USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 663 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 68 LYS NZ :NH3+ 141:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 0:sc= 1.05 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.47) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0.00605 USER MOD Set 3.2: A 24 SER OG : rot -150:sc= -0.704 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 120:sc= 0.0235 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.0047) USER MOD Single : A 17 SER OG : rot -150:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 27 MET CE :methyl -158:sc= 0 (180deg=-0.347) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot 55:sc= 0.045 USER MOD Single : A 50 SER OG : rot 180:sc= -0.267 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.142 (180deg=-0.884) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 85:sc= 0.586 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -102:sc= -0.284 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.994 5.691 22.139 1.00 0.00 N ATOM 2 CA GLY A 1 13.250 4.310 21.645 1.00 0.00 C ATOM 3 C GLY A 1 14.690 4.108 21.213 1.00 0.00 C ATOM 4 O GLY A 1 15.531 3.692 22.010 1.00 0.00 O ATOM 0 H1 GLY A 1 11.997 5.779 22.422 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.605 5.886 22.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.201 6.374 21.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.005 3.595 22.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.588 4.099 20.805 1.00 0.00 H new ATOM 10 N SER A 2 14.972 4.401 19.948 1.00 0.00 N ATOM 11 CA SER A 2 16.319 4.249 19.411 1.00 0.00 C ATOM 12 C SER A 2 16.629 5.347 18.399 1.00 0.00 C ATOM 13 O SER A 2 15.865 5.573 17.461 1.00 0.00 O ATOM 14 CB SER A 2 16.478 2.876 18.756 1.00 0.00 C ATOM 15 OG SER A 2 17.634 2.831 17.938 1.00 0.00 O ATOM 0 H SER A 2 14.286 4.745 19.276 1.00 0.00 H new ATOM 0 HA SER A 2 17.024 4.333 20.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.544 2.108 19.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.596 2.651 18.157 1.00 0.00 H new ATOM 0 HG SER A 2 17.713 1.942 17.532 1.00 0.00 H new ATOM 21 N SER A 3 17.754 6.026 18.595 1.00 0.00 N ATOM 22 CA SER A 3 18.165 7.100 17.699 1.00 0.00 C ATOM 23 C SER A 3 18.559 6.548 16.332 1.00 0.00 C ATOM 24 O SER A 3 19.711 6.174 16.113 1.00 0.00 O ATOM 25 CB SER A 3 19.333 7.879 18.304 1.00 0.00 C ATOM 26 OG SER A 3 19.222 9.265 18.025 1.00 0.00 O ATOM 0 H SER A 3 18.398 5.851 19.367 1.00 0.00 H new ATOM 0 HA SER A 3 17.318 7.774 17.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.358 7.723 19.382 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.273 7.499 17.905 1.00 0.00 H new ATOM 0 HG SER A 3 19.980 9.741 18.424 1.00 0.00 H new ATOM 32 N GLY A 4 17.596 6.501 15.419 1.00 0.00 N ATOM 33 CA GLY A 4 17.863 5.993 14.085 1.00 0.00 C ATOM 34 C GLY A 4 16.773 6.358 13.097 1.00 0.00 C ATOM 35 O GLY A 4 15.974 5.508 12.703 1.00 0.00 O ATOM 0 H GLY A 4 16.635 6.805 15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.816 6.389 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.964 4.908 14.126 1.00 0.00 H new ATOM 39 N SER A 5 16.740 7.624 12.695 1.00 0.00 N ATOM 40 CA SER A 5 15.740 8.099 11.747 1.00 0.00 C ATOM 41 C SER A 5 16.317 8.170 10.337 1.00 0.00 C ATOM 42 O SER A 5 15.994 9.074 9.568 1.00 0.00 O ATOM 43 CB SER A 5 15.221 9.476 12.168 1.00 0.00 C ATOM 44 OG SER A 5 14.688 9.440 13.481 1.00 0.00 O ATOM 0 H SER A 5 17.395 8.339 13.011 1.00 0.00 H new ATOM 0 HA SER A 5 14.912 7.391 11.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.031 10.204 12.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.453 9.808 11.469 1.00 0.00 H new ATOM 0 HG SER A 5 14.365 10.332 13.727 1.00 0.00 H new ATOM 50 N SER A 6 17.173 7.209 10.005 1.00 0.00 N ATOM 51 CA SER A 6 17.796 7.162 8.688 1.00 0.00 C ATOM 52 C SER A 6 16.748 6.971 7.598 1.00 0.00 C ATOM 53 O SER A 6 15.546 7.036 7.860 1.00 0.00 O ATOM 54 CB SER A 6 18.824 6.030 8.627 1.00 0.00 C ATOM 55 OG SER A 6 18.190 4.763 8.672 1.00 0.00 O ATOM 0 H SER A 6 17.451 6.452 10.630 1.00 0.00 H new ATOM 0 HA SER A 6 18.302 8.112 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.409 6.115 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.521 6.122 9.460 1.00 0.00 H new ATOM 0 HG SER A 6 18.408 4.259 7.860 1.00 0.00 H new ATOM 61 N GLY A 7 17.210 6.737 6.373 1.00 0.00 N ATOM 62 CA GLY A 7 16.297 6.541 5.261 1.00 0.00 C ATOM 63 C GLY A 7 16.268 5.104 4.781 1.00 0.00 C ATOM 64 O GLY A 7 15.199 4.555 4.511 1.00 0.00 O ATOM 0 H GLY A 7 18.199 6.680 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.293 