USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 81 SER OG : rot 180:sc= 0.0113 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 HIS :FLIP no HD1:sc= -0.441 F(o=-1.4,f=-0.43) USER MOD Single : A 12 HIS : no HD1:sc= -2.97! C(o=-3!,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 140:sc= -0.391 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -139:sc= 0.033 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.02 K(o=-1,f=-2.3!) USER MOD Single : A 77 ASN : amide:sc= -0.871! C(o=-0.87!,f=-5.7!) USER MOD Single : A 78 TYR OH : rot -17:sc= 1.14 USER MOD Single : A 85 ASN : amide:sc= -0.689 K(o=-0.69,f=-4.8!) USER MOD Single : A 92 SER OG : rot 153:sc= 1.17 USER MOD Single : A 94 TYR OH : rot 150:sc= -2.36 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.215 17.202 0.699 1.00 0.00 N ATOM 89 CA GLY A 10 -2.520 16.521 1.776 1.00 0.00 C ATOM 90 C GLY A 10 -2.592 15.013 1.649 1.00 0.00 C ATOM 91 O GLY A 10 -2.166 14.446 0.642 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.475 16.832 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.951 16.823 2.731 1.00 0.00 H new ATOM 95 N ALA A 11 -3.132 14.360 2.672 1.00 0.00 N ATOM 96 CA ALA A 11 -3.258 12.908 2.672 1.00 0.00 C ATOM 97 C ALA A 11 -4.587 12.473 2.062 1.00 0.00 C ATOM 98 O ALA A 11 -4.618 11.738 1.076 1.00 0.00 O ATOM 99 CB ALA A 11 -3.121 12.364 4.086 1.00 0.00 C ATOM 0 H ALA A 11 -3.490 14.814 3.512 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.455 12.499 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.217 11.278 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.145 12.635 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.903 12.788 4.716 1.00 0.00 H new ATOM 105 N HIS A 12 -5.683 12.932 2.658 1.00 0.00 N ATOM 106 CA HIS A 12 -7.016 12.589 2.174 1.00 0.00 C ATOM 107 C HIS A 12 -7.058 12.591 0.649 1.00 0.00 C ATOM 108 O HIS A 12 -7.859 11.886 0.037 1.00 0.00 O ATOM 109 CB HIS A 12 -8.050 13.571 2.725 1.00 0.00 C ATOM 110 CG HIS A 12 -7.888 14.966 2.205 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.743 15.711 2.395 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.733 15.751 1.497 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.892 16.896 1.827 1.00 0.00 C ATOM 114 NE2 HIS A 12 -8.091 16.945 1.276 1.00 0.00 N ATOM 0 H HIS A 12 -5.675 13.542 3.476 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.256 11.585 2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.049 13.213 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.980 13.587 3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.727 15.488 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.158 17.688 1.816 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.478 17.741 0.768 1.00 0.00 H new ATOM 122 N LYS A 13 -6.188 13.391 0.039 1.00 0.00 N ATOM 123 CA LYS A 13 -6.123 13.486 -1.414 1.00 0.00 C ATOM 124 C LYS A 13 -5.038 12.572 -1.971 1.00 0.00 C ATOM 125 O LYS A 13 -4.344 12.925 -2.926 1.00 0.00 O ATOM 126 CB LYS A 13 -5.856 14.932 -1.839 1.00 0.00 C ATOM 127 CG LYS A 13 -6.961 15.897 -1.444 1.00 0.00 C ATOM 128 CD LYS A 13 -8.068 15.933 -2.484 1.00 0.00 C ATOM 129 CE LYS A 13 -9.138 14.891 -2.196 1.00 0.00 C ATOM 130 NZ LYS A 13 -10.440 15.246 -2.827 1.00 0.00 N ATOM 0 H LYS A 13 -5.518 13.983 0.530 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.084 13.167 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.918 15.265 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.725 14.966 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.376 15.602 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.545 16.897 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.520 16.925 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.645 15.758 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.808 13.920 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.271 14.794 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.143 14.512 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.767 16.161 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.319 15.313 -3.858 1.00 0.00 H new ATOM 144 N VAL A 14 -4.896 11.394 -1.371 1.00 0.00 N ATOM 145 CA VAL A 14 -3.896 10.428 -1.810 1.00 0.00 C ATOM 146 C VAL A 14 -4.482 9.022 -1.871 1.00 0.00 C ATOM 147 O VAL A 14 -4.762 8.410 -0.841 1.00 0.00 O ATOM 148 CB VAL A 14 -2.673 10.423 -0.874 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.766 9.243 -1.188 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.911 11.735 -0.986 1.00 0.00 C ATOM 0 H VAL A 14 -5.461 11.086 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.579 10.730 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.024 10.319 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.907 9.256 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.319 8.313 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.421 9.313 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.050 11.714 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.570 11.872 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.566 12.561 -0.708 1.00 0.00 H new ATOM 160 N ARG A 15 -4.662 8.515 -3.086 1.00 0.00 N ATOM 161 CA ARG A 15 -5.214 7.180 -3.284 1.00 0.00 C ATOM 162 C ARG A 15 -4.149 6.223 -3.807 1.00 0.00 C ATOM 163 O ARG A 15 -3.332 6.588 -4.651 1.00 0.00 O ATOM 164 CB ARG A 15 -6.393 7.231 -4.258 1.00 0.00 C ATOM 165 CG ARG A 15 -7.658 7.819 -3.654 1.00 0.00 C ATOM 166 CD ARG A 15 -7.548 9.327 -3.490 1.00 0.00 C ATOM 167 NE ARG A 15 -8.854 9.953 -3.305 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.464 10.047 -2.128 1.00 0.00 C ATOM 169 NH1 ARG A 15 -8.887 9.560 -1.039 1.00 0.00 N ATOM 170 NH2 ARG A 15 -10.652 10.632 -2.040 1.00 0.00 N ATOM 0 H ARG A 15 -4.433 9.009 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.565 6.813 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.108 7.821 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.605 6.222 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.511 7.582 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.847 7.359 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.913 9.553 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.063 9.753 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.324 10.339 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.973 9.112 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.357 9.633 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.098 11.010 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.119 10.704 -1.136 1.00 0.00 H new ATOM 184 N ALA A 16 -4.163 4.994 -3.299 1.00 0.00 N ATOM 185 CA ALA A 16 -3.200 3.983 -3.716 1.00 0.00 C ATOM 186 C ALA A 16 -3.899 2.787 -4.352 1.00 0.00 C ATOM 187 O ALA A 16 -4.870 2.262 -3.808 1.00 0.00 O ATOM 188 CB ALA A 16 -2.357 3.536 -2.530 1.00 0.00 C ATOM 0 H ALA A 16 -4.832 4.675 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.546 4.428 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.642 2.781 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.820 4.392 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.005 3.115 -1.761 1.00 0.00 H new ATOM 222 N GLY A 20 -1.882 -5.829 -6.387 1.00 0.00 N ATOM 223 CA GLY A 20 -1.259 -6.188 -5.127 1.00 0.00 C ATOM 224 C GLY A 20 -2.134 -5.860 -3.933 1.00 0.00 C ATOM 225 O GLY A 20 -2.464 -6.739 -3.136 1.00 0.00 O ATOM 0 HA2 GLY A 20 -1.035 -7.255 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.309 -5.663 -5.032 1.00 0.00 H new ATOM 229 N LEU A 21 -2.510 -4.592 -3.809 1.00 0.00 N ATOM 230 CA LEU A 21 -3.352 -4.149 -2.703 1.00 0.00 C ATOM 231 C LEU A 21 -4.645 -4.957 -2.644 1.00 0.00 C ATOM 232 O LEU A 21 -5.207 -5.169 -1.570 1.00 0.00 O ATOM 233 CB LEU A 21 -3.673 -2.660 -2.844 1.00 0.00 C ATOM 234 CG LEU A 21 -2.585 -1.692 -2.379 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.983 -0.256 -2.685 1.00 0.00 C ATOM 236 CD2 LEU A 21 -2.314 -1.867 -0.892 1.00 0.00 C ATOM 0 H LEU A 21 -2.245 -3.853 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.803 -4.309 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.891 -2.454 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.583 -2.450 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.668 -1.918 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.197 0.419 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.125 -0.139 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.913 -0.018 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.537 -1.170 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.227 -1.669 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.984 -2.888 -0.700 1.00 0.00 H new ATOM 248 N GLU A 22 -5.109 -5.406 -3.806 1.00 0.00 N ATOM 249 CA GLU A 22 -6.335 -6.191 -3.886 1.00 0.00 C ATOM 250 C GLU A 22 -6.138 -7.571 -3.264 1.00 0.00 C ATOM 251 O GLU A 22 -7.033 -8.098 -2.602 1.00 0.00 O ATOM 252 CB GLU A 22 -6.780 -6.336 -5.343 1.00 0.00 C ATOM 253 CG GLU A 22 -5.716 -6.934 -6.248 1.00 0.00 C ATOM 254 CD GLU A 22 -6.252 -7.289 -7.622 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.065 -6.510 -8.161 1.00 0.00 O ATOM 256 OE2 GLU A 22 -5.858 -8.346 -8.158 1.00 0.00 O ATOM 0 H GLU A 22 -4.655 -5.240 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.110 -5.666 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.671 -6.962 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.063 -5.356 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.895 -6.226 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.307 -7.829 -5.779 1.00 0.00 H new ATOM 263 N ARG A 23 -4.962 -8.150 -3.481 1.00 0.00 N ATOM 264 CA ARG A 23 -4.648 -9.468 -2.944 1.00 0.00 C ATOM 265 C ARG A 23 -3.175 -9.803 -3.151 1.00 0.00 C ATOM 266 O ARG A 23 -2.566 -9.390 -4.137 1.00 0.00 O ATOM 267 CB ARG A 23 -5.522 -10.534 -3.606 1.00 0.00 C ATOM 268 CG ARG A 23 -5.786 -11.742 -2.723 1.00 0.00 C ATOM 269 CD ARG A 23 -5.990 -13.003 -3.548 1.00 0.00 C ATOM 270 NE ARG A 23 -7.386 -13.183 -3.936 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.350 -13.511 -3.084 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.070 -13.694 -1.800 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.597 -13.656 -3.513 1.00 0.00 N ATOM 0 H ARG A 23 -4.210 -7.727 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.853 -9.454 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.475 -10.086 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.041 -10.866 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.948 -11.885 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.669 -11.560 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.368 -12.956 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.659 -13.869 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.635 -13.049 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.113 -13.583 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.812 -13.946 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.817 -13.515 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.336 -13.908 -2.857 1.00 0.00 H new ATOM 287 N GLY A 24 -2.605 -10.555 -2.214 1.00 0.00 N ATOM 288 CA GLY A 24 -1.207 -10.933 -2.313 1.00 0.00 C ATOM 289 C GLY A 24 -1.011 -12.436 -2.305 1.00 0.00 C ATOM 290 O GLY A 24 -1.971 -13.193 -2.169 1.00 0.00 O ATOM 0 H GLY A 24 -3.087 -10.909 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.786 -10.520 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.655 -10.493 -1.482 1.00 0.00 H new ATOM 294 N GLU A 25 0.238 -12.869 -2.452 1.00 0.00 N ATOM 295 CA GLU A 25 0.556 -14.291 -2.463 1.00 0.00 C ATOM 296 C GLU A 25 1.915 -14.550 -1.821 1.00 0.00 C ATOM 297 O GLU A 25 2.902 -13.886 -2.141 1.00 0.00 O ATOM 298 CB GLU A 25 0.547 -14.827 -3.897 1.00 0.00 C ATOM 299 CG GLU A 25 -0.820 -15.299 -4.361 1.00 0.00 C ATOM 300 CD GLU A 25 -0.998 -15.188 -5.863 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.840 -14.072 -6.398 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.294 -16.219 -6.502 1.00 0.00 O ATOM 0 H GLU A 25 1.045 -12.255 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.206 -14.812 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.900 -14.046 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.252 -15.655 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.964 -16.336 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.591 -14.711 -3.863 1.00 0.00 H new ATOM 309 N ALA A 26 1.960 -15.518 -0.912 1.00 0.00 N ATOM 310 CA ALA A 26 3.197 -15.867 -0.225 1.00 0.00 C ATOM 311 C ALA A 26 4.268 -16.312 -1.216 1.00 0.00 C ATOM 312 O ALA A 26 4.018 -17.152 -2.080 1.00 0.00 O ATOM 313 CB ALA A 26 2.941 -16.957 0.804 1.00 0.00 C ATOM 0 H ALA A 26 1.152 -16.075 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 26 3.561 -14.978 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.874 -17.207 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.216 -16.603 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.549 -17.844 0.305 1.00 0.00 H new ATOM 319 N GLY A 27 5.463 -15.743 -1.085 1.00 0.00 N ATOM 320 CA GLY A 27 6.554 -16.094 -1.975 1.00 0.00 C ATOM 321 C GLY A 27 6.514 -15.315 -3.275 1.00 0.00 C ATOM 322 O GLY A 27 7.444 -15.385 -4.079 1.00 0.00 O ATOM 0 H GLY A 27 5.695 -15.045 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.503 -15.908 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.512 -17.161 -2.193 1.00 0.00 H new ATOM 326 N VAL A 28 5.433 -14.570 -3.484 1.00 0.00 N ATOM 327 CA VAL A 28 5.276 -13.774 -4.696 1.00 0.00 C ATOM 328 C VAL A 28 5.425 -12.287 -4.399 1.00 0.00 C ATOM 329 O VAL A 28 4.717 -11.719 -3.567 1.00 0.00 O ATOM 330 CB VAL A 28 3.906 -14.021 -5.354 1.00 0.00 C ATOM 331 CG1 VAL A 28 3.638 -12.983 -6.434 1.00 0.00 C ATOM 332 CG2 VAL A 28 3.835 -15.428 -5.927 1.00 0.00 C ATOM 0 H VAL A 28 4.653 -14.501 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 28 6.063 -14.084 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 28 3.134 -13.925 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.666 -13.173 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.643 -11.987 -5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.413 -13.044 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.860 -15.584 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.615 -15.555 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.979 -16.154 -5.127 1.00 0.00 H new ATOM 342 N PRO A 29 6.367 -11.636 -5.097 1.00 0.00 N ATOM 343 CA PRO A 29 6.632 -10.204 -4.927 1.00 0.00 C ATOM 344 C PRO A 29 5.498 -9.338 -5.464 1.00 0.00 C ATOM 345 O PRO A 29 5.293 -9.248 -6.675 1.00 0.00 O ATOM 346 CB PRO A 29 7.909 -9.980 -5.741 1.00 0.00 C ATOM 347 CG PRO A 29 7.902 -11.064 -6.763 1.00 0.00 C ATOM 348 CD PRO A 29 7.248 -12.248 -6.106 1.00 0.00 C ATOM 0 HA PRO A 29 6.727 -9.928 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.913 -8.995 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.796 -10.037 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.352 -10.758 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.916 -11.306 -7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.684 -12.844 -6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.983 -12.910 -5.649 1.00 0.00 H new ATOM 356 N ALA A 30 4.765 -8.701 -4.557 1.00 0.00 N ATOM 357 CA ALA A 30 3.654 -7.839 -4.941 1.00 0.00 C ATOM 358 C ALA A 30 4.113 -6.395 -5.114 1.00 0.00 C ATOM 359 O ALA A 30 4.333 -5.684 -4.136 1.00 0.00 O ATOM 360 CB ALA A 30 2.541 -7.920 -3.905 1.00 0.00 C ATOM 0 H ALA A 30 4.921 -8.766 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 30 3.270 -8.188 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.718 -7.271 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.185 -8.948 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.922 -7.599 -2.936 1.00 0.00 H new ATOM 366 N GLU A 31 4.255 -5.971 -6.366 1.00 0.00 N ATOM 367 CA GLU A 31 4.689 -4.612 -6.666 1.00 0.00 C ATOM 368 C GLU A 31 3.498 -3.723 -7.009 1.00 0.00 C ATOM 369 O GLU A 31 2.670 -4.073 -7.852 1.00 0.00 O ATOM 370 CB GLU A 31 5.687 -4.616 -7.825 1.00 0.00 C ATOM 371 CG GLU A 31 6.522 -5.883 -7.906 1.00 0.00 C ATOM 372 CD GLU A 31 7.565 -5.827 -9.005 