0.00 C ATOM 0 H ILE A 100 -9.519 -5.258 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.886 -6.923 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.475 -8.377 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.639 -7.708 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.718 -6.570 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.918 -9.807 -5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.181 -9.152 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.766 -8.454 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.001 -8.307 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.298 -8.420 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.201 -9.576 -4.647 1.00 0.00 H new