USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=13 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= -0.0315 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -121:sc= 0.214 (180deg=-0.0618) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -1.04 X(o=0.33,f=0.58) USER MOD Set 1.4: A 92 SER OG : rot 146:sc= 1.19 USER MOD Single : A 12 HIS : no HD1:sc= -2.99 K(o=-3,f=-3.5!) 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 180:sc= 0 USER MOD Single : A 52 SER OG : rot 106:sc= -0.308! 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 -52:sc= -0.242 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -1.25 F(o=-2.4!,f=-1.3) USER MOD Single : A 77 ASN : amide:sc= -1.47! C(o=-1.5!,f=-5.1!) USER MOD Single : A 78 TYR OH : rot -13:sc= 1.11 USER MOD Single : A 85 ASN : amide:sc= -2.68 K(o=-2.7,f=-9!) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0598 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -4.327 17.402 0.960 1.00 0.00 N ATOM 89 CA GLY A 10 -3.416 16.714 1.854 1.00 0.00 C ATOM 90 C GLY A 10 -3.447 15.210 1.670 1.00 0.00 C ATOM 91 O GLY A 10 -3.472 14.716 0.544 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.402 17.077 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.672 16.956 2.885 1.00 0.00 H new ATOM 95 N ALA A 11 -3.446 14.478 2.780 1.00 0.00 N ATOM 96 CA ALA A 11 -3.475 13.022 2.736 1.00 0.00 C ATOM 97 C ALA A 11 -4.767 12.518 2.102 1.00 0.00 C ATOM 98 O ALA A 11 -4.745 11.862 1.060 1.00 0.00 O ATOM 99 CB ALA A 11 -3.313 12.447 4.135 1.00 0.00 C ATOM 0 H ALA A 11 -3.425 14.871 3.721 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.642 12.686 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.337 11.358 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.360 12.771 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.126 12.799 4.770 1.00 0.00 H new ATOM 105 N HIS A 12 -5.893 12.827 2.738 1.00 0.00 N ATOM 106 CA HIS A 12 -7.196 12.405 2.237 1.00 0.00 C ATOM 107 C HIS A 12 -7.251 12.510 0.716 1.00 0.00 C ATOM 108 O HIS A 12 -8.002 11.787 0.060 1.00 0.00 O ATOM 109 CB HIS A 12 -8.305 13.252 2.859 1.00 0.00 C ATOM 110 CG HIS A 12 -8.224 14.703 2.496 1.00 0.00 C ATOM 111 ND1 HIS A 12 -7.071 15.447 2.620 1.00 0.00 N ATOM 112 CD2 HIS A 12 -9.164 15.548 2.010 1.00 0.00 C ATOM 113 CE1 HIS A 12 -7.303 16.687 2.226 1.00 0.00 C ATOM 114 NE2 HIS A 12 -8.567 16.774 1.851 1.00 0.00 N ATOM 0 H HIS A 12 -5.929 13.368 3.602 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.346 11.363 2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.272 12.860 2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.261 13.154 3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.192 15.303 1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.583 17.492 2.213 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.025 17.615 1.500 1.00 0.00 H new ATOM 122 N LYS A 13 -6.453 13.415 0.160 1.00 0.00 N ATOM 123 CA LYS A 13 -6.410 13.615 -1.283 1.00 0.00 C ATOM 124 C LYS A 13 -5.348 12.727 -1.925 1.00 0.00 C ATOM 125 O LYS A 13 -4.716 13.110 -2.910 1.00 0.00 O ATOM 126 CB LYS A 13 -6.126 15.083 -1.608 1.00 0.00 C ATOM 127 CG LYS A 13 -7.152 16.042 -1.030 1.00 0.00 C ATOM 128 CD LYS A 13 -8.364 16.174 -1.936 1.00 0.00 C ATOM 129 CE LYS A 13 -9.424 15.135 -1.604 1.00 0.00 C ATOM 130 NZ LYS A 13 -10.773 15.545 -2.084 1.00 0.00 N ATOM 0 H LYS A 13 -5.826 14.022 0.688 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.383 13.341 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.139 15.347 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.094 15.207 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.467 15.690 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.696 17.021 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.788 17.173 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.056 16.062 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.152 14.181 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.454 14.979 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.467 14.810 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.044 16.442 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.751 15.669 -3.116 1.00 0.00 H new ATOM 144 N VAL A 14 -5.156 11.539 -1.361 1.00 0.00 N ATOM 145 CA VAL A 14 -4.172 10.596 -1.879 1.00 0.00 C ATOM 146 C VAL A 14 -4.768 9.200 -2.015 1.00 0.00 C ATOM 147 O VAL A 14 -5.025 8.523 -1.020 1.00 0.00 O ATOM 148 CB VAL A 14 -2.930 10.526 -0.972 1.00 0.00 C ATOM 149 CG1 VAL A 14 -2.011 9.396 -1.410 1.00 0.00 C ATOM 150 CG2 VAL A 14 -2.192 11.856 -0.975 1.00 0.00 C ATOM 0 H VAL A 14 -5.669 11.207 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.874 10.958 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.258 10.321 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.139 9.362 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.546 8.448 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.689 9.566 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.317 11.788 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.875 12.094 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.854 12.640 -0.608 1.00 0.00 H new ATOM 160 N ARG A 15 -4.986 8.773 -3.255 1.00 0.00 N ATOM 161 CA ARG A 15 -5.553 7.458 -3.523 1.00 0.00 C ATOM 162 C ARG A 15 -4.490 6.508 -4.068 1.00 0.00 C ATOM 163 O ARG A 15 -3.837 6.800 -5.069 1.00 0.00 O ATOM 164 CB ARG A 15 -6.710 7.569 -4.518 1.00 0.00 C ATOM 165 CG ARG A 15 -7.646 6.372 -4.499 1.00 0.00 C ATOM 166 CD ARG A 15 -8.491 6.343 -3.235 1.00 0.00 C ATOM 167 NE ARG A 15 -9.706 7.143 -3.371 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.732 6.794 -4.139 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.690 5.668 -4.837 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.803 7.575 -4.210 1.00 0.00 N ATOM 0 H ARG A 15 -4.778 9.320 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.929 7.055 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.282 8.470 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.304 7.686 -5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.297 6.405 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.064 5.453 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.759 5.313 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.903 6.717 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.770 8.016 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.868 5.066 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.480 5.403 -5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.838 8.443 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.591 7.307 -4.800 1.00 0.00 H new ATOM 184 N ALA A 16 -4.321 5.371 -3.400 1.00 0.00 N ATOM 185 CA ALA A 16 -3.338 4.379 -3.819 1.00 0.00 C ATOM 186 C ALA A 16 -4.016 3.082 -4.247 1.00 0.00 C ATOM 187 O ALA A 16 -4.868 2.551 -3.537 1.00 0.00 O ATOM 188 CB ALA A 16 -2.346 4.112 -2.695 1.00 0.00 C ATOM 0 H ALA A 16 -4.851 5.114 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.799 4.778 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.618 3.370 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.830 5.037 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.879 3.738 -1.821 1.00 0.00 H new ATOM 222 N GLY A 20 -1.823 -5.290 -6.660 1.00 0.00 N ATOM 223 CA GLY A 20 -0.958 -5.693 -5.567 1.00 0.00 C ATOM 224 C GLY A 20 -1.620 -5.525 -4.213 1.00 0.00 C ATOM 225 O GLY A 20 -1.293 -6.237 -3.262 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.670 -6.736 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.042 -5.103 -5.596 1.00 0.00 H new ATOM 229 N LEU A 21 -2.550 -4.582 -4.124 1.00 0.00 N ATOM 230 CA LEU A 21 -3.259 -4.322 -2.875 1.00 0.00 C ATOM 231 C LEU A 21 -4.552 -5.128 -2.806 1.00 0.00 C ATOM 232 O LEU A 21 -5.138 -5.286 -1.734 1.00 0.00 O ATOM 233 CB LEU A 21 -3.567 -2.830 -2.742 1.00 0.00 C ATOM 234 CG LEU A 21 -2.361 -1.912 -2.544 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.747 -0.462 -2.794 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.789 -2.078 -1.144 1.00 0.00 C ATOM 0 H LEU A 21 -2.831 -3.984 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.616 -4.629 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.101 -2.508 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.245 -2.693 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.593 -2.192 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.876 0.177 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.110 -0.353 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.532 -0.169 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.931 -1.417 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.551 -1.825 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.474 -3.112 -1.000 1.00 0.00 H new ATOM 248 N GLU A 22 -4.990 -5.637 -3.953 1.00 0.00 N ATOM 249 CA GLU A 22 -6.213 -6.427 -4.020 1.00 0.00 C ATOM 250 C GLU A 22 -6.019 -7.787 -3.356 1.00 0.00 C ATOM 251 O GLU A 22 -6.905 -8.282 -2.659 1.00 0.00 O ATOM 252 CB GLU A 22 -6.646 -6.615 -5.476 1.00 0.00 C ATOM 253 CG GLU A 22 -5.610 -7.321 -6.334 1.00 0.00 C ATOM 254 CD GLU A 22 -6.135 -7.677 -7.710 1.00 0.00 C ATOM 255 OE1 GLU A 22 -6.900 -8.658 -7.819 1.00 0.00 O ATOM 256 OE2 GLU A 22 -5.782 -6.972 -8.680 1.00 0.00 O ATOM 0 H GLU A 22 -4.516 -5.516 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.993 -5.888 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.574 -7.186 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.861 -5.639 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.734 -6.681 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.283 -8.229 -5.828 1.00 0.00 H new ATOM 263 N ARG A 23 -4.854 -8.387 -3.580 1.00 0.00 N ATOM 264 CA ARG A 23 -4.544 -9.691 -3.005 1.00 0.00 C ATOM 265 C ARG A 23 -3.098 -10.082 -3.297 1.00 0.00 C ATOM 266 O ARG A 23 -2.603 -9.890 -4.406 1.00 0.00 O ATOM 267 CB ARG A 23 -5.493 -10.755 -3.560 1.00 0.00 C ATOM 268 CG ARG A 23 -5.676 -11.948 -2.636 1.00 0.00 C ATOM 269 CD ARG A 23 -6.073 -13.196 -3.409 1.00 0.00 C ATOM 270 NE ARG A 23 -6.767 -14.165 -2.565 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.012 -14.002 -2.129 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.695 -12.915 -2.457 1.00 0.00 N ATOM 273 NH2 ARG A 23 -8.575 -14.930 -1.365 1.00 0.00 N ATOM 0 H ARG A 23 -4.110 -7.991 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.675 -9.625 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.465 -10.300 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.113 -11.104 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.749 -12.134 -2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.440 -11.720 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.716 -12.916 -4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.182 -13.658 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.269 -15.013 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.266 -12.201 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.650 -12.792 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.052 -15.769 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.530 -14.805 -1.031 1.00 0.00 H new ATOM 287 N GLY A 24 -2.425 -10.632 -2.289 1.00 0.00 N ATOM 288 CA GLY A 24 -1.043 -11.042 -2.456 1.00 0.00 C ATOM 289 C GLY A 24 -0.864 -12.542 -2.336 1.00 0.00 C ATOM 290 O GLY A 24 -1.804 -13.260 -1.999 1.00 0.00 O ATOM 0 H GLY A 24 -2.813 -10.800 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.685 -10.714 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.427 -10.545 -1.707 1.00 0.00 H new ATOM 294 N GLU A 25 0.348 -13.016 -2.612 1.00 0.00 N ATOM 295 CA GLU A 25 0.645 -14.441 -2.535 1.00 0.00 C ATOM 296 C GLU A 25 1.950 -14.684 -1.782 1.00 0.00 C ATOM 297 O GLU A 25 2.935 -13.973 -1.979 1.00 0.00 O ATOM 298 CB GLU A 25 0.735 -15.043 -3.938 1.00 0.00 C ATOM 299 CG GLU A 25 -0.613 -15.443 -4.516 1.00 0.00 C ATOM 300 CD GLU A 25 -1.364 -14.268 -5.112 1.00 0.00 C ATOM 301 OE1 GLU A 25 -1.051 -13.884 -6.259 1.00 0.00 O ATOM 302 OE2 GLU A 25 -2.263 -13.731 -4.432 1.00 0.00 O ATOM 0 H GLU A 25 1.138 -12.434 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.166 -14.926 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.207 -14.321 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.382 -15.919 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.464 -16.202 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.220 -15.898 -3.733 1.00 0.00 H new ATOM 309 N ALA A 26 1.948 -15.694 -0.917 1.00 0.00 N ATOM 310 CA ALA A 26 3.131 -16.032 -0.135 1.00 0.00 C ATOM 311 C ALA A 26 4.267 -16.505 -1.035 1.00 0.00 C ATOM 312 O ALA A 26 4.144 -17.512 -1.730 1.00 0.00 O ATOM 313 CB ALA A 26 2.794 -17.099 0.896 1.00 0.00 C ATOM 0 H ALA A 26 1.141 -16.292 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 26 3.463 -15.132 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.686 -17.342 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.019 -16.726 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.435 -17.994 0.389 1.00 0.00 H new ATOM 319 N GLY A 27 5.375 -15.768 -1.019 1.00 0.00 N ATOM 320 CA GLY A 27 6.516 -16.128 -1.838 1.00 0.00 C ATOM 321 C GLY A 27 6.558 -15.360 -3.145 1.00 0.00 C ATOM 322 O GLY A 27 7.535 -15.439 -3.889 1.00 0.00 O ATOM 0 H GLY A 27 5.501 -14.929 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.433 -15.940 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.485 -17.197 -2.049 1.00 0.00 H new ATOM 326 N VAL A 28 5.493 -14.616 -3.425 1.00 0.00 N ATOM 327 CA VAL A 28 5.410 -13.832 -4.651 1.00 0.00 C ATOM 328 C VAL A 28 5.509 -12.339 -4.357 1.00 0.00 C ATOM 329 O VAL A 28 4.827 -11.807 -3.482 1.00 0.00 O ATOM 330 CB VAL A 28 4.097 -14.108 -5.407 1.00 0.00 C ATOM 331 CG1 VAL A 28 3.998 -13.231 -6.646 1.00 0.00 C ATOM 332 CG2 VAL A 28 3.994 -15.579 -5.777 1.00 0.00 C ATOM 0 H VAL A 28 4.676 -14.540 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 28 6.251 -14.133 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 28 3.263 -13.862 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.064 -13.441 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.022 -12.182 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.838 -13.441 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.060 -15.755 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.834 -15.853 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.014 -16.184 -4.871 1.00 0.00 H new ATOM 342 N PRO A 29 6.382 -11.645 -5.104 1.00 0.00 N ATOM 343 CA PRO A 29 6.591 -10.204 -4.942 1.00 0.00 C ATOM 344 C PRO A 29 5.391 -9.387 -5.408 1.00 0.00 C ATOM 345 O PRO A 29 4.991 -9.463 -6.570 1.00 0.00 O ATOM 346 CB PRO A 29 7.808 -9.921 -5.827 1.00 0.00 C ATOM 347 CG PRO A 29 7.790 -11.001 -6.852 1.00 0.00 C ATOM 348 CD PRO A 29 7.229 -12.216 -6.164 1.00 0.00 C ATOM 0 HA PRO A 29 6.733 -9.928 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.741 -8.936 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.731 -9.940 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.175 -10.718 -7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.793 -11.196 -7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.652 -12.836 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.018 -12.846 -5.753 1.00 0.00 H new ATOM 356 N ALA A 30 4.822 -8.606 -4.497 1.00 0.00 N ATOM 357 CA ALA A 30 3.669 -7.774 -4.816 1.00 0.00 C ATOM 358 C ALA A 30 4.082 -6.322 -5.029 1.00 0.00 C ATOM 359 O ALA A 30 4.311 -5.586 -4.070 1.00 0.00 O ATOM 360 CB ALA A 30 2.625 -7.871 -3.714 1.00 0.00 C ATOM 0 H ALA A 30 5.141 -8.532 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 30 3.234 -8.141 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.770 -7.244 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.299 -8.906 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.057 -7.533 -2.772 1.00 0.00 H new ATOM 366 N GLU A 31 4.176 -5.917 -6.292 1.00 0.00 N ATOM 367 CA GLU A 31 4.566 -4.553 -6.630 1.00 0.00 C ATOM 368 C GLU A 31 3.337 -3.687 -6.893 1.00 0.00 C ATOM 369 O GLU A 31 2.323 -4.166 -7.400 1.00 0.00 O ATOM 370 CB GLU A 31 5.479 -4.547 -7.856 1.00 0.00 C ATOM 371 CG GLU A 31 6.543 -5.632 -7.828 1.00 0.00 C ATOM 372 CD GLU A 31 7.197 -5.842 -9.180 1.00 0.00 C ATOM 373 OE1 GLU A 31 7.534 -4.836 -9.838 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.373 -7.012 -9.579 1.00 0.00 O ATOM 0 H GLU A 31 3.987 -6.514 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 31 5.109 -4.137 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.871 -4.669 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.966 -3.575 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.307 -5.368 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.094 -6.568 -7.497 1.00 0.00 H new ATOM 381 N PHE A 32 3.435 -2.409 -6.544 1.00 0.00 N ATOM 382 CA PHE A 32 2.332 -1.475 -6.741 1.00 0.00 C ATOM 383 C PHE A 32 2.843 -0.041 -6.838 1.00 0.00 C ATOM 384 O PHE A 32 3.737 0.363 -6.093 1.00 0.00 O ATOM 385 CB PHE A 32 1.325 -1.593 -5.594 1.00 0.00 C ATOM 386 CG PHE A 32 1.852 -1.089 -4.281 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.875 0.269 -4.004 1.00 0.00 C ATOM 388 CD2 PHE A 32 2.324 -1.972 -3.324 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.359 0.735 -2.795 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.808 -1.512 -2.115 1.00 0.00 C ATOM 391 CZ PHE A 32 2.826 -0.156 -1.850 1.00 0.00 C ATOM 0 H PHE A 32 4.267 -1.996 -6.123 1.00 0.00 H new ATOM 0 HA PHE A 32 1.837 -1.729 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.424 -1.036 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.033 -2.637 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.511 0.971 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.313 -3.033 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.371 1.795 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.172 -2.212 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.205 0.206 -0.906 1.00 0.00 H new ATOM 401 N SER A 33 2.271 0.724 -7.762 1.00 0.00 N ATOM 402 CA SER A 33 2.672 2.111 -7.961 1.00 0.00 C ATOM 403 C SER A 33 1.808 3.051 -7.125 1.00 0.00 C ATOM 404 O SER A 33 0.608 2.826 -6.960 1.00 0.00 O ATOM 405 CB SER A 33 2.569 2.487 -9.441 1.00 0.00 C ATOM 406 OG SER A 33 3.640 1.930 -10.184 1.00 0.00 O ATOM 0 H SER A 33 1.528 0.406 -8.385 1.00 0.00 H new ATOM 0 HA SER A 33 3.708 2.214 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.620 2.134 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.575 3.572 -9.545 1.00 0.00 H new ATOM 0 HG SER A 33 3.551 2.183 -11.127 1.00 0.00 H new ATOM 412 N ILE A 34 2.426 4.104 -6.602 1.00 0.00 N ATOM 413 CA ILE A 34 1.714 5.079 -5.785 1.00 0.00 C ATOM 414 C ILE A 34 2.104 6.504 -6.164 1.00 0.00 C ATOM 415 O ILE A 34 3.190 6.973 -5.826 1.00 0.00 O ATOM 416 CB ILE A 34 1.992 4.866 -4.285 1.00 0.00 C ATOM 417 CG1 ILE A 34 3.434 4.403 -4.071 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.014 3.856 -3.703 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.973 4.719 -2.694 1.00 0.00 C ATOM 0 H ILE A 34 3.418 4.304 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 34 0.651 4.933 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 34 1.855 5.815 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.490 3.327 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.073 4.873 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.223 3.716 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.005 4.223 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.122 2.904 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.000 4.362 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.950 5.797 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.358 4.226 -1.941 1.00 0.00 H new ATOM 549 N LEU A 44 6.568 9.431 1.688 1.00 0.00 N ATOM 550 CA LEU A 44 5.692 8.268 1.775 1.00 0.00 C ATOM 551 C LEU A 44 6.329 7.167 2.617 1.00 0.00 C ATOM 552 O LEU A 44 7.392 6.648 2.276 1.00 0.00 O ATOM 553 CB LEU A 44 5.375 7.737 0.375 1.00 0.00 C ATOM 554 CG LEU A 44 4.387 8.564 -0.448 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.677 8.417 -1.934 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.956 8.148 -0.140 1.00 0.00 C ATOM 0 HA LEU A 44 4.765 8.578 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.308 7.661 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.979 6.726 0.473 1.00 0.00 H new ATOM 0 HG LEU A 44 4.506 9.613 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.964 9.012 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.689 8.764 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.586 7.369 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.267 8.747 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.823 7.094 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.752 8.304 0.919 1.00 0.00 H new ATOM 568 N SER A 45 5.672 6.815 3.716 1.00 0.00 N ATOM 569 CA SER A 45 6.175 5.776 4.608 1.00 0.00 C ATOM 570 C SER A 45 5.348 4.500 4.477 1.00 0.00 C ATOM 571 O SER A 45 4.119 4.545 4.448 1.00 0.00 O ATOM 572 CB SER A 45 6.153 6.265 6.058 1.00 0.00 C ATOM 573 OG SER A 45 6.721 5.302 6.929 1.00 0.00 O ATOM 0 H SER A 45 4.790 7.233 4.011 1.00 0.00 H new ATOM 0 HA SER A 45 7.203 5.553 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.704 7.202 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.126 6.472 6.360 1.00 0.00 H new ATOM 0 HG SER A 45 6.697 5.639 7.849 1.00 0.00 H new ATOM 579 N ILE A 46 6.034 3.364 4.397 1.00 0.00 N ATOM 580 CA ILE A 46 5.365 2.076 4.270 1.00 0.00 C ATOM 581 C ILE A 46 5.898 1.077 5.292 1.00 0.00 C ATOM 582 O ILE A 46 7.105 0.978 5.507 1.00 0.00 O ATOM 583 CB ILE A 46 5.537 1.489 2.857 1.00 0.00 C ATOM 584 CG1 ILE A 46 5.046 2.486 1.804 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.789 0.171 2.736 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.694 2.302 0.450 1.00 0.00 C ATOM 0 H ILE A 46 7.052 3.310 4.418 1.00 0.00 H new ATOM 0 HA ILE A 46 4.305 2.251 4.455 1.00 0.00 H new ATOM 0 HB ILE A 46 6.596 1.299 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.966 2.387 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.240 3.499 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.920 -0.231 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.181 -0.538 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.728 0.336 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.299 3.042 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.772 2.430 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.478 1.301 0.076 1.00 0.00 H new ATOM 598 N ALA A 47 4.989 0.336 5.916 1.00 0.00 N ATOM 599 CA ALA A 47 5.366 -0.658 6.912 1.00 0.00 C ATOM 600 C ALA A 47 4.473 -1.890 6.826 1.00 0.00 C ATOM 601 O ALA A 47 3.292 -1.839 7.174 1.00 0.00 O ATOM 602 CB ALA A 47 5.306 -0.057 8.309 1.00 0.00 C ATOM 0 H ALA A 47 3.985 0.406 5.749 1.00 0.00 H new ATOM 0 HA ALA A 47 6.390 -0.969 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.590 -0.812 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.993 0.787 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.292 0.285 8.515 1.00 0.00 H new ATOM 608 N VAL A 48 5.040 -2.998 6.358 1.00 0.00 N ATOM 609 CA VAL A 48 4.294 -4.243 6.226 1.00 0.00 C ATOM 610 C VAL A 48 4.400 -5.085 7.492 1.00 0.00 C ATOM 611 O VAL A 48 5.467 -5.602 7.818 1.00 0.00 O ATOM 612 CB VAL A 48 4.794 -5.073 5.029 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.953 -6.329 4.860 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.778 -4.236 3.757 1.00 0.00 C ATOM 0 H VAL A 48 6.015 -3.058 6.064 1.00 0.00 H new ATOM 0 HA VAL A 48 3.252 -3.970 6.060 1.00 0.00 H new ATOM 0 HB VAL A 48 5.822 -5.377 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.322 -6.902 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.020 -6.936 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.914 -6.050 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.134 -4.838 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.761 -3.900 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.427 -3.370 3.883 1.00 0.00 H new ATOM 624 N GLU A 49 3.285 -5.216 8.203 1.00 0.00 N ATOM 625 CA GLU A 49 3.252 -5.996 9.436 1.00 0.00 C ATOM 626 C GLU A 49 2.222 -7.117 9.344 1.00 0.00 C ATOM 627 O GLU A 