6.841 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.589 7.191 4.436 1.00 0.00 H new ATOM 68 N GLU A 8 17.443 4.493 4.676 1.00 0.00 N ATOM 69 CA GLU A 8 17.547 3.109 4.226 1.00 0.00 C ATOM 70 C GLU A 8 17.975 2.195 5.370 1.00 0.00 C ATOM 71 O GLU A 8 18.713 2.607 6.264 1.00 0.00 O ATOM 72 CB GLU A 8 18.546 3.001 3.072 1.00 0.00 C ATOM 73 CG GLU A 8 17.953 3.357 1.719 1.00 0.00 C ATOM 74 CD GLU A 8 18.609 2.605 0.578 1.00 0.00 C ATOM 75 OE1 GLU A 8 19.832 2.365 0.651 1.00 0.00 O ATOM 76 OE2 GLU A 8 17.900 2.255 -0.388 1.00 0.00 O ATOM 0 H GLU A 8 18.336 4.933 4.896 1.00 0.00 H new ATOM 0 HA GLU A 8 16.564 2.791 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 8 19.392 3.658 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.934 1.983 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.885 3.139 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.059 4.429 1.551 1.00 0.00 H new ATOM 83 N GLY A 9 17.505 0.953 5.334 1.00 0.00 N ATOM 84 CA GLY A 9 17.849 0.000 6.373 1.00 0.00 C ATOM 85 C GLY A 9 16.694 -0.272 7.317 1.00 0.00 C ATOM 86 O GLY A 9 16.100 -1.350 7.287 1.00 0.00 O ATOM 0 H GLY A 9 16.892 0.589 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.166 -0.936 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.698 0.379 6.942 1.00 0.00 H new ATOM 90 N THR A 10 16.375 0.707 8.156 1.00 0.00 N ATOM 91 CA THR A 10 15.283 0.568 9.113 1.00 0.00 C ATOM 92 C THR A 10 14.088 1.423 8.701 1.00 0.00 C ATOM 93 O THR A 10 14.094 2.046 7.640 1.00 0.00 O ATOM 94 CB THR A 10 15.752 0.966 10.514 1.00 0.00 C ATOM 95 OG1 THR A 10 16.809 1.907 10.440 1.00 0.00 O ATOM 96 CG2 THR A 10 16.239 -0.207 11.336 1.00 0.00 C ATOM 0 H THR A 10 16.857 1.605 8.193 1.00 0.00 H new ATOM 0 HA THR A 10 14.973 -0.477 9.125 1.00 0.00 H new ATOM 0 HB THR A 10 14.876 1.393 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.094 2.151 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.557 0.144 12.318 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.431 -0.930 11.453 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.080 -0.681 10.830 1.00 0.00 H new ATOM 104 N VAL A 11 13.064 1.447 9.548 1.00 0.00 N ATOM 105 CA VAL A 11 11.862 2.224 9.275 1.00 0.00 C ATOM 106 C VAL A 11 11.209 1.785 7.968 1.00 0.00 C ATOM 107 O VAL A 11 11.437 2.382 6.917 1.00 0.00 O ATOM 108 CB VAL A 11 12.177 3.729 9.201 1.00 0.00 C ATOM 109 CG1 VAL A 11 10.900 4.539 9.031 1.00 0.00 C ATOM 110 CG2 VAL A 11 12.937 4.176 10.440 1.00 0.00 C ATOM 0 H VAL A 11 13.043 0.936 10.431 1.00 0.00 H new ATOM 0 HA VAL A 11 11.171 2.044 10.099 1.00 0.00 H new ATOM 0 HB VAL A 11 12.808 3.905 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.146 5.600 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.399 4.239 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.239 4.359 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.151 5.242 10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.332 3.984 11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.873 3.622 10.512 1.00 0.00 H new ATOM 120 N LYS A 12 10.394 0.737 8.044 1.00 0.00 N ATOM 121 CA LYS A 12 9.706 0.217 6.868 1.00 0.00 C ATOM 122 C LYS A 12 8.255 0.687 6.836 1.00 0.00 C ATOM 123 O LYS A 12 7.787 1.352 7.759 1.00 0.00 O ATOM 124 CB LYS A 12 9.760 -1.312 6.854 1.00 0.00 C ATOM 125 CG LYS A 12 9.061 -1.955 8.041 1.00 0.00 C ATOM 126 CD LYS A 12 9.054 -3.471 7.927 1.00 0.00 C ATOM 127 CE LYS A 12 8.598 -4.127 9.221 1.00 0.00 C ATOM 128 NZ LYS A 12 9.509 -5.229 9.638 1.00 0.00 N ATOM 0 H LYS A 12 10.194 0.232 8.907 1.00 0.00 H new ATOM 0 HA LYS A 12 10.213 0.599 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.303 -1.675 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.802 -1.631 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.562 -1.660 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.036 -1.589 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.394 -3.772 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.054 -3.822 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.551 -3.377 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.589 -4.519 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.163 -5.649 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.535 -5.957 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.467 -4.851 9.785 1.00 0.00 H new ATOM 142 N LEU A 13 7.549 0.336 5.766 1.00 0.00 N ATOM 143 CA LEU A 13 6.150 0.720 5.615 1.00 0.00 C ATOM 144 C LEU A 13 5.242 -0.194 6.430 1.00 0.00 C ATOM 145 O LEU A 13 5.072 -1.368 6.104 1.00 0.00 O ATOM 146 CB LEU A 13 5.744 0.678 4.140 