1.00 0.00 C ATOM 373 OE1 GLU A 31 7.179 -5.883 -10.192 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.766 -5.727 -8.679 1.00 0.00 O ATOM 0 H GLU A 31 4.076 -6.548 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 31 5.176 -4.210 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.144 -4.489 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.352 -3.759 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.017 -6.049 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.865 -6.736 -8.077 1.00 0.00 H new ATOM 381 N PHE A 32 3.416 -2.572 -6.351 1.00 0.00 N ATOM 382 CA PHE A 32 2.325 -1.632 -6.585 1.00 0.00 C ATOM 383 C PHE A 32 2.851 -0.204 -6.694 1.00 0.00 C ATOM 384 O PHE A 32 3.632 0.247 -5.855 1.00 0.00 O ATOM 385 CB PHE A 32 1.295 -1.724 -5.458 1.00 0.00 C ATOM 386 CG PHE A 32 1.869 -1.451 -4.096 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.596 -2.423 -3.429 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.682 -0.221 -3.486 1.00 0.00 C ATOM 389 CE1 PHE A 32 3.125 -2.174 -2.176 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.209 0.034 -2.234 1.00 0.00 C ATOM 391 CZ PHE A 32 2.932 -0.944 -1.578 1.00 0.00 C ATOM 0 H PHE A 32 4.092 -2.267 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 32 1.846 -1.896 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.491 -1.015 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.851 -2.719 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.751 -3.386 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.118 0.547 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.689 -2.941 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.056 0.997 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.345 -0.747 -0.600 1.00 0.00 H new ATOM 401 N SER A 33 2.418 0.502 -7.734 1.00 0.00 N ATOM 402 CA SER A 33 2.848 1.877 -7.955 1.00 0.00 C ATOM 403 C SER A 33 1.904 2.859 -7.269 1.00 0.00 C ATOM 404 O SER A 33 0.702 2.608 -7.159 1.00 0.00 O ATOM 405 CB SER A 33 2.913 2.178 -9.454 1.00 0.00 C ATOM 406 OG SER A 33 3.728 1.235 -10.128 1.00 0.00 O ATOM 0 H SER A 33 1.770 0.144 -8.436 1.00 0.00 H new ATOM 0 HA SER A 33 3.842 1.994 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.908 2.162 -9.875 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.308 3.182 -9.610 1.00 0.00 H new ATOM 0 HG SER A 33 3.752 1.448 -11.084 1.00 0.00 H new ATOM 412 N ILE A 34 2.454 3.977 -6.809 1.00 0.00 N ATOM 413 CA ILE A 34 1.661 4.998 -6.134 1.00 0.00 C ATOM 414 C ILE A 34 1.987 6.389 -6.668 1.00 0.00 C ATOM 415 O ILE A 34 3.118 6.860 -6.550 1.00 0.00 O ATOM 416 CB ILE A 34 1.895 4.977 -4.612 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.473 3.627 -4.029 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.132 6.110 -3.943 1.00 0.00 C ATOM 419 CD1 ILE A 34 1.876 3.440 -2.583 1.00 0.00 C ATOM 0 H ILE A 34 3.446 4.200 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 34 0.614 4.770 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 34 2.959 5.119 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.391 3.527 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.913 2.829 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.308 6.082 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.475 7.065 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.066 5.997 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.544 2.461 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.960 3.507 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.414 4.216 -1.973 1.00 0.00 H new ATOM 549 N LEU A 44 6.588 9.449 1.215 1.00 0.00 N ATOM 550 CA LEU A 44 5.683 8.326 1.434 1.00 0.00 C ATOM 551 C LEU A 44 6.306 7.301 2.377 1.00 0.00 C ATOM 552 O LEU A 44 7.526 7.148 2.425 1.00 0.00 O ATOM 553 CB LEU A 44 5.330 7.662 0.102 1.00 0.00 C ATOM 554 CG LEU A 44 4.267 8.370 -0.739 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.262 7.827 -2.160 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.893 8.216 -0.103 1.00 0.00 C ATOM 0 HA LEU A 44 4.772 8.710 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.240 7.580 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.988 6.647 0.304 1.00 0.00 H new ATOM 0 HG LEU A 44 4.510 9.432 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.499 8.342 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.239 7.990 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.044 6.759 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.149 8.726 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.641 7.158 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.903 8.654 0.895 1.00 0.00 H new ATOM 568 N SER A 45 5.458 6.600 3.123 1.00 0.00 N ATOM 569 CA SER A 45 5.925 5.591 4.066 1.00 0.00 C ATOM 570 C SER A 45 5.210 4.262 3.837 1.00 0.00 C ATOM 571 O SER A 45 4.037 4.232 3.465 1.00 0.00 O ATOM 572 CB SER A 45 5.701 6.062 5.503 1.00 0.00 C ATOM 573 OG SER A 45 4.408 5.703 5.963 1.00 0.00 O ATOM 0 H SER A 45 4.445 6.712 3.093 1.00 0.00 H new ATOM 0 HA SER A 45 6.992 5.443 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.457 5.623 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.822 7.144 5.557 1.00 0.00 H new ATOM 0 HG SER A 45 4.463 5.406 6.895 1.00 0.00 H new ATOM 579 N ILE A 46 5.927 3.166 4.061 1.00 0.00 N ATOM 580 CA ILE A 46 5.361 1.834 3.881 1.00 0.00 C ATOM 581 C ILE A 46 5.891 0.865 4.934 1.00 0.00 C ATOM 582 O ILE A 46 7.100 0.700 5.088 1.00 0.00 O ATOM 583 CB ILE A 46 5.676 1.274 2.481 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.093 2.188 1.400 1.00 0.00 C ATOM 585 CG2 ILE A 46 5.129 -0.138 2.340 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.616 1.892 0.012 1.00 0.00 C ATOM 0 H ILE A 46 6.900 3.174 4.367 1.00 0.00 H new ATOM 0 HA ILE A 46 4.281 1.932 3.991 1.00 0.00 H new ATOM 0 HB ILE A 46 6.758 1.237 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.007 2.090 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.319 3.224 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.360 -0.520 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.586 -0.782 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.048 -0.125 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.160 2.578 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.699 2.019 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.367 0.866 -0.260 1.00 0.00 H new ATOM 598 N ALA A 47 4.974 0.226 5.653 1.00 0.00 N ATOM 599 CA ALA A 47 5.348 -0.730 6.689 1.00 0.00 C ATOM 600 C ALA A 47 4.432 -1.949 6.666 1.00 0.00 C ATOM 601 O ALA A 47 3.253 -1.860 7.006 1.00 0.00 O ATOM 602 CB ALA A 47 5.311 -0.066 8.057 1.00 0.00 C ATOM 0 H ALA A 47 3.968 0.352 5.538 1.00 0.00 H new ATOM 0 HA ALA A 47 6.365 -1.068 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.592 -0.791 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.010 0.770 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.304 0.299 8.257 1.00 0.00 H new ATOM 608 N VAL A 48 4.984 -3.090 6.261 1.00 0.00 N ATOM 609 CA VAL A 48 4.217 -4.328 6.195 1.00 0.00 C ATOM 610 C VAL A 48 4.355 -5.130 7.484 1.00 0.00 C ATOM 611 O VAL A 48 5.397 -5.732 7.743 1.00 0.00 O ATOM 612 CB VAL A 48 4.665 -5.201 5.008 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.914 -6.525 5.005 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.462 -4.461 3.695 1.00 0.00 C ATOM 0 H VAL A 48 5.959 -3.182 5.974 1.00 0.00 H new ATOM 0 HA VAL A 48 3.173 -4.048 6.057 1.00 0.00 H new ATOM 0 HB VAL A 48 5.728 -5.414 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.244 -7.128 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.116 -7.060 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.844 -6.336 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.784 -5.093 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.407 -4.216 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.050 -3.543 3.700 1.00 0.00 H new ATOM 624 N GLU A 49 3.297 -5.134 8.288 1.00 0.00 N ATOM 625 CA GLU A 49 3.301 -5.863 9.551 1.00 0.00 C ATOM 626 C GLU A 49 2.251 -6.970 9.544 1.00 0.00 C ATOM 627 O GLU A 49 1.061 -6.711 9.373 