49 1.076 -6.891 8.956 1.00 0.00 O ATOM 628 CB GLU A 49 2.935 -5.091 10.628 1.00 0.00 C ATOM 629 CG GLU A 49 4.033 -4.091 10.944 1.00 0.00 C ATOM 630 CD GLU A 49 3.660 -3.152 12.074 1.00 0.00 C ATOM 631 OE1 GLU A 49 3.211 -3.643 13.131 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.817 -1.924 11.901 1.00 0.00 O ATOM 0 H GLU A 49 2.393 -4.793 7.947 1.00 0.00 H new ATOM 0 HA GLU A 49 4.236 -6.443 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.010 -4.550 10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.757 -5.711 11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.943 -4.629 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.256 -3.508 10.051 1.00 0.00 H new ATOM 639 N GLY A 50 2.638 -8.327 9.703 1.00 0.00 N ATOM 640 CA GLY A 50 1.740 -9.466 9.654 1.00 0.00 C ATOM 641 C GLY A 50 2.190 -10.598 10.556 1.00 0.00 C ATOM 642 O GLY A 50 2.951 -10.401 11.503 1.00 0.00 O ATOM 0 H GLY A 50 3.582 -8.539 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.739 -9.148 9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.673 -9.828 8.628 1.00 0.00 H new ATOM 646 N PRO A 51 1.711 -11.817 10.266 1.00 0.00 N ATOM 647 CA PRO A 51 2.054 -13.009 11.047 1.00 0.00 C ATOM 648 C PRO A 51 3.508 -13.427 10.858 1.00 0.00 C ATOM 649 O PRO A 51 4.014 -14.289 11.577 1.00 0.00 O ATOM 650 CB PRO A 51 1.113 -14.080 10.492 1.00 0.00 C ATOM 651 CG PRO A 51 0.800 -13.629 9.106 1.00 0.00 C ATOM 652 CD PRO A 51 0.799 -12.126 9.152 1.00 0.00 C ATOM 0 HA PRO A 51 1.944 -12.840 12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.587 -15.061 10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.209 -14.163 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.543 -13.998 8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.168 -14.010 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.150 -11.695 8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.201 -11.730 9.330 1.00 0.00 H new ATOM 660 N SER A 52 4.175 -12.812 9.887 1.00 0.00 N ATOM 661 CA SER A 52 5.570 -13.123 9.601 1.00 0.00 C ATOM 662 C SER A 52 6.266 -11.940 8.937 1.00 0.00 C ATOM 663 O SER A 52 5.616 -11.038 8.408 1.00 0.00 O ATOM 664 CB SER A 52 5.665 -14.356 8.700 1.00 0.00 C ATOM 665 OG SER A 52 6.987 -14.868 8.673 1.00 0.00 O ATOM 0 H SER A 52 3.771 -12.095 9.285 1.00 0.00 H new ATOM 0 HA SER A 52 6.071 -13.332 10.546 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.981 -15.125 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.352 -14.096 7.689 1.00 0.00 H new ATOM 0 HG SER A 52 7.031 -15.687 9.209 1.00 0.00 H new ATOM 671 N LYS A 53 7.595 -11.948 8.971 1.00 0.00 N ATOM 672 CA LYS A 53 8.382 -10.876 8.373 1.00 0.00 C ATOM 673 C LYS A 53 8.117 -10.778 6.873 1.00 0.00 C ATOM 674 O LYS A 53 7.918 -11.790 6.202 1.00 0.00 O ATOM 675 CB LYS A 53 9.873 -11.110 8.624 1.00 0.00 C ATOM 676 CG LYS A 53 10.726 -9.870 8.418 1.00 0.00 C ATOM 677 CD LYS A 53 12.172 -10.116 8.816 1.00 0.00 C ATOM 678 CE LYS A 53 12.944 -8.812 8.949 1.00 0.00 C ATOM 679 NZ LYS A 53 13.384 -8.290 7.625 1.00 0.00 N ATOM 0 H LYS A 53 8.149 -12.685 9.407 1.00 0.00 H new ATOM 0 HA LYS A 53 8.084 -9.937 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.009 -11.469 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.226 -11.898 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.682 -9.567 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.321 -9.047 9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.203 -10.656 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.653 -10.750 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.318 -8.068 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.815 -8.969 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.906 -7.401 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.002 -8.988 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.552 -8.116 7.026 1.00 0.00 H new ATOM 693 N ALA A 54 8.119 -9.555 6.355 1.00 0.00 N ATOM 694 CA ALA A 54 7.882 -9.325 4.936 1.00 0.00 C ATOM 695 C ALA A 54 8.986 -8.468 4.327 1.00 0.00 C ATOM 696 O ALA A 54 9.276 -7.375 4.814 1.00 0.00 O ATOM 697 CB ALA A 54 6.525 -8.670 4.725 1.00 0.00 C ATOM 0 H ALA A 54 8.282 -8.707 6.898 1.00 0.00 H new ATOM 0 HA ALA A 54 7.888 -10.291 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.363 -8.505 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.742 -9.321 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.497 -7.715 5.249 1.00 0.00 H new ATOM 703 N GLU A 55 9.599 -8.970 3.259 1.00 0.00 N ATOM 704 CA GLU A 55 10.673 -8.248 2.585 1.00 0.00 C ATOM 705 C GLU A 55 10.164 -6.931 2.007 1.00 0.00 C ATOM 706 O GLU A 55 9.007 -6.827 1.597 1.00 0.00 O ATOM 707 CB GLU A 55 11.274 -9.108 1.472 1.00 0.00 C ATOM 708 CG GLU A 55 12.635 -8.624 0.996 1.00 0.00 C ATOM 709 CD GLU A 55 13.488 -9.744 0.434 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.355 -10.890 0.911 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.288 -9.474 -0.486 1.00 0.00 O ATOM 0 H GLU A 55 9.371 -9.873 2.842 1.00 0.00 H new ATOM 0 HA GLU A 55 11.446 -8.027 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.367 -10.134 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.587 -9.124 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.498 -7.859 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.161 -8.154 1.827 1.00 0.00 H new ATOM 718 N ILE A 56 11.035 -5.928 1.978 1.00 0.00 N ATOM 719 CA ILE A 56 10.674 -4.619 1.451 1.00 0.00 C ATOM 720 C ILE A 56 11.852 -3.974 0.728 1.00 0.00 C ATOM 721 O ILE A 56 12.964 -3.919 1.254 1.00 0.00 O ATOM 722 CB ILE A 56 10.194 -3.674 2.568 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.979 -4.270 3.283 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.859 -2.304 1.997 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.684 -3.621 4.617 1.00 0.00 C ATOM 0 H ILE A 56 11.996 -5.997 2.313 1.00 0.00 H new ATOM 0 HA ILE A 56 9.859 -4.778 0.745 1.00 0.00 H new ATOM 0 HB ILE A 56 10.999 -3.556 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.105 -4.172 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.145 -5.336 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.521 -1.648 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.746 -1.878 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.069 -2.403 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.811 -4.094 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.542 -3.742 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.486 -2.559 4.469 1.00 0.00 H new ATOM 737 N THR A 57 11.601 -3.486 -0.483 1.00 0.00 N ATOM 738 CA THR A 57 12.639 -2.844 -1.279 1.00 0.00 C ATOM 739 C THR A 57 12.103 -1.606 -1.988 1.00 0.00 C ATOM 740 O THR A 57 11.355 -1.710 -2.960 1.00 0.00 O ATOM 741 CB THR A 57 13.220 -3.811 -2.328 1.00 0.00 C ATOM 742 OG1 THR A 57 13.748 -4.975 -1.683 1.00 0.00 O ATOM 743 CG2 THR A 57 14.316 -3.134 -3.139 1.00 0.00 C ATOM 0 H THR A 57 10.687 -3.523 -0.934 1.00 0.00 H new ATOM 0 HA THR A 57 13.429 -2.549 -0.589 1.00 0.00 H new ATOM 0 HB THR A 57 12.417 -4.104 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.114 -5.585 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.711 -3.836 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.905 -2.265 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.118 -2.816 -2.473 1.00 0.00 H new ATOM 884 N VAL A 68 6.870 0.150 -5.238 1.00 0.00 N ATOM 885 CA VAL A 68 7.292 -0.548 -4.029 1.00 0.00 C ATOM 886 C VAL A 68 7.054 -2.049 -4.151 1.00 0.00 C ATOM 887 O VAL A 68 6.004 -2.486 -4.623 1.00 0.00 O ATOM 888 CB VAL A 68 6.549 -0.021 -2.788 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.130 -0.628 -1.520 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.609 1.498 -2.737 1.00 0.00 C ATOM 0 HA VAL A 68 8.359 -0.360 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 68 5.503 -0.319 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.592 -0.244 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.030 -1.713 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.184 -0.363 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.079 