1.00 0.00 C ATOM 147 CG LEU A 13 6.691 1.408 3.186 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.333 1.101 1.741 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.651 2.907 3.440 1.00 0.00 C ATOM 0 H LEU A 13 7.922 -0.213 4.992 1.00 0.00 H new ATOM 0 HA LEU A 13 6.038 1.738 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.671 -0.364 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.748 1.110 4.041 1.00 0.00 H new ATOM 0 HG LEU A 13 7.706 1.055 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.017 1.629 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.413 0.028 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.312 1.426 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.331 3.411 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.637 3.276 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.956 3.110 4.466 1.00 0.00 H new ATOM 161 N HIS A 14 4.662 0.353 7.495 1.00 0.00 N ATOM 162 CA HIS A 14 3.771 -0.413 8.358 1.00 0.00 C ATOM 163 C HIS A 14 2.390 0.230 8.422 1.00 0.00 C ATOM 164 O HIS A 14 1.385 -0.401 8.093 1.00 0.00 O ATOM 165 CB HIS A 14 4.361 -0.520 9.765 1.00 0.00 C ATOM 166 CG HIS A 14 3.621 -1.469 10.656 1.00 0.00 C ATOM 167 ND1 HIS A 14 4.114 -2.691 11.055 1.00 0.00 N ATOM 168 CD2 HIS A 14 2.396 -1.355 11.229 1.00 0.00 C ATOM 169 CE1 HIS A 14 3.195 -3.268 11.840 1.00 0.00 C ATOM 170 NE2 HIS A 14 2.134 -2.498 11.978 1.00 0.00 N ATOM 0 H HIS A 14 4.794 1.323 7.780 1.00 0.00 H new ATOM 0 HA HIS A 14 3.667 -1.413 7.936 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.400 -0.840 9.691 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.364 0.468 10.224 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.730 -0.511 11.121 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.308 -4.238 12.300 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.294 -2.699 12.521 1.00 0.00 H new ATOM 178 N GLU A 15 2.347 1.489 8.844 1.00 0.00 N ATOM 179 CA GLU A 15 1.089 2.218 8.950 1.00 0.00 C ATOM 180 C GLU A 15 1.335 3.724 8.972 1.00 0.00 C ATOM 181 O GLU A 15 2.204 4.211 9.695 1.00 0.00 O ATOM 182 CB GLU A 15 0.332 1.792 10.209 1.00 0.00 C ATOM 183 CG GLU A 15 -0.733 0.738 9.952 1.00 0.00 C ATOM 184 CD GLU A 15 -2.137 1.311 9.969 1.00 0.00 C ATOM 185 OE1 GLU A 15 -2.365 2.342 9.300 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.007 0.730 10.649 1.00 0.00 O ATOM 0 H GLU A 15 3.170 2.026 9.118 1.00 0.00 H new ATOM 0 HA GLU A 15 0.484 1.980 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.045 1.406 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.137 2.669 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.548 0.268 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.655 -0.044 10.707 1.00 0.00 H new ATOM 193 N GLY A 16 0.563 4.456 8.174 1.00 0.00 N ATOM 194 CA GLY A 16 0.713 5.899 8.118 1.00 0.00 C ATOM 195 C GLY A 16 2.041 6.320 7.520 1.00 0.00 C ATOM 196 O GLY A 16 2.782 7.096 8.123 1.00 0.00 O ATOM 0 H GLY A 16 -0.163 4.076 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.099 6.323 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.624 6.310 9.124 1.00 0.00 H new ATOM 200 N SER A 17 2.343 5.807 6.332 1.00 0.00 N ATOM 201 CA SER A 17 3.591 6.133 5.651 1.00 0.00 C ATOM 202 C SER A 17 3.319 6.795 4.305 1.00 0.00 C ATOM 203 O SER A 17 2.306 6.522 3.661 1.00 0.00 O ATOM 204 CB SER A 17 4.432 4.872 5.452 1.00 0.00 C ATOM 205 OG SER A 17 4.700 4.235 6.690 1.00 0.00 O ATOM 0 H SER A 17 1.740 5.163 5.820 1.00 0.00 H new ATOM 0 HA SER A 17 4.144 6.835 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.907 4.182 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.371 5.131 4.962 1.00 0.00 H new ATOM 0 HG SER A 17 5.560 3.768 6.638 1.00 0.00 H new ATOM 211 N GLN A 18 4.230 7.667 3.886 1.00 0.00 N ATOM 212 CA GLN A 18 4.089 8.370 2.615 1.00 0.00 C ATOM 213 C GLN A 18 4.865 7.658 1.511 1.00 0.00 C ATOM 214 O GLN A 18 6.093 7.579 1.553 1.00 0.00 O ATOM 215 CB GLN A 18 4.578 9.813 2.749 1.00 0.00 C ATOM 216 CG GLN A 18 3.756 10.646 3.719 1.00 0.00 C ATOM 217 CD GLN A 18 2.296 10.735 3.318 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.970 10.820 2.134 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.408 10.719 4.306 1.00 0.00 N ATOM 0 H GLN A 18 5.074 7.904 4.408 1.00 0.00 H new ATOM 0 HA GLN A 18 3.033 8.376 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.617 9.807 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.558 10.287 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.829 10.213 4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.175 11.650 3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.723 