1.00 0.00 O ATOM 628 CB GLU A 49 3.043 -4.908 10.718 1.00 0.00 C ATOM 629 CG GLU A 49 4.122 -3.852 10.891 1.00 0.00 C ATOM 630 CD GLU A 49 3.688 -2.717 11.797 1.00 0.00 C ATOM 631 OE1 GLU A 49 3.209 -2.998 12.915 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.829 -1.545 11.387 1.00 0.00 O ATOM 0 H GLU A 49 2.427 -4.641 8.088 1.00 0.00 H new ATOM 0 HA GLU A 49 4.284 -6.319 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.084 -4.413 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.962 -5.486 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.018 -4.317 11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.391 -3.450 9.914 1.00 0.00 H new ATOM 639 N GLY A 50 2.702 -8.207 9.730 1.00 0.00 N ATOM 640 CA GLY A 50 1.789 -9.336 9.740 1.00 0.00 C ATOM 641 C GLY A 50 2.221 -10.421 10.707 1.00 0.00 C ATOM 642 O GLY A 50 2.984 -10.181 11.642 1.00 0.00 O ATOM 0 H GLY A 50 3.683 -8.448 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.791 -8.990 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.722 -9.754 8.736 1.00 0.00 H new ATOM 646 N PRO A 51 1.724 -11.647 10.486 1.00 0.00 N ATOM 647 CA PRO A 51 2.048 -12.797 11.335 1.00 0.00 C ATOM 648 C PRO A 51 3.496 -13.248 11.174 1.00 0.00 C ATOM 649 O PRO A 51 4.002 -14.038 11.970 1.00 0.00 O ATOM 650 CB PRO A 51 1.090 -13.884 10.841 1.00 0.00 C ATOM 651 CG PRO A 51 0.787 -13.508 9.432 1.00 0.00 C ATOM 652 CD PRO A 51 0.808 -12.004 9.390 1.00 0.00 C ATOM 0 HA PRO A 51 1.940 -12.564 12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.548 -14.871 10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.184 -13.918 11.446 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.525 -13.928 8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.186 -13.893 9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.166 -11.633 8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.186 -11.583 9.543 1.00 0.00 H new ATOM 660 N SER A 52 4.157 -12.739 10.139 1.00 0.00 N ATOM 661 CA SER A 52 5.545 -13.091 9.871 1.00 0.00 C ATOM 662 C SER A 52 6.304 -11.906 9.282 1.00 0.00 C ATOM 663 O SER A 52 5.739 -10.831 9.080 1.00 0.00 O ATOM 664 CB SER A 52 5.616 -14.284 8.914 1.00 0.00 C ATOM 665 OG SER A 52 6.799 -15.035 9.120 1.00 0.00 O ATOM 0 H SER A 52 3.753 -12.081 9.473 1.00 0.00 H new ATOM 0 HA SER A 52 6.013 -13.365 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.746 -14.924 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.581 -13.930 7.884 1.00 0.00 H new ATOM 0 HG SER A 52 6.819 -15.792 8.498 1.00 0.00 H new ATOM 671 N LYS A 53 7.588 -12.111 9.007 1.00 0.00 N ATOM 672 CA LYS A 53 8.426 -11.061 8.440 1.00 0.00 C ATOM 673 C LYS A 53 8.215 -10.951 6.933 1.00 0.00 C ATOM 674 O LYS A 53 8.120 -11.960 6.235 1.00 0.00 O ATOM 675 CB LYS A 53 9.900 -11.338 8.739 1.00 0.00 C ATOM 676 CG LYS A 53 10.772 -10.096 8.705 1.00 0.00 C ATOM 677 CD LYS A 53 10.546 -9.221 9.926 1.00 0.00 C ATOM 678 CE LYS A 53 11.370 -9.695 11.112 1.00 0.00 C ATOM 679 NZ LYS A 53 10.956 -9.027 12.378 1.00 0.00 N ATOM 0 H LYS A 53 8.071 -12.995 9.168 1.00 0.00 H new ATOM 0 HA LYS A 53 8.140 -10.115 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.982 -11.802 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.280 -12.058 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.821 -10.388 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.557 -9.524 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.807 -8.190 9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.488 -9.229 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.264 -10.774 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.425 -9.495 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.542 -9.377 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.081 -7.999 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.956 -9.238 12.571 1.00 0.00 H new ATOM 693 N ALA A 54 8.143 -9.720 6.438 1.00 0.00 N ATOM 694 CA ALA A 54 7.947 -9.479 5.014 1.00 0.00 C ATOM 695 C ALA A 54 9.008 -8.531 4.466 1.00 0.00 C ATOM 696 O ALA A 54 9.319 -7.512 5.081 1.00 0.00 O ATOM 697 CB ALA A 54 6.555 -8.918 4.760 1.00 0.00 C ATOM 0 H ALA A 54 8.218 -8.874 7.002 1.00 0.00 H new ATOM 0 HA ALA A 54 8.044 -10.432 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.423 -8.743 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.807 -9.631 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.438 -7.978 5.299 1.00 0.00 H new ATOM 703 N GLU A 55 9.561 -8.875 3.308 1.00 0.00 N ATOM 704 CA GLU A 55 10.590 -8.054 2.679 1.00 0.00 C ATOM 705 C GLU A 55 9.971 -6.843 1.987 1.00 0.00 C ATOM 706 O GLU A 55 8.818 -6.881 1.559 1.00 0.00 O ATOM 707 CB GLU A 55 11.386 -8.882 1.667 1.00 0.00 C ATOM 708 CG GLU A 55 12.819 -8.409 1.489 1.00 0.00 C ATOM 709 CD GLU A 55 13.640 -9.350 0.629 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.078 -9.919 -0.330 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.844 -9.517 0.914 1.00 0.00 O ATOM 0 H GLU A 55 9.314 -9.716 2.786 1.00 0.00 H new ATOM 0 HA GLU A 55 11.264 -7.700 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.393 -9.924 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.878 -8.848 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.817 -7.417 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.290 -8.312 2.467 1.00 0.00 H new ATOM 718 N ILE A 56 10.746 -5.769 1.883 1.00 0.00 N ATOM 719 CA ILE A 56 10.276 -4.547 1.243 1.00 0.00 C ATOM 720 C ILE A 56 11.397 -3.865 0.468 1.00 0.00 C ATOM 721 O ILE A 56 12.514 -3.718 0.968 1.00 0.00 O ATOM 722 CB ILE A 56 9.704 -3.556 2.275 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.536 -4.191 3.031 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.262 -2.273 1.588 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.191 -3.478 4.320 1.00 0.00 C ATOM 0 H ILE A 56 11.703 -5.720 2.234 1.00 0.00 H new ATOM 0 HA ILE A 56 9.485 -4.837 0.552 1.00 0.00 H new ATOM 0 HB ILE A 56 10.486 -3.310 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.658 -4.201 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.780 -5.230 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.860 -1.583 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.116 -1.814 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.492 -2.502 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.354 -3.983 4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.055 -3.490 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.915 -2.446 4.102 1.00 0.00 H new ATOM 737 N THR A 57 11.094 -3.447 -0.757 1.00 0.00 N ATOM 738 CA THR A 57 12.076 -2.779 -1.602 1.00 0.00 C ATOM 739 C THR A 57 11.643 -1.355 -1.929 1.00 0.00 C ATOM 740 O THR A 57 10.751 -1.140 -2.750 1.00 0.00 O ATOM 741 CB THR A 57 12.302 -3.550 -2.918 1.00 0.00 C ATOM 742 OG1 THR A 57 12.696 -4.897 -2.634 1.00 0.00 O ATOM 743 CG2 THR A 57 13.366 -2.871 -3.765 1.00 0.00 C ATOM 0 H THR A 57 10.176 -3.559 -1.186 1.00 0.00 H new ATOM 0 HA THR A 57 13.010 -2.752 -1.040 1.00 0.00 H new ATOM 0 HB THR A 57 11.366 -3.557 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.836 -5.381 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.509 -3.432 -4.688 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.049 -1.856 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.305 -2.837 -3.212 1.00 0.00 H new ATOM 884 N VAL A 68 7.423 0.177 -5.562 1.00 0.00 N ATOM 885 CA VAL A 68 7.231 -0.420 -4.245 1.00 0.00 C ATOM 886 C VAL A 68 6.897 -1.903 -4.357 1.00 0.00 C ATOM 887 O VAL A 68 5.877 -2.278 -4.936 1.00 0.00 O ATOM 888 CB VAL A 68 6.109 0.291 -3.465 1.00 0.00 C ATOM 889 CG1 VAL A 68 5.928 -0.343 -2.094 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.407 1.777 -3.339 1.00 0.00 C ATOM 0 HA VAL A 68 8.170 -0.303 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 68 5.177 0.177 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.131 0.172 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.666 -1.394 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.857 -0.262 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.604 2.263 