1.854 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.649 1.820 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.142 1.911 -3.631 1.00 0.00 H new ATOM 900 N SER A 69 8.036 -2.836 -3.721 1.00 0.00 N ATOM 901 CA SER A 69 7.936 -4.289 -3.784 1.00 0.00 C ATOM 902 C SER A 69 7.998 -4.899 -2.388 1.00 0.00 C ATOM 903 O SER A 69 8.695 -4.394 -1.508 1.00 0.00 O ATOM 904 CB SER A 69 9.056 -4.861 -4.654 1.00 0.00 C ATOM 905 OG SER A 69 10.323 -4.659 -4.052 1.00 0.00 O ATOM 0 H SER A 69 8.910 -2.491 -3.325 1.00 0.00 H new ATOM 0 HA SER A 69 6.974 -4.543 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.890 -5.927 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.036 -4.387 -5.635 1.00 0.00 H new ATOM 0 HG SER A 69 10.428 -3.712 -3.821 1.00 0.00 H new ATOM 911 N TYR A 70 7.264 -5.989 -2.191 1.00 0.00 N ATOM 912 CA TYR A 70 7.233 -6.667 -0.902 1.00 0.00 C ATOM 913 C TYR A 70 6.817 -8.127 -1.064 1.00 0.00 C ATOM 914 O TYR A 70 5.915 -8.444 -1.839 1.00 0.00 O ATOM 915 CB TYR A 70 6.271 -5.954 0.051 1.00 0.00 C ATOM 916 CG TYR A 70 4.820 -6.310 -0.177 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.315 -7.543 0.220 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.951 -5.414 -0.789 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.990 -7.872 0.014 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.624 -5.735 -0.998 1.00 0.00 C ATOM 921 CZ TYR A 70 2.148 -6.965 -0.595 1.00 0.00 C ATOM 922 OH TYR A 70 0.827 -7.289 -0.803 1.00 0.00 O ATOM 0 H TYR A 70 6.682 -6.421 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 70 8.238 -6.638 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.540 -6.201 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.394 -4.877 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.971 -8.256 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.320 -4.450 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.615 -8.835 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.963 -5.027 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 70 0.372 -6.540 -1.242 1.00 0.00 H new ATOM 932 N ILE A 71 7.482 -9.009 -0.326 1.00 0.00 N ATOM 933 CA ILE A 71 7.182 -10.434 -0.387 1.00 0.00 C ATOM 934 C ILE A 71 6.836 -10.982 0.994 1.00 0.00 C ATOM 935 O ILE A 71 7.539 -10.722 1.971 1.00 0.00 O ATOM 936 CB ILE A 71 8.364 -11.235 -0.961 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.485 -10.996 -2.469 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.194 -12.718 -0.667 1.00 0.00 C ATOM 939 CD1 ILE A 71 9.779 -11.511 -3.060 1.00 0.00 C ATOM 0 H ILE A 71 8.231 -8.762 0.321 1.00 0.00 H new ATOM 0 HA ILE A 71 6.322 -10.547 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 71 9.281 -10.893 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.647 -11.478 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.404 -9.927 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.038 -13.270 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.152 -12.873 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.270 -13.075 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.796 -11.308 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.622 -11.011 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.853 -12.586 -2.893 1.00 0.00 H new ATOM 951 N ALA A 72 5.749 -11.743 1.068 1.00 0.00 N ATOM 952 CA ALA A 72 5.311 -12.330 2.328 1.00 0.00 C ATOM 953 C ALA A 72 5.700 -13.802 2.411 1.00 0.00 C ATOM 954 O ALA A 72 5.013 -14.665 1.865 1.00 0.00 O ATOM 955 CB ALA A 72 3.808 -12.168 2.492 1.00 0.00 C ATOM 0 H ALA A 72 5.155 -11.967 0.270 1.00 0.00 H new ATOM 0 HA ALA A 72 5.811 -11.803 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.495 -12.611 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.554 -11.108 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.296 -12.668 1.670 1.00 0.00 H new ATOM 961 N GLN A 73 6.803 -14.081 3.096 1.00 0.00 N ATOM 962 CA GLN A 73 7.282 -15.450 3.249 1.00 0.00 C ATOM 963 C GLN A 73 6.134 -16.393 3.597 1.00 0.00 C ATOM 964 O GLN A 73 5.896 -17.378 2.902 1.00 0.00 O ATOM 965 CB GLN A 73 8.360 -15.518 4.332 1.00 0.00 C ATOM 966 CG GLN A 73 9.408 -14.422 4.217 1.00 0.00 C ATOM 967 CD GLN A 73 9.743 -14.084 2.778 1.00 0.00 C ATOM 968 OE1 GLN A 73 9.842 -15.107 1.937 1.00 0.00 O flip ATOM 969 NE2 GLN A 73 9.912 -12.916 2.425 1.00 0.00 N flip ATOM 0 H GLN A 73 7.382 -13.378 3.554 1.00 0.00 H new ATOM 0 HA GLN A 73 7.712 -15.766 2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.885 -15.453 5.311 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.854 -16.488 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.048 -13.526 4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.315 -14.736 4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.826 -12.160 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.138 -12.705 1.453 1.00 0.00 H new ATOM 978 N GLU A 74 5.428 -16.082 4.680 1.00 0.00 N ATOM 979 CA GLU A 74 4.307 -16.903 5.122 1.00 0.00 C ATOM 980 C GLU A 74 2.978 -16.249 4.757 1.00 0.00 C ATOM 981 O GLU A 74 2.831 -15.027 4.784 1.00 0.00 O ATOM 982 CB GLU A 74 4.377 -17.134 6.633 1.00 0.00 C ATOM 983 CG GLU A 74 5.780 -17.426 7.139 1.00 0.00 C ATOM 984 CD GLU A 74 5.852 -17.494 8.652 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.788 -17.634 9.291 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.972 -17.408 9.196 1.00 0.00 O ATOM 0 H GLU A 74 5.612 -15.268 5.267 1.00 0.00 H new ATOM 0 HA GLU A 74 4.372 -17.865 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.991 -16.253 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.724 -17.967 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.124 -18.372 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.460 -16.653 6.781 1.00 0.00 H new ATOM 993 N PRO A 75 1.985 -17.081 4.407 1.00 0.00 N ATOM 994 CA PRO A 75 0.650 -16.607 4.030 1.00 0.00 C ATOM 995 C PRO A 75 -0.117 -16.033 5.217 1.00 0.00 C ATOM 996 O PRO A 75 0.037 -16.491 6.348 1.00 0.00 O ATOM 997 CB PRO A 75 -0.039 -17.869 3.507 1.00 0.00 C ATOM 998 CG PRO A 75 0.664 -18.994 4.184 1.00 0.00 C ATOM 999 CD PRO A 75 2.090 -18.549 4.353 1.00 0.00 C ATOM 0 HA PRO A 75 0.695 -15.797 3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.103 -17.867 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.045 -17.945 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.207 -19.216 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.607 -19.905 3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.532 -18.954 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.715 -18.877 3.522 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.945 -15.028 4.950 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.725 -14.408 6.006 1.00 0.00 C ATOM 1009 C GLY A 76 -2.172 -13.005 5.649 1.00 0.00 C ATOM 1010 O GLY A 76 -1.941 -12.537 4.534 1.00 0.00 O ATOM 0 H GLY A 76 -1.090 -14.632 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.600 -15.023 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.132 -14.376 6.920 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.815 -12.331 6.597 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.299 -10.973 6.376 1.00 0.00 C ATOM 1016 C ASN A 77 -2.231 -9.949 6.746 1.00 0.00 C ATOM 1017 O ASN A 77 -2.044 -9.627 7.919 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.567 -10.721 7.193 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.299 -10.698 8.686 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.521 -11.503 9.200 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -4.943 -9.775 9.389 1.00 0.00 N ATOM 0 H ASN A 77 -3.013 -12.703 7.526 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.531 -10.865 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.007 -9.771 6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.300 -11.497 6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.803 -9.712 10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.578 -9.129 8.921 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.532 -9.441 5.737 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.480 -8.454 5.956 1.00 0.00 C ATOM 1030 C TYR A 78 -1.051 -7.038 5.942 1.00 0.00 C ATOM 1031 O TYR A 78 -1.621 -6.598 4.944 1.00 0.00 O ATOM 1032 CB TYR A 78 0.606 -8.589 4.887 1.00 0.00 C ATOM 1033 CG TYR A 78 1.516 -9.779 5.096 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.120 -11.056 4.718 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.771 -9.624 5.670 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.949 -12.145 4.908 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.608 -10.707 5.862 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.191 -11.966 5.480 1.00 0.00 C ATOM 1039 OH TYR A 78 4.020 -13.048 5.670 1.00 0.00 O ATOM 0 H TYR A 78 -1.674 -9.696 4.760 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.040 -8.640 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.133 -8.671 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.207 -7.680 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.149 -11.200 4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.099 -8.640 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.626 -13.132 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.582 -10.569 6.308 1.00 0.00 H new ATOM 0 HH TYR A 78 3.511 -13.876 5.544 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.890 -6.332 7.057 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.388 -4.967 7.173 1.00 0.00 C ATOM 1051 C GLU A 79 -0.304 -3.958 6.803 1.00 0.00 C ATOM 1052 O GLU A 79 0.650 -3.751 7.553 1.00 0.00 O ATOM 1053 CB GLU A 79 -1.884 -4.700 8.596 1.00 0.00 C ATOM 1054 CG GLU A 79 -2.974 -3.645 8.673 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.133 -3.072 10.067 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.103 -2.762 10.702 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.287 -2.932 10.525 1.00 0.00 O ATOM 0 H GLU A 79 -0.419 -6.682 7.891 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.220 -4.852 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.260 -5.631 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.042 -4.386 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.744 -2.839 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.920 -4.082 8.353 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.457 -3.334 5.639 1.00 0.00 N ATOM 1065 CA VAL A 80 0.507 -2.347 5.169 1.00 0.00 C ATOM 1066 C VAL A 80 0.110 -0.940 5.601 1.00 0.00 C ATOM 1067 O VAL A 80 -0.851 -0.369 5.086 1.00 0.00 O ATOM 1068 CB VAL A 80 0.641 -2.381 3.634 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.813 -1.523 3.181 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.798 -3.813 3.145 1.00 0.00 C ATOM 0 H VAL A 80 -1.239 -3.495 5.005 1.00 0.00 H new ATOM 0 HA VAL A 80 1.467 -2.604 5.617 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.269 -1.970 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.892 -1.559 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.654 -0.493 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.734 -1.902 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.891 -3.818 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.691 -4.253 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.076 -4.395 3.437 1.00 0.00 H new ATOM 1080 N SER A 81 0.857 -0.387 6.552 1.00 0.00 N ATOM 1081 CA SER A 81 0.581 0.954 7.057 1.00 0.00 C ATOM 1082 C SER A 81 1.237 2.012 6.177 1.00 0.00 C ATOM 1083 O SER A 81 2.457 2.031 6.014 1.00 0.00 O ATOM 1084 CB SER A 81 1.080 1.090 8.497 1.00 0.00 C ATOM 1085 OG SER A 81 0.844 2.395 8.996 1.00 0.00 O ATOM 0 H SER A 81 1.657 -0.846 6.988 1.00 0.00 H new ATOM 0 HA SER A 81 -0.498 1.109 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.578 0.359 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.146 0.869 8.538 1.00 0.00 H new ATOM 0 HG SER A 81 1.170 2.457 9.918 1.00 0.00 H new ATOM 1091 N ILE A 82 0.417 2.891 5.610 1.00 0.00 N ATOM 1092 CA ILE A 82 0.917 3.954 4.746 1.00 0.00 C ATOM 1093 C ILE A 82 0.640 5.327 5.348 1.00 0.00 C ATOM 1094 O ILE A 82 -0.422 5.563 5.924 1.00 0.00 O ATOM 1095 CB ILE A 82 0.284 3.885 3.344 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.691 2.587 2.642 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.695 5.092 2.517 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.074 2.328 1.363 1.00 0.00 C ATOM 0 H ILE A 82 -0.596 2.888 5.733 1.00 0.00 H new ATOM 0 HA ILE A 82 1.994 3.808 4.658 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.801 3.895 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.757 2.623 2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.537 1.751 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.239 5.028 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.361 6.003 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.780 5.111 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.266 1.392 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.139 2.259 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.100 3.146 0.663 1.00 0.00 H new ATOM 1110 N LYS A 83 1.603 6.233 5.210 1.00 0.00 N ATOM 1111 CA LYS A 83 1.464 7.585 5.737 1.00 0.00 C ATOM 1112 C LYS A 83 1.952 8.616 4.726 1.00 0.00 C ATOM 1113 O LYS A 83 3.074 8.528 4.227 1.00 0.00 O ATOM 1114 CB LYS A 83 2.245 7.728 7.045 1.00 0.00 C ATOM 1115 CG LYS A 83 1.441 7.355 8.278 1.00 0.00 C ATOM 1116 CD LYS A 83 1.890 8.144 9.498 1.00 0.00 C ATOM 1117 CE LYS A 83 3.149 7.550 10.112 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.862 6.293 10.856 1.00 0.00 N ATOM 0 H LYS A 83 2.489 6.054 4.737 1.00 0.00 H new ATOM 0 HA LYS A 83 0.407 7.765 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.134 7.100 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.588 8.758 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.383 7.540 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.548 6.288 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.076 9.180 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.092 8.155 10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.877 7.349 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.602 8.276 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.152 6.403 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.843 6.090 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.390 5.507 10.426 1.00 0.00 H new ATOM 1132 N PHE A 84 1.104 9.595 4.428 1.00 0.00 N ATOM 1133 CA PHE A 84 1.450 10.644 3.476 1.00 0.00 C ATOM 1134 C PHE A 84 1.696 11.969 4.192 1.00 0.00 C ATOM 1135 O PHE A 84 0.762 12.613 4.667 1.00 0.00 O ATOM 1136 CB PHE A 84 0.336 10.810 2.441 1.00 0.00 C ATOM 1137 CG PHE A 84 0.535 11.988 1.530 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.349 11.888 0.413 1.00 0.00 C ATOM 1139 CD2 PHE A 84 -0.092 13.196 1.791 1.00 0.00 C ATOM 1140 CE1 PHE A 84 1.534 12.970 -0.426 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.089 14.282 0.955 1.00 0.00 C ATOM 1142 CZ PHE A 84 0.902 14.168 -0.155 1.00 0.00 C ATOM 0 H PHE A 84 0.172 9.684 4.832 1.00 0.00 H new ATOM 0 HA PHE A 84 2.368 10.350 2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.271 9.903 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.617 10.918 2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.845 10.953 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.730 13.290 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.172 12.879 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.405 15.218 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.044 15.014 -0.811 1.00 0.00 H new ATOM 1152 N ASN A 85 2.961 12.370 4.264 1.00 0.00 N ATOM 1153 CA ASN A 85 3.331 13.617 4.923 1.00 0.00 C ATOM 1154 C ASN A 85 3.069 13.539 6.424 1.00 0.00 C ATOM 1155 O ASN A 85 2.655 14.518 7.045 1.00 0.00 O ATOM 1156 CB ASN A 85 2.553 14.787 4.320 1.00 0.00 C ATOM 1157 CG ASN A 85 2.658 14.834 2.807 1.00 0.00 C ATOM 1158 OD1 ASN A 85 2.871 13.810 2.158 1.00 0.00 O ATOM 1159 ND2 ASN A 85 2.511 16.025 2.240 1.00 0.00 N ATOM 0 H ASN A 85 3.747 11.850 3.874 1.00 0.00 H new ATOM 0 HA ASN A 85 4.398 13.778 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.504 