10.647 5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.411 10.778 4.097 1.00 0.00 H new ATOM 228 N VAL A 19 4.140 7.143 0.524 1.00 0.00 N ATOM 229 CA VAL A 19 4.759 6.438 -0.593 1.00 0.00 C ATOM 230 C VAL A 19 4.259 6.978 -1.928 1.00 0.00 C ATOM 231 O VAL A 19 3.140 7.481 -2.026 1.00 0.00 O ATOM 232 CB VAL A 19 4.480 4.925 -0.527 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.205 4.297 0.653 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.984 4.661 -0.444 1.00 0.00 C ATOM 0 H VAL A 19 3.123 7.200 0.475 1.00 0.00 H new ATOM 0 HA VAL A 19 5.833 6.605 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 19 4.857 4.466 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.995 3.228 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.278 4.453 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.862 4.759 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.806 3.587 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.580 5.134 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.492 5.073 -1.325 1.00 0.00 H new ATOM 244 N LEU A 20 5.096 6.870 -2.955 1.00 0.00 N ATOM 245 CA LEU A 20 4.738 7.347 -4.286 1.00 0.00 C ATOM 246 C LEU A 20 4.570 6.182 -5.255 1.00 0.00 C ATOM 247 O LEU A 20 5.251 5.163 -5.141 1.00 0.00 O ATOM 248 CB LEU A 20 5.805 8.312 -4.810 1.00 0.00 C ATOM 249 CG LEU A 20 5.576 8.819 -6.235 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.479 9.872 -6.258 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.866 9.378 -6.814 1.00 0.00 C ATOM 0 H LEU A 20 6.026 6.457 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 20 3.787 7.874 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.858 9.170 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.774 7.815 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 20 5.257 7.979 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.331 10.221 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.551 9.439 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.768 10.712 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.685 9.734 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.214 10.205 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.625 8.596 -6.834 1.00 0.00 H new ATOM 263 N LEU A 21 3.660 6.340 -6.212 1.00 0.00 N ATOM 264 CA LEU A 21 3.403 5.302 -7.203 1.00 0.00 C ATOM 265 C LEU A 21 4.276 5.504 -8.438 1.00 0.00 C ATOM 266 O LEU A 21 4.418 6.622 -8.932 1.00 0.00 O ATOM 267 CB LEU A 21 1.926 5.302 -7.599 1.00 0.00 C ATOM 268 CG LEU A 21 0.944 5.157 -6.434 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.463 5.537 -6.871 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.970 3.736 -5.891 1.00 0.00 C ATOM 0 H LEU A 21 3.088 7.178 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 21 3.651 4.338 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.707 6.231 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.754 4.488 -8.303 1.00 0.00 H new ATOM 0 HG LEU A 21 1.250 5.836 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.147 5.428 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.471 6.572 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.780 4.884 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.266 3.650 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.688 3.040 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.974 3.499 -5.540 1.00 0.00 H new ATOM 282 N THR A 22 4.858 4.417 -8.929 1.00 0.00 N ATOM 283 CA THR A 22 5.718 4.476 -10.106 1.00 0.00 C ATOM 284 C THR A 22 4.893 4.533 -11.389 1.00 0.00 C ATOM 285 O THR A 22 5.352 5.046 -12.409 1.00 0.00 O ATOM 286 CB THR A 22 6.651 3.264 -10.143 1.00 0.00 C ATOM 287 OG1 THR A 22 7.396 3.241 -11.347 1.00 0.00 O ATOM 288 CG2 THR A 22 5.921 1.943 -10.028 1.00 0.00 C ATOM 0 H THR A 22 4.751 3.484 -8.531 1.00 0.00 H new ATOM 0 HA THR A 22 6.314 5.387 -10.040 1.00 0.00 H new ATOM 0 HB THR A 22 7.304 3.376 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.988 2.460 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.641 1.125 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.376 1.909 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.219 1.842 -10.856 1.00 0.00 H new ATOM 296 N SER A 23 3.675 4.003 -11.332 1.00 0.00 N ATOM 297 CA SER A 23 2.791 3.994 -12.491 1.00 0.00 C ATOM 298 C SER A 23 1.861 5.204 -12.482 1.00 0.00 C ATOM 299 O SER A 23 1.706 5.887 -13.494 1.00 0.00 O ATOM 300 CB SER A 23 1.969 2.706 -12.522 1.00 0.00 C ATOM 301 OG SER A 23 1.393 2.437 -11.256 1.00 0.00 O ATOM 0 H SER A 23 3.278 3.575 -10.496 1.00 0.00 H new ATOM 0 HA SER A 23 