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.349 1.915 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.482 2.219 -4.333 1.00 0.00 H new ATOM 900 N SER A 69 7.763 -2.744 -3.800 1.00 0.00 N ATOM 901 CA SER A 69 7.561 -4.187 -3.840 1.00 0.00 C ATOM 902 C SER A 69 7.786 -4.805 -2.464 1.00 0.00 C ATOM 903 O SER A 69 8.575 -4.299 -1.664 1.00 0.00 O ATOM 904 CB SER A 69 8.506 -4.827 -4.859 1.00 0.00 C ATOM 905 OG SER A 69 8.777 -3.940 -5.930 1.00 0.00 O ATOM 0 H SER A 69 8.611 -2.450 -3.316 1.00 0.00 H new ATOM 0 HA SER A 69 6.531 -4.377 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.439 -5.106 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.062 -5.744 -5.246 1.00 0.00 H new ATOM 0 HG SER A 69 8.768 -4.436 -6.775 1.00 0.00 H new ATOM 911 N TYR A 70 7.087 -5.902 -2.194 1.00 0.00 N ATOM 912 CA TYR A 70 7.208 -6.589 -0.913 1.00 0.00 C ATOM 913 C TYR A 70 6.829 -8.061 -1.047 1.00 0.00 C ATOM 914 O TYR A 70 5.897 -8.410 -1.772 1.00 0.00 O ATOM 915 CB TYR A 70 6.322 -5.917 0.136 1.00 0.00 C ATOM 916 CG TYR A 70 4.887 -6.389 0.110 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.494 -7.522 0.811 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.921 -5.703 -0.618 1.00 0.00 C ATOM 919 CE1 TYR A 70 3.184 -7.959 0.789 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.608 -6.131 -0.644 1.00 0.00 C ATOM 921 CZ TYR A 70 2.245 -7.259 0.060 1.00 0.00 C ATOM 922 OH TYR A 70 0.938 -7.689 0.036 1.00 0.00 O ATOM 0 H TYR A 70 6.431 -6.334 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 70 8.248 -6.527 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.739 -6.105 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.344 -4.838 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.226 -8.071 1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.202 -4.820 -1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.897 -8.843 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.870 -5.585 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 70 0.405 -7.085 -0.522 1.00 0.00 H new ATOM 932 N ILE A 71 7.558 -8.920 -0.342 1.00 0.00 N ATOM 933 CA ILE A 71 7.298 -10.353 -0.380 1.00 0.00 C ATOM 934 C ILE A 71 6.941 -10.884 1.005 1.00 0.00 C ATOM 935 O ILE A 71 7.504 -10.453 2.011 1.00 0.00 O ATOM 936 CB ILE A 71 8.512 -11.132 -0.918 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.636 -10.945 -2.431 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.392 -12.607 -0.569 1.00 0.00 C ATOM 939 CD1 ILE A 71 9.906 -11.527 -3.011 1.00 0.00 C ATOM 0 H ILE A 71 8.333 -8.648 0.262 1.00 0.00 H new ATOM 0 HA ILE A 71 6.454 -10.502 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 71 9.414 -10.740 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.778 -11.409 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.596 -9.880 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.258 -13.144 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.348 -12.722 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.484 -13.014 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.926 -11.357 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.770 -11.046 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.939 -12.598 -2.812 1.00 0.00 H new ATOM 951 N ALA A 72 6.002 -11.824 1.048 1.00 0.00 N ATOM 952 CA ALA A 72 5.573 -12.417 2.309 1.00 0.00 C ATOM 953 C ALA A 72 5.906 -13.905 2.358 1.00 0.00 C ATOM 954 O ALA A 72 5.185 -14.729 1.798 1.00 0.00 O ATOM 955 CB ALA A 72 4.080 -12.202 2.511 1.00 0.00 C ATOM 0 H ALA A 72 5.524 -12.191 0.225 1.00 0.00 H new ATOM 0 HA ALA A 72 6.114 -11.924 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.773 -12.650 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.865 -11.133 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.531 -12.669 1.693 1.00 0.00 H new ATOM 961 N GLN A 73 7.005 -14.238 3.029 1.00 0.00 N ATOM 962 CA GLN A 73 7.433 -15.626 3.149 1.00 0.00 C ATOM 963 C GLN A 73 6.246 -16.540 3.440 1.00 0.00 C ATOM 964 O GLN A 73 5.984 -17.486 2.699 1.00 0.00 O ATOM 965 CB GLN A 73 8.482 -15.765 4.255 1.00 0.00 C ATOM 966 CG GLN A 73 9.774 -15.021 3.962 1.00 0.00 C ATOM 967 CD GLN A 73 10.313 -15.308 2.575 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.042 -16.361 1.997 1.00 0.00 O ATOM 969 NE2 GLN A 73 11.081 -14.370 2.031 1.00 0.00 N ATOM 0 H GLN A 73 7.614 -13.566 3.497 1.00 0.00 H new ATOM 0 HA GLN A 73 7.875 -15.926 2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.063 -15.395 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.706 -16.822 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.603 -13.950 4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.524 -15.298 4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.280 -13.512 2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.471 -14.508 1.099 1.00 0.00 H new ATOM 978 N GLU A 74 5.534 -16.248 4.523 1.00 0.00 N ATOM 979 CA GLU A 74 4.376 -17.044 4.912 1.00 0.00 C ATOM 980 C GLU A 74 3.078 -16.299 4.615 1.00 0.00 C ATOM 981 O GLU A 74 2.990 -15.078 4.748 1.00 0.00 O ATOM 982 CB GLU A 74 4.446 -17.395 6.400 1.00 0.00 C ATOM 983 CG GLU A 74 5.765 -18.029 6.814 1.00 0.00 C ATOM 984 CD GLU A 74 5.751 -19.539 6.686 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.835 -20.040 5.545 1.00 0.00 O ATOM 986 OE2 GLU A 74 5.656 -20.221 7.728 1.00 0.00 O ATOM 0 H GLU A 74 5.738 -15.467 5.146 1.00 0.00 H new ATOM 0 HA GLU A 74 4.388 -17.964 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.288 -16.490 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.632 -18.078 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.568 -17.623 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.986 -17.758 7.846 1.00 0.00 H new ATOM 993 N PRO A 75 2.046 -17.049 4.204 1.00 0.00 N ATOM 994 CA PRO A 75 0.734 -16.482 3.879 1.00 0.00 C ATOM 995 C PRO A 75 -0.001 -15.976 5.115 1.00 0.00 C ATOM 996 O PRO A 75 0.213 -16.470 6.222 1.00 0.00 O ATOM 997 CB PRO A 75 -0.018 -17.659 3.255 1.00 0.00 C ATOM 998 CG PRO A 75 0.633 -18.871 3.828 1.00 0.00 C ATOM 999 CD PRO A 75 2.080 -18.510 4.023 1.00 0.00 C ATOM 0 HA PRO A 75 0.817 -15.616 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.079 -17.626 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.058 -17.646 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.170 -19.153 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.530 -19.724 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.506 -19.013 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.685 -18.794 3.162 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.868 -14.987 4.921 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.622 -14.431 6.029 1.00 0.00 C ATOM 1009 C GLY A 76 -2.154 -13.044 5.731 1.00 0.00 C ATOM 1010 O GLY A 76 -2.027 -12.550 4.611 1.00 0.00 O ATOM 0 H GLY A 76 -1.062 -14.561 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.455 -15.093 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.986 -14.390 6.913 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.756 -12.413 6.735 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.313 -11.076 6.573 1.00 0.00 C ATOM 1016 C ASN A 77 -2.284 -10.010 6.941 1.00 0.00 C ATOM 1017 O ASN A 77 -2.100 -9.689 8.115 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.563 -10.913 7.439 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.251 -10.973 8.922 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.372 -11.720 9.353 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -4.972 -10.185 9.711 1.00 0.00 N ATOM 0 H ASN A 77 -2.870 -12.807 7.669 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.585 -10.948 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.039 -9.960 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.279 -11.696 7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.807 -10.183 10.718 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.690 -9.582 9.310 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.616 -9.468 5.929 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.603 -8.440 6.145 1.00 