14.708 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.928 15.722 4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.573 16.118 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.336 16.847 2.818 1.00 0.00 H new ATOM 1166 N ASP A 86 3.315 12.367 7.001 1.00 0.00 N ATOM 1167 CA ASP A 86 3.106 12.159 8.429 1.00 0.00 C ATOM 1168 C ASP A 86 1.620 12.171 8.770 1.00 0.00 C ATOM 1169 O ASP A 86 1.222 12.635 9.838 1.00 0.00 O ATOM 1170 CB ASP A 86 3.835 13.237 9.235 1.00 0.00 C ATOM 1171 CG ASP A 86 5.267 13.432 8.777 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.146 12.673 9.237 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.510 14.343 7.959 1.00 0.00 O ATOM 0 H ASP A 86 3.659 11.547 6.501 1.00 0.00 H new ATOM 0 HA ASP A 86 3.512 11.182 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.296 14.180 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.828 12.965 10.290 1.00 0.00 H new ATOM 1178 N GLU A 87 0.803 11.659 7.854 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.639 11.612 8.058 1.00 0.00 C ATOM 1180 C GLU A 87 -1.218 10.296 7.546 1.00 0.00 C ATOM 1181 O GLU A 87 -0.872 9.833 6.459 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.315 12.788 7.350 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.423 14.036 8.211 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.880 15.249 7.426 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.063 15.286 7.028 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.056 16.161 7.209 1.00 0.00 O ATOM 0 H GLU A 87 1.116 11.271 6.964 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.831 11.682 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.755 13.028 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.314 12.486 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.123 13.851 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.454 14.245 8.664 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.103 9.697 8.339 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.730 8.435 7.967 1.00 0.00 C ATOM 1195 C HIS A 88 -3.930 8.673 7.054 1.00 0.00 C ATOM 1196 O HIS A 88 -4.991 9.104 7.508 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.170 7.671 9.217 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.126 6.735 9.745 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.077 5.399 9.412 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.087 6.951 10.586 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.054 4.832 10.026 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.436 5.752 10.744 1.00 0.00 N ATOM 0 H HIS A 88 -2.401 10.066 9.242 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.995 7.839 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.433 8.386 9.996 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.072 7.104 8.988 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -2.729 4.922 8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.820 7.891 11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.771 3.792 9.953 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.754 8.390 5.769 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.822 8.572 4.793 1.00 0.00 C ATOM 1212 C ILE A 89 -6.043 7.732 5.151 1.00 0.00 C ATOM 1213 O ILE A 89 -5.959 6.754 5.895 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.357 8.203 3.372 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.333 7.067 3.427 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.769 9.420 2.675 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.292 6.230 2.168 1.00 0.00 C ATOM 0 H ILE A 89 -2.882 8.034 5.378 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.091 9.628 4.814 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.220 7.862 2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.344 7.489 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.563 6.422 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.445 9.143 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.525 10.202 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.915 9.788 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.544 5.444 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.270 5.779 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.032 6.862 1.319 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.207 8.118 4.609 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.468 7.412 4.854 1.00 0.00 C ATOM 1231 C PRO A 90 -8.503 6.040 4.191 1.00 0.00 C ATOM 1232 O PRO A 90 -9.505 5.330 4.266 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.518 8.335 4.229 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.779 9.098 3.186 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.382 9.274 3.713 1.00 0.00 C ATOM 0 HA PRO A 90 -8.627 7.219 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.339 7.764 3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.953 9.002 4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.774 8.559 2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.251 10.063 3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.646 9.274 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.270 10.217 4.248 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.401 5.672 3.543 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.307 4.383 2.868 1.00 0.00 C ATOM 1245 C GLU A 91 -6.278 3.485 3.549 1.00 0.00 C ATOM 1246 O GLU A 91 -6.139 2.312 3.206 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.934 4.580 1.397 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.996 5.311 0.592 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.842 6.818 0.656 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.774 7.287 1.104 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -8.789 7.528 0.257 1.00 0.00 O ATOM 0 H GLU A 91 -6.562 6.248 3.472 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.282 3.898 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.999 5.137 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.753 3.606 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.945 4.988 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.983 5.034 0.963 1.00 0.00 H new ATOM 1258 N SER A 92 -5.560 4.047 4.516 1.00 0.00 N ATOM 1259 CA SER A 92 -4.541 3.299 5.243 1.00 0.00 C ATOM 1260 C SER A 92 -4.885 3.213 6.728 1.00 0.00 C ATOM 1261 O SER A 92 -5.592 4.058 7.278 1.00 0.00 O ATOM 1262 CB SER A 92 -3.171 3.956 5.064 1.00 0.00 C ATOM 1263 OG SER A 92 -2.920 4.901 6.089 1.00 0.00 O ATOM 0 H SER A 92 -5.665 5.017 4.814 1.00 0.00 H new ATOM 0 HA SER A 92 -4.508 2.288 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.394 3.192 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.124 4.448 4.092 1.00 0.00 H new ATOM 0 HG SER A 92 -1.964 4.902 6.306 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.375 2.167 7.394 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.533 1.154 6.750 1.00 0.00 C ATOM 1271 C PRO A 93 -4.318 0.278 5.780 1.00 0.00 C ATOM 1272 O PRO A 93 -5.540 0.386 5.682 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.018 0.321 7.927 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.044 0.496 8.991 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.580 1.892 8.825 1.00 0.00 C ATOM 0 HA PRO A 93 -2.742 1.603 6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.908 -0.728 7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.040 0.668 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.840 -0.242 8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.607 0.361 9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.633 1.954 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.045 2.605 9.452 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.609 -0.588 5.065 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.240 -1.482 4.101 1.00 0.00 C ATOM 1285 C TYR A 94 -4.176 -2.930 4.577 1.00 0.00 C ATOM 1286 O TYR A 94 -3.242 -3.326 5.277 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.563 -1.352 2.736 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.708 