3.411 4.044 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.183 2.791 -13.272 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.605 1.872 -12.820 1.00 0.00 H new ATOM 0 HG SER A 23 0.871 1.609 -11.303 1.00 0.00 H new ATOM 307 N SER A 24 1.244 5.462 -11.334 1.00 0.00 N ATOM 308 CA SER A 24 0.327 6.588 -11.195 1.00 0.00 C ATOM 309 C SER A 24 1.090 7.897 -11.012 1.00 0.00 C ATOM 310 O SER A 24 0.613 8.963 -11.403 1.00 0.00 O ATOM 311 CB SER A 24 -0.615 6.363 -10.011 1.00 0.00 C ATOM 312 OG SER A 24 -1.041 5.014 -9.947 1.00 0.00 O ATOM 0 H SER A 24 1.362 4.907 -10.486 1.00 0.00 H new ATOM 0 HA SER A 24 -0.261 6.658 -12.110 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.109 6.632 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.482 7.017 -10.103 1.00 0.00 H new ATOM 0 HG SER A 24 -1.936 4.972 -9.549 1.00 0.00 H new ATOM 318 N ASN A 25 2.275 7.810 -10.415 1.00 0.00 N ATOM 319 CA ASN A 25 3.101 8.990 -10.181 1.00 0.00 C ATOM 320 C ASN A 25 2.405 9.960 -9.230 1.00 0.00 C ATOM 321 O ASN A 25 2.418 11.172 -9.443 1.00 0.00 O ATOM 322 CB ASN A 25 3.417 9.689 -11.504 1.00 0.00 C ATOM 323 CG ASN A 25 4.804 10.301 -11.519 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.680 9.898 -10.754 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.011 11.279 -12.392 1.00 0.00 N ATOM 0 H ASN A 25 2.684 6.936 -10.085 1.00 0.00 H new ATOM 0 HA ASN A 25 4.034 8.665 -9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.331 8.972 -12.320 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.677 10.469 -11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.925 11.728 -12.448 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.256 11.582 -13.007 1.00 0.00 H new ATOM 332 N GLU A 26 1.798 9.416 -8.180 1.00 0.00 N ATOM 333 CA GLU A 26 1.097 10.232 -7.195 1.00 0.00 C ATOM 334 C GLU A 26 1.303 9.681 -5.787 1.00 0.00 C ATOM 335 O GLU A 26 1.173 8.480 -5.555 1.00 0.00 O ATOM 336 CB GLU A 26 -0.397 10.289 -7.520 1.00 0.00 C ATOM 337 CG GLU A 26 -0.761 11.377 -8.517 1.00 0.00 C ATOM 338 CD GLU A 26 -1.077 12.700 -7.846 1.00 0.00 C ATOM 339 OE1 GLU A 26 -0.128 13.390 -7.420 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.273 13.045 -7.747 1.00 0.00 O ATOM 0 H GLU A 26 1.777 8.414 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 26 1.509 11.240 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.711 9.324 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.955 10.451 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.064 11.516 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.623 11.055 -9.102 1.00 0.00 H new ATOM 347 N MET A 27 1.624 10.569 -4.851 1.00 0.00 N ATOM 348 CA MET A 27 1.847 10.172 -3.466 1.00 0.00 C ATOM 349 C MET A 27 0.557 9.662 -2.830 1.00 0.00 C ATOM 350 O MET A 27 -0.540 9.973 -3.294 1.00 0.00 O ATOM 351 CB MET A 27 2.396 11.350 -2.658 1.00 0.00 C ATOM 352 CG MET A 27 3.670 11.943 -3.238 1.00 0.00 C ATOM 353 SD MET A 27 4.855 12.423 -1.966 1.00 0.00 S ATOM 354 CE MET A 27 5.516 10.826 -1.499 1.00 0.00 C ATOM 0 H MET A 27 1.735 11.568 -5.027 1.00 0.00 H new ATOM 0 HA MET A 27 2.578 9.363 -3.460 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.635 12.128 -2.603 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.590 11.021 -1.637 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.133 11.216 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.418 12.815 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.946 10.888 -0.499 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.716 10.086 -1.504 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.289 10.530 -2.209 1.00 0.00 H new ATOM 364 N ALA A 28 0.697 8.878 -1.766 1.00 0.00 N ATOM 365 CA ALA A 28 -0.456 8.323 -1.068 1.00 0.00 C ATOM 366 C ALA A 28 -0.092 7.912 0.354 1.00 0.00 C ATOM 367 O ALA A 28 1.085 7.813 0.700 1.00 0.00 O ATOM 368 CB ALA A 28 -1.016 7.135 -1.836 1.00 0.00 C ATOM 0 H ALA A 28 1.598 8.613 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.221 9.097 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.877 6.730 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.324 7.457 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.250 6.365 -1.925 1.00 0.00 H new ATOM 374 N THR A 29 -1.111 7.674 1.175 1.00 0.00 N ATOM 375 CA THR A 29 -0.898 7.273 2.560 1.00 0.00 C ATOM 376 C THR A 29 -1.130 5.778 2.736 1.00 0.00 C ATOM 377 O THR A 29 -2.130 5.234 2.268 1.00 0.00 O ATOM 378 CB THR A 29 -1.823 8.059 3.490 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.809 9.437 3.164 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.452 7.928 4.952 1.00 0.00 C