0.00 C ATOM 1030 C TYR A 78 -1.226 -7.048 6.116 1.00 0.00 C ATOM 1031 O TYR A 78 -1.970 -6.709 5.196 1.00 0.00 O ATOM 1032 CB TYR A 78 0.493 -8.543 5.084 1.00 0.00 C ATOM 1033 CG TYR A 78 1.414 -9.727 5.277 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.024 -11.005 4.899 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.675 -9.565 5.838 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.862 -12.089 5.075 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.520 -10.643 6.016 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.109 -11.903 5.634 1.00 0.00 C ATOM 1039 OH TYR A 78 3.948 -12.980 5.810 1.00 0.00 O ATOM 0 H TYR A 78 -1.757 -9.723 4.951 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.162 -8.601 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.029 -8.611 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.085 -7.628 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.049 -11.154 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.000 -8.580 6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.542 -13.077 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.498 -10.500 6.452 1.00 0.00 H new ATOM 0 HH TYR A 78 3.431 -13.810 5.751 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.916 -6.246 7.130 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.445 -4.890 7.220 1.00 0.00 C ATOM 1051 C GLU A 79 -0.360 -3.861 6.915 1.00 0.00 C ATOM 1052 O GLU A 79 0.502 -3.586 7.748 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.025 -4.638 8.613 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.173 -3.643 8.624 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.354 -2.975 9.973 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.339 -2.558 10.569 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.510 -2.869 10.433 1.00 0.00 O ATOM 0 H GLU A 79 -0.302 -6.512 7.900 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.238 -4.786 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.371 -5.584 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.233 -4.273 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.995 -2.880 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.095 -4.155 8.350 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.410 -3.298 5.711 1.00 0.00 N ATOM 1065 CA VAL A 80 0.567 -2.300 5.294 1.00 0.00 C ATOM 1066 C VAL A 80 0.148 -0.902 5.738 1.00 0.00 C ATOM 1067 O VAL A 80 -0.876 -0.380 5.298 1.00 0.00 O ATOM 1068 CB VAL A 80 0.757 -2.305 3.766 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.855 -1.333 3.360 1.00 0.00 C ATOM 1070 CG2 VAL A 80 1.068 -3.710 3.273 1.00 0.00 C ATOM 0 H VAL A 80 -1.116 -3.516 5.008 1.00 0.00 H new ATOM 0 HA VAL A 80 1.511 -2.563 5.771 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.173 -1.979 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.974 -1.351 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.586 -0.326 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.793 -1.625 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.199 -3.695 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.984 -4.067 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.244 -4.376 3.529 1.00 0.00 H new ATOM 1080 N SER A 81 0.948 -0.301 6.613 1.00 0.00 N ATOM 1081 CA SER A 81 0.659 1.036 7.120 1.00 0.00 C ATOM 1082 C SER A 81 1.332 2.100 6.259 1.00 0.00 C ATOM 1083 O SER A 81 2.558 2.148 6.157 1.00 0.00 O ATOM 1084 CB SER A 81 1.127 1.166 8.570 1.00 0.00 C ATOM 1085 OG SER A 81 0.578 2.321 9.181 1.00 0.00 O ATOM 0 H SER A 81 1.801 -0.718 6.986 1.00 0.00 H new ATOM 0 HA SER A 81 -0.419 1.189 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.833 0.279 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.215 1.217 8.601 1.00 0.00 H new ATOM 0 HG SER A 81 0.891 2.381 10.108 1.00 0.00 H new ATOM 1091 N ILE A 82 0.521 2.952 5.640 1.00 0.00 N ATOM 1092 CA ILE A 82 1.037 4.017 4.790 1.00 0.00 C ATOM 1093 C ILE A 82 0.729 5.390 5.379 1.00 0.00 C ATOM 1094 O ILE A 82 -0.387 5.649 5.830 1.00 0.00 O ATOM 1095 CB ILE A 82 0.448 3.936 3.369 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.840 2.616 2.704 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.919 5.117 2.533 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.383 2.502 1.267 1.00 0.00 C ATOM 0 H ILE A 82 -0.496 2.925 5.712 1.00 0.00 H new ATOM 0 HA ILE A 82 2.117 3.883 4.736 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.639 3.976 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.924 2.508 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.418 1.791 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.495 5.046 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.593 6.046 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.007 5.106 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.696 1.540 0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.704 2.577 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.826 3.306 0.679 1.00 0.00 H new ATOM 1110 N LYS A 83 1.726 6.268 5.369 1.00 0.00 N ATOM 1111 CA LYS A 83 1.563 7.617 5.899 1.00 0.00 C ATOM 1112 C LYS A 83 2.121 8.653 4.930 1.00 0.00 C ATOM 1113 O LYS A 83 3.316 8.662 4.635 1.00 0.00 O ATOM 1114 CB LYS A 83 2.262 7.742 7.255 1.00 0.00 C ATOM 1115 CG LYS A 83 1.371 7.391 8.434 1.00 0.00 C ATOM 1116 CD LYS A 83 1.775 8.153 9.685 1.00 0.00 C ATOM 1117 CE LYS A 83 3.124 7.686 10.210 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.992 6.497 11.096 1.00 0.00 N ATOM 0 H LYS A 83 2.656 6.070 5.000 1.00 0.00 H new ATOM 0 HA LYS A 83 0.497 7.804 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.136 7.091 7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.623 8.763 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.334 7.618 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.426 6.319 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.818 9.220 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.016 8.017 10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.776 7.443 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.601 8.498 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.933 6.209 11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.390 6.736 11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.560 5.714 10.564 1.00 0.00 H new ATOM 1132 N PHE A 84 1.248 9.526 4.437 1.00 0.00 N ATOM 1133 CA PHE A 84 1.654 10.568 3.501 1.00 0.00 C ATOM 1134 C PHE A 84 1.939 11.876 4.234 1.00 0.00 C ATOM 1135 O PHE A 84 1.020 12.576 4.656 1.00 0.00 O ATOM 1136 CB PHE A 84 0.568 10.787 2.447 1.00 0.00 C ATOM 1137 CG PHE A 84 0.851 11.937 1.523 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.761 11.802 0.487 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.209 13.154 1.692 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.025 12.859 -0.364 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.469 14.214 0.844 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.377 14.066 -0.186 1.00 0.00 C ATOM 0 H PHE A 84 0.255 9.532 4.670 1.00 0.00 H new ATOM 0 HA PHE A 84 2.569 10.242 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.457 9.877 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.384 10.960 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.270 10.860 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.502 13.275 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.737 12.741 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.037 15.157 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.580 14.892 -0.851 1.00 0.00 H new ATOM 1152 N ASN A 85 3.221 12.198 4.380 1.00 0.00 N ATOM 1153 CA ASN A 85 3.629 13.421 5.062 1.00 0.00 C ATOM 1154 C ASN A 85 3.231 13.382 6.534 1.00 0.00 C ATOM 1155 O ASN A 85 2.775 14.381 7.092 1.00 0.00 O ATOM 1156 CB ASN A 85 3.000 14.641 4.385 1.00 0.00 C ATOM 1157 CG ASN A 85 3.374 14.745 2.919 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.504 13.735 2.227 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.550 15.971 2.438 1.00 0.00 N ATOM 0 H ASN A 85 3.994 11.629 4.035 1.00 0.00 H new ATOM 