0.021 2.118 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.093 1.129 2.686 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.457 0.209 0.963 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.222 2.384 2.125 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.591 1.460 0.394 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.973 2.545 0.979 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.103 3.794 0.415 1.00 0.00 O ATOM 0 H TYR A 94 -2.597 -0.690 5.135 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.288 -1.195 4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.503 -1.584 2.842 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.986 -2.093 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.503 1.007 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.943 -0.638 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.738 3.235 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.177 1.588 -0.504 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.663 3.734 -0.387 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.174 -3.717 4.192 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.233 -5.123 4.578 1.00 0.00 C ATOM 1306 C LEU A 95 -5.279 -6.023 3.347 1.00 0.00 C ATOM 1307 O LEU A 95 -6.316 -6.149 2.696 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.457 -5.380 5.459 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.450 -6.688 6.251 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.276 -6.721 7.216 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.763 -6.864 6.999 1.00 0.00 C ATOM 0 H LEU A 95 -5.954 -3.406 3.613 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.331 -5.358 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.554 -4.553 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.345 -5.366 4.827 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.340 -7.515 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.287 -7.659 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.343 -6.641 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.354 -5.886 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.741 -7.800 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.902 -6.032 7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.588 -6.886 6.286 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.149 -6.650 3.036 1.00 0.00 N ATOM 1324 CA VAL A 96 -4.062 -7.542 1.886 1.00 0.00 C ATOM 1325 C VAL A 96 -3.970 -8.999 2.326 1.00 0.00 C ATOM 1326 O VAL A 96 -2.977 -9.435 2.908 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.843 -7.206 1.006 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -3.112 -7.576 -0.444 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.487 -5.731 1.130 1.00 0.00 C ATOM 0 H VAL A 96 -3.281 -6.557 3.564 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.972 -7.398 1.304 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.993 -7.793 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.240 -7.331 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.315 -8.645 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.975 -7.018 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.624 -5.511 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.334 -5.124 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.248 -5.500 2.168 1.00 0.00 H new ATOM 1339 N PRO A 97 -5.029 -9.770 2.041 1.00 0.00 N ATOM 1340 CA PRO A 97 -5.092 -11.191 2.398 1.00 0.00 C ATOM 1341 C PRO A 97 -4.130 -12.039 1.574 1.00 0.00 C ATOM 1342 O PRO A 97 -4.483 -12.535 0.503 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.542 -11.570 2.085 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.973 -10.597 1.043 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.247 -9.315 1.348 1.00 0.00 C ATOM 0 HA PRO A 97 -4.806 -11.364 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.613 -12.595 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.169 -11.502 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.725 -10.958 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.053 -10.450 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.010 -8.762 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.844 -8.655 1.977 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.911 -12.203 2.079 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.898 -12.993 1.390 1.00 0.00 C ATOM 1355 C VAL A 98 -2.120 -14.485 1.611 1.00 0.00 C ATOM 1356 O VAL A 98 -2.349 -14.928 2.736 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.480 -12.621 1.861 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.551 -13.551 1.241 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.170 -11.170 1.525 1.00 0.00 C ATOM 0 H VAL A 98 -2.601 -11.799 2.963 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.990 -12.768 0.327 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.435 -12.738 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.547 -13.272 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.339 -14.578 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.507 -13.470 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.836 -10.925 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.234 -11.025 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.890 -10.520 2.022 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.050 -15.254 0.530 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.241 -16.697 0.607 1.00 0.00 C ATOM 1371 C ILE A 99 -1.113 -17.440 -0.101 1.00 0.00 C ATOM 1372 O ILE A 99 -0.508 -16.922 -1.039 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.586 -17.119 -0.013 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.648 -16.705 -1.484 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.743 -16.508 0.764 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.519 -17.607 -2.330 1.00 0.00 C ATOM 0 H ILE A 99 -1.863 -14.902 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.238 -16.960 1.665 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.669 -18.204 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.024 -15.684 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.638 -16.700 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.687 -16.816 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.707 -16.849 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.666 -15.421 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.516 -17.253 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.131 -18.625 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.539 -17.594 -1.945 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.837 -18.657 0.354 1.00 0.00 N ATOM 1389 CA ALA A 100 0.216 -19.474 -0.238 1.00 0.00 C ATOM 1390 C ALA A 100 -0.280 -20.184 -1.493 1.00 0.00 C ATOM 1391 O ALA A 100 -1.179 -21.024 -1.445 1.00 0.00 O ATOM 1392 CB ALA A 100 0.732 -20.485 0.774 1.00 0.00 C ATOM 0 H ALA A 100 -1.328 -19.100 1.131 1.00 0.00 H new ATOM 0 HA ALA A 100 1.035 -18.814 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.517 -21.088 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.134 -19.960 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.085 -21.133 1.090 1.00 0.00 H new ATOM 1398 N PRO A 101 0.318 -19.841 -2.643 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.049 -20.435 -3.933 1.00 0.00 C ATOM 1400 C PRO A 101 0.372 -21.897 -4.038 1.00 0.00 C ATOM 1401 O PRO A 101 1.559 -22.216 -4.003 1.00 0.00 O ATOM 1402 CB PRO A 101 0.722 -19.584 -4.946 1.00 0.00 C ATOM 1403 CG PRO A 101 1.883 -19.044 -4.183 1.00 0.00 C ATOM 1404 CD PRO A 101 1.397 -18.847 -2.774 1.00 0.00 C ATOM 0 HA PRO A 101 -1.128 -20.437 -4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.051 -20.182 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.101 -18.781 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.725 -19.736 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.228 -18.103 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.191 -19.018 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.031 -17.833 -2.613 1.00 0.00 H new