ATOM 0 H THR A 29 -2.091 7.752 0.904 1.00 0.00 H new ATOM 0 HA THR A 29 0.137 7.494 2.820 1.00 0.00 H new ATOM 0 HB THR A 29 -2.814 7.630 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.408 9.922 3.769 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.147 8.509 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.502 6.880 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.439 8.300 5.105 1.00 0.00 H new ATOM 388 N VAL A 30 -0.197 5.121 3.414 1.00 0.00 N ATOM 389 CA VAL A 30 -0.297 3.689 3.653 1.00 0.00 C ATOM 390 C VAL A 30 -1.208 3.392 4.838 1.00 0.00 C ATOM 391 O VAL A 30 -1.024 3.935 5.928 1.00 0.00 O ATOM 392 CB VAL A 30 1.086 3.063 3.912 1.00 0.00 C ATOM 393 CG1 VAL A 30 0.985 1.547 3.966 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.079 3.502 2.846 1.00 0.00 C ATOM 0 H VAL A 30 0.637 5.558 3.807 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.722 3.248 2.752 1.00 0.00 H new ATOM 0 HB VAL A 30 1.448 3.414 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.972 1.123 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.309 1.256 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.601 1.174 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.051 3.050 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.725 3.183 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.174 4.588 2.862 1.00 0.00 H new ATOM 404 N ARG A 31 -2.193 2.526 4.620 1.00 0.00 N ATOM 405 CA ARG A 31 -3.134 2.157 5.671 1.00 0.00 C ATOM 406 C ARG A 31 -2.959 0.695 6.070 1.00 0.00 C ATOM 407 O ARG A 31 -2.876 0.370 7.255 1.00 0.00 O ATOM 408 CB ARG A 31 -4.571 2.403 5.207 1.00 0.00 C ATOM 409 CG ARG A 31 -4.803 3.801 4.662 1.00 0.00 C ATOM 410 CD ARG A 31 -5.275 4.752 5.751 1.00 0.00 C ATOM 411 NE ARG A 31 -6.568 4.352 6.303 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.359 5.165 7.000 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.994 6.420 7.232 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.518 4.721 7.467 1.00 0.00 N ATOM 0 H ARG A 31 -2.360 2.067 3.725 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.929 2.779 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.825 1.675 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.248 2.231 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.880 4.179 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.544 3.763 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.534 4.785 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.350 5.760 5.344 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.882 3.395 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.103 6.766 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.604 7.038 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.803 3.757 7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.125 5.343 8.001 1.00 0.00 H new ATOM 428 N TYR A 32 -2.905 -0.183 5.073 1.00 0.00 N ATOM 429 CA TYR A 32 -2.741 -1.610 5.320 1.00 0.00 C ATOM 430 C TYR A 32 -1.430 -2.118 4.728 1.00 0.00 C ATOM 431 O TYR A 32 -1.004 -1.670 3.663 1.00 0.00 O ATOM 432 CB TYR A 32 -3.916 -2.391 4.729 1.00 0.00 C ATOM 433 CG TYR A 32 -3.953 -3.842 5.148 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.388 -4.208 6.417 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.553 -4.847 4.277 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.422 -5.534 6.804 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.585 -6.175 4.657 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.020 -6.514 5.921 1.00 0.00 C ATOM 439 OH TYR A 32 -4.052 -7.835 6.304 1.00 0.00 O ATOM 0 H TYR A 32 -2.972 0.069 4.087 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.717 -1.765 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.847 -1.911 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.866 -2.337 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.704 -3.444 7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.211 -4.586 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.762 -5.802 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.271 -6.944 3.967 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.738 -8.397 5.565 1.00 0.00 H new ATOM 449 N VAL A 33 -0.795 -3.054 5.425 1.00 0.00 N ATOM 450 CA VAL A 33 0.468 -3.622 4.967 1.00 0.00 C ATOM 451 C VAL A 33 0.597 -5.082 5.387 1.00 0.00 C ATOM 452 O VAL A 33 0.735 -5.389 6.571 1.00 0.00 O ATOM 453 CB VAL A 33 1.670 -2.835 5.518 1.00 0.00 C ATOM 454 CG1 VAL A 33 2.964 -3.316 4.878 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.479 -1.342 5.294 1.00 0.00 C ATOM 0 H VAL A 33 -1.134 -3.435 6.308 1.00 