0 HA ASN A 85 4.715 13.497 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.915 14.586 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.318 15.545 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.803 16.103 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.432 16.780 3.048 1.00 0.00 H new ATOM 1166 N ASP A 86 3.406 12.222 7.158 1.00 0.00 N ATOM 1167 CA ASP A 86 3.066 12.052 8.565 1.00 0.00 C ATOM 1168 C ASP A 86 1.557 12.120 8.773 1.00 0.00 C ATOM 1169 O ASP A 86 1.079 12.716 9.737 1.00 0.00 O ATOM 1170 CB ASP A 86 3.758 13.123 9.412 1.00 0.00 C ATOM 1171 CG ASP A 86 5.243 13.218 9.123 1.00 0.00 C ATOM 1172 OD1 ASP A 86 5.913 12.165 9.101 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.736 14.348 8.918 1.00 0.00 O ATOM 0 H ASP A 86 3.781 11.386 6.711 1.00 0.00 H new ATOM 0 HA ASP A 86 3.414 11.068 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.291 14.090 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.610 12.899 10.468 1.00 0.00 H new ATOM 1178 N GLU A 87 0.812 11.503 7.861 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.645 11.495 7.943 1.00 0.00 C ATOM 1180 C GLU A 87 -1.207 10.147 7.502 1.00 0.00 C ATOM 1181 O GLU A 87 -0.767 9.575 6.505 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.233 12.614 7.080 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.353 13.943 7.805 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.182 14.954 7.036 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.421 14.945 7.192 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.592 15.754 6.281 1.00 0.00 O ATOM 0 H GLU A 87 1.192 11.003 7.058 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.926 11.663 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.608 12.747 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.220 12.311 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.803 13.779 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.357 14.351 7.976 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.184 9.646 8.252 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.808 8.365 7.939 1.00 0.00 C ATOM 1195 C HIS A 88 -3.987 8.553 6.990 1.00 0.00 C ATOM 1196 O HIS A 88 -5.099 8.861 7.423 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.273 7.674 9.221 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.257 6.738 9.801 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.246 6.959 10.673 1.00 0.00 N flip ATOM 1200 CD2 HIS A 88 -2.208 5.395 9.491 1.00 0.00 C flip ATOM 1201 CE1 HIS A 88 -0.612 5.758 10.874 1.00 0.00 C flip ATOM 1202 NE2 HIS A 88 -1.211 4.830 10.150 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.560 10.107 9.080 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.066 7.737 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.521 8.433 9.963 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.188 7.120 9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.879 4.885 8.816 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.239 5.598 11.520 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.949 3.845 10.107 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.738 8.366 5.699 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.780 8.515 4.691 1.00 0.00 C ATOM 1212 C ILE A 89 -6.006 7.678 5.040 1.00 0.00 C ATOM 1213 O ILE A 89 -5.930 6.700 5.784 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.274 8.107 3.294 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.389 6.864 3.393 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.516 9.256 2.648 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.073 6.239 2.051 1.00 0.00 C ATOM 0 H ILE A 89 -2.824 8.111 5.326 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.056 9.569 4.675 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.133 7.869 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.456 7.131 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.884 6.124 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.165 8.952 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.177 10.117 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.662 9.524 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.442 5.362 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.000 5.941 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.549 6.963 1.427 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.166 8.070 4.491 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.431 7.369 4.728 1.00 0.00 C ATOM 1231 C PRO A 90 -8.466 5.996 4.064 1.00 0.00 C ATOM 1232 O PRO A 90 -9.482 5.303 4.107 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.474 8.295 4.098 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.725 9.056 3.059 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.330 9.227 3.595 1.00 0.00 C ATOM 0 HA PRO A 90 -8.598 7.176 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.294 7.727 3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.911 8.963 4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.716 8.517 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.192 10.023 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.589 9.225 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.218 10.170 4.131 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.351 5.612 3.451 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.256 4.322 2.777 1.00 0.00 C ATOM 1245 C GLU A 91 -6.251 3.414 3.479 1.00 0.00 C ATOM 1246 O GLU A 91 -6.184 2.216 3.207 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.851 4.514 1.315 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.918 5.193 0.471 1.00 0.00 C ATOM 1249 CD GLU A 91 -9.137 4.317 0.257 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.960 3.110 -0.016 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -10.268 4.837 0.361 1.00 0.00 O ATOM 0 H GLU A 91 -6.502 6.175 3.407 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.237 3.848 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.937 5.106 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.620 3.542 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.223 6.121 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.494 5.462 -0.496 1.00 0.00 H new ATOM 1258 N SER A 92 -5.471 3.994 4.386 1.00 0.00 N ATOM 1259 CA SER A 92 -4.466 3.239 5.126 1.00 0.00 C ATOM 1260 C SER A 92 -4.789 3.220 6.616 1.00 0.00 C ATOM 1261 O SER A 92 -5.464 4.104 7.142 1.00 0.00 O ATOM 1262 CB SER A 92 -3.078 3.842 4.900 1.00 0.00 C ATOM 1263 OG SER A 92 -2.776 4.811 5.889 1.00 0.00 O ATOM 0 H SER A 92 -5.516 4.984 4.626 1.00 0.00 H new ATOM 0 HA SER A 92 -4.473 2.213 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.327 3.052 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.033 4.300 3.912 1.00 0.00 H new ATOM 0 HG SER A 92 -1.805 4.863 6.011 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.293 2.188 7.315 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.488 1.129 6.699 1.00 0.00 C ATOM 1271 C PRO A 93 -4.310 0.237 5.775 1.00 0.00 C ATOM 1272 O PRO A 93 -5.540 0.293 5.777 1.00 0.00 O ATOM 1273 CB PRO A 93 -2.976 0.328 7.899 1.00 0.00 C ATOM 1274 CG PRO A 93 -3.980 0.572 8.972 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.483 1.973 8.759 1.00 0.00 C ATOM 0 HA PRO A 93 -2.695 1.535 6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.899 -0.733 7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.983 0.660 8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.796 -0.148 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.530 0.465 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.530 2.072 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.921 2.696 9.350 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.624 -0.585 4.989 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.292 -1.488 4.059 1.00 0.00 C ATOM 1285 C TYR A 94 -4.192 -2.933 4.536 1.00 0.00 C ATOM 1286 O TYR A 94 -3.223 -3.318 5.190 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.683 -1.357 2.661 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.886 