0.00 H new ATOM 0 HA VAL A 33 0.468 -3.557 3.879 1.00 0.00 H new ATOM 0 HB VAL A 33 1.735 -3.013 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.802 -2.747 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.106 -4.375 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.912 -3.171 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.339 -0.802 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.386 -1.143 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.575 -1.010 5.805 1.00 0.00 H new ATOM 465 N GLY A 34 0.550 -5.980 4.409 1.00 0.00 N ATOM 466 CA GLY A 34 0.663 -7.398 4.697 1.00 0.00 C ATOM 467 C GLY A 34 0.130 -8.265 3.570 1.00 0.00 C ATOM 468 O GLY A 34 0.034 -7.812 2.430 1.00 0.00 O ATOM 0 H GLY A 34 0.436 -5.751 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.709 -7.646 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.118 -7.624 5.614 1.00 0.00 H new ATOM 472 N PRO A 35 -0.230 -9.527 3.862 1.00 0.00 N ATOM 473 CA PRO A 35 -0.758 -10.450 2.854 1.00 0.00 C ATOM 474 C PRO A 35 -2.154 -10.058 2.384 1.00 0.00 C ATOM 475 O PRO A 35 -2.875 -9.340 3.078 1.00 0.00 O ATOM 476 CB PRO A 35 -0.797 -11.793 3.586 1.00 0.00 C ATOM 477 CG PRO A 35 -0.912 -11.434 5.027 1.00 0.00 C ATOM 478 CD PRO A 35 -0.149 -10.150 5.197 1.00 0.00 C ATOM 0 HA PRO A 35 -0.147 -10.460 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.643 -12.398 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.104 -12.375 3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.956 -11.309 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.499 -12.220 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.594 -9.516 5.964 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.884 -10.332 5.494 1.00 0.00 H new ATOM 486 N THR A 36 -2.531 -10.535 1.202 1.00 0.00 N ATOM 487 CA THR A 36 -3.843 -10.235 0.640 1.00 0.00 C ATOM 488 C THR A 36 -4.663 -11.508 0.462 1.00 0.00 C ATOM 489 O THR A 36 -4.187 -12.608 0.738 1.00 0.00 O ATOM 490 CB THR A 36 -3.692 -9.520 -0.705 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.014 -10.343 -1.638 1.00 0.00 O ATOM 492 CG2 THR A 36 -2.932 -8.215 -0.607 1.00 0.00 C ATOM 0 H THR A 36 -1.947 -11.131 0.615 1.00 0.00 H new ATOM 0 HA THR A 36 -4.368 -9.581 1.336 1.00 0.00 H new ATOM 0 HB THR A 36 -4.709 -9.306 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.393 -9.798 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.861 -7.760 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.457 -7.538 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.930 -8.405 -0.222 1.00 0.00 H new ATOM 500 N ASP A 37 -5.900 -11.350 0.000 1.00 0.00 N ATOM 501 CA ASP A 37 -6.786 -12.487 -0.214 1.00 0.00 C ATOM 502 C ASP A 37 -7.031 -12.715 -1.702 1.00 0.00 C ATOM 503 O ASP A 37 -7.199 -13.849 -2.147 1.00 0.00 O ATOM 504 CB ASP A 37 -8.119 -12.263 0.505 1.00 0.00 C ATOM 505 CG ASP A 37 -8.119 -12.831 1.911 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.834 -14.037 2.064 1.00 0.00 O ATOM 507 OD2 ASP A 37 -8.404 -12.070 2.858 1.00 0.00 O ATOM 0 H ASP A 37 -6.310 -10.446 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.303 -13.374 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.331 -11.195 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.921 -12.724 -0.071 1.00 0.00 H new ATOM 512 N PHE A 38 -7.049 -11.628 -2.466 1.00 0.00 N ATOM 513 CA PHE A 38 -7.272 -11.709 -3.905 1.00 0.00 C ATOM 514 C PHE A 38 -5.997 -12.127 -4.631 1.00 0.00 C ATOM 515 O PHE A 38 -6.049 -12.794 -5.664 1.00 0.00 O ATOM 516 CB PHE A 38 -7.761 -10.363 -4.443 1.00 0.00 C ATOM 517 CG PHE A 38 -6.824 -9.224 -4.155 1.00 0.00 C ATOM 518 CD1 PHE A 38 -5.734 -8.984 -4.974 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.035 -8.396 -3.065 1.00 0.00 C ATOM 520 CE1 PHE A 38 -4.870 -7.938 -4.712 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.176 -7.347 -2.798 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.091 -7.118 -3.623 1.00 0.00 C ATOM 0 H PHE A 38 -6.912 -10.681 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.036 -12.465 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.903 -10.442 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.735 -10.140 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.557 -9.622 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.880 -8.572 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.023 -7.762 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.352 -6.707 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.417 -6.299 -3.416 1.00 0.00 H new ATOM 532 N ALA A 39 -4.853 -11.729 -4.083 1.00 0.00 N ATOM 533 CA