0.006 2.038 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.053 1.070 2.360 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.910 0.228 1.125 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.235 2.317 1.793 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -5.099 1.471 0.552 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.260 2.512 0.889 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.443 3.752 0.321 1.00 0.00 O ATOM 0 H TYR A 94 -2.606 -0.645 4.977 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.345 -1.211 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.615 -1.566 2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.121 -2.114 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.249 0.920 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.569 -0.585 0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.579 3.134 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.900 1.626 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.826 3.648 -0.575 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.201 -3.730 4.202 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.229 -5.135 4.596 1.00 0.00 C ATOM 1306 C LEU A 95 -5.287 -6.042 3.370 1.00 0.00 C ATOM 1307 O LEU A 95 -6.313 -6.126 2.695 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.430 -5.407 5.503 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.417 -6.741 6.251 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.305 -6.760 7.289 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.765 -6.998 6.906 1.00 0.00 C ATOM 0 H LEU A 95 -6.010 -3.428 3.660 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.312 -5.352 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.496 -4.603 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.335 -5.362 4.897 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.228 -7.538 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.311 -7.717 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.343 -6.623 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.463 -5.954 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.737 -7.951 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.984 -6.198 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.541 -7.029 6.141 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.179 -6.721 3.090 1.00 0.00 N ATOM 1324 CA VAL A 96 -4.106 -7.625 1.949 1.00 0.00 C ATOM 1325 C VAL A 96 -3.979 -9.075 2.403 1.00 0.00 C ATOM 1326 O VAL A 96 -2.969 -9.487 2.973 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.914 -7.279 1.035 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -3.093 -7.909 -0.338 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.751 -5.772 0.922 1.00 0.00 C ATOM 0 H VAL A 96 -3.320 -6.662 3.637 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.033 -7.503 1.389 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.007 -7.688 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.242 -7.654 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.157 -8.992 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.009 -7.533 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.905 -5.545 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.658 -5.339 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.573 -5.350 1.911 1.00 0.00 H new ATOM 1339 N PRO A 97 -5.029 -9.869 2.145 1.00 0.00 N ATOM 1340 CA PRO A 97 -5.059 -11.287 2.518 1.00 0.00 C ATOM 1341 C PRO A 97 -4.096 -12.126 1.687 1.00 0.00 C ATOM 1342 O PRO A 97 -4.446 -12.607 0.609 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.507 -11.697 2.235 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.973 -10.742 1.190 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.266 -9.444 1.468 1.00 0.00 C ATOM 0 HA PRO A 97 -4.751 -11.443 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.566 -12.727 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.120 -11.631 3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.735 -11.110 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.055 -10.614 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.054 -8.897 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.865 -8.787 2.099 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.880 -12.299 2.195 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.865 -13.082 1.500 1.00 0.00 C ATOM 1355 C VAL A 98 -2.095 -14.576 1.694 1.00 0.00 C ATOM 1356 O VAL A 98 -2.346 -15.035 2.809 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.448 -12.723 1.986 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.593 -13.569 1.268 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.174 -11.241 1.784 1.00 0.00 C ATOM 0 H VAL A 98 -2.574 -11.907 3.086 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.949 -12.840 0.441 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.384 -12.938 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.588 -13.301 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.407 -14.624 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.531 -13.389 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.832 -11.006 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.257 -10.997 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.900 -10.656 2.349 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.007 -15.330 0.603 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.205 -16.773 0.655 1.00 0.00 C ATOM 1371 C ILE A 99 -1.111 -17.505 -0.116 1.00 0.00 C ATOM 1372 O ILE A 99 -0.500 -16.947 -1.026 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.577 -17.175 0.084 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.698 -16.726 -1.374 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.696 -16.574 0.923 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.718 -17.515 -2.166 1.00 0.00 C ATOM 0 H ILE A 99 -1.800 -14.966 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.161 -17.060 1.706 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.665 -18.261 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.968 -15.670 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.725 -16.818 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.660 -16.867 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.618 -16.937 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.613 -15.487 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.751 -17.143 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.439 -18.569 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.701 -17.403 -1.708 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.872 -18.759 0.254 1.00 0.00 N ATOM 1389 CA ALA A 100 0.145 -19.569 -0.406 1.00 0.00 C ATOM 1390 C ALA A 100 -0.382 -20.152 -1.713 1.00 0.00 C ATOM 1391 O ALA A 100 -1.317 -20.952 -1.732 1.00 0.00 O ATOM 1392 CB ALA A 100 0.615 -20.682 0.520 1.00 0.00 C ATOM 0 H ALA A 100 -1.368 -19.236 1.007 1.00 0.00 H new ATOM 0 HA ALA A 100 0.992 -18.925 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.374 -21.279 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.038 -20.247 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.231 -21.317 0.783 1.00 0.00 H new ATOM 1398 N PRO A 101 0.232 -19.743 -2.834 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.158 -20.212 -4.166 1.00 0.00 C ATOM 1400 C PRO A 101 0.197 -21.677 -4.391 1.00 0.00 C ATOM 1401 O PRO A 101 1.345 -22.083 -4.211 1.00 0.00 O ATOM 1402 CB PRO A 101 0.650 -19.316 -5.108 1.00 0.00 C ATOM 1403 CG PRO A 101 1.832 -18.892 -4.307 1.00 0.00 C ATOM 1404 CD PRO A 101 1.354 -18.790 -2.885 1.00 0.00 C ATOM 0 HA PRO A 101 -1.236 -20.154 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.953 -19.856 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.065 -18.457 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.643 -19.615 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.219 -17.935 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.139 -19.055 -2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.033 -17.777 -2.640 1.00 0.00 H new