ALA A 39 -3.565 -12.062 -4.678 1.00 0.00 C ATOM 534 C ALA A 39 -2.677 -12.804 -3.685 1.00 0.00 C ATOM 535 O ALA A 39 -3.096 -13.107 -2.568 1.00 0.00 O ATOM 536 CB ALA A 39 -2.870 -10.803 -5.170 1.00 0.00 C ATOM 0 H ALA A 39 -4.793 -11.176 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.745 -12.721 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.909 -11.067 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.492 -10.313 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.710 -10.125 -4.332 1.00 0.00 H new ATOM 542 N SER A 40 -1.448 -13.095 -4.099 1.00 0.00 N ATOM 543 CA SER A 40 -0.500 -13.802 -3.246 1.00 0.00 C ATOM 544 C SER A 40 0.841 -13.077 -3.207 1.00 0.00 C ATOM 545 O SER A 40 1.726 -13.344 -4.021 1.00 0.00 O ATOM 546 CB SER A 40 -0.305 -15.235 -3.744 1.00 0.00 C ATOM 547 OG SER A 40 -0.190 -15.274 -5.155 1.00 0.00 O ATOM 0 H SER A 40 -1.085 -12.852 -5.021 1.00 0.00 H new ATOM 0 HA SER A 40 -0.907 -13.829 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.590 -15.662 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.147 -15.851 -3.428 1.00 0.00 H new ATOM 0 HG SER A 40 0.526 -14.669 -5.442 1.00 0.00 H new ATOM 553 N GLY A 41 0.986 -12.160 -2.256 1.00 0.00 N ATOM 554 CA GLY A 41 2.223 -11.413 -2.129 1.00 0.00 C ATOM 555 C GLY A 41 2.107 -10.266 -1.143 1.00 0.00 C ATOM 556 O GLY A 41 1.205 -10.246 -0.306 1.00 0.00 O ATOM 0 H GLY A 41 0.269 -11.921 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.019 -12.085 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.510 -11.022 -3.105 1.00 0.00 H new ATOM 560 N ILE A 42 3.022 -9.307 -1.244 1.00 0.00 N ATOM 561 CA ILE A 42 3.019 -8.152 -0.354 1.00 0.00 C ATOM 562 C ILE A 42 2.427 -6.929 -1.047 1.00 0.00 C ATOM 563 O ILE A 42 2.914 -6.496 -2.091 1.00 0.00 O ATOM 564 CB ILE A 42 4.441 -7.813 0.133 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.128 -9.063 0.690 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.394 -6.715 1.186 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.575 -9.195 0.270 1.00 0.00 C ATOM 0 H ILE A 42 3.774 -9.307 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 42 2.403 -8.416 0.505 1.00 0.00 H new ATOM 0 HB ILE A 42 5.021 -7.451 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.074 -9.043 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.580 -9.946 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.406 -6.487 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.943 -5.820 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.799 -7.051 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.998 -10.103 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.635 -9.247 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.137 -8.330 0.623 1.00 0.00 H new ATOM 579 N TRP A 43 1.371 -6.376 -0.459 1.00 0.00 N ATOM 580 CA TRP A 43 0.711 -5.202 -1.020 1.00 0.00 C ATOM 581 C TRP A 43 0.513 -4.128 0.045 1.00 0.00 C ATOM 582 O TRP A 43 0.851 -4.327 1.211 1.00 0.00 O ATOM 583 CB TRP A 43 -0.639 -5.590 -1.626 1.00 0.00 C ATOM 584 CG TRP A 43 -0.519 -6.525 -2.792 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.196 -7.850 -2.749 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.722 -6.204 -4.173 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.184 -8.373 -4.020 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.504 -7.382 -4.911 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.067 -5.035 -4.856 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.621 -7.424 -6.298 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.181 -5.078 -6.233 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.959 -6.266 -6.942 1.00 0.00 C ATOM 0 H TRP A 43 0.954 -6.722 0.405 1.00 0.00 H new ATOM 0 HA TRP A 43 1.351 -4.797 -1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.254 -6.057 -0.857 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.159 -4.687 -1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.019 -8.406 -1.848 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.028 -9.341 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.241 -4.115 -4.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.451 -8.339 -6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.446 -4.180 -6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.057 -6.267 -8.018 1.00 0.00 H new ATOM 603 N LEU A 44 -0.036 -2.989 -0.366 1.00 0.00 N ATOM 604 CA LEU A 44 -0.278 -1.884 0.553 1.00 0.00 C ATOM 605 C LEU A 44 -1.609 -1.203 0.247 1.00 0.00 C ATOM 606 O LEU A 44 -1.934 -0.947 -0.912 1.00 0.00 O ATOM 607 CB LEU A 44 0.860 -0.864 0.470 1.00 0.00 C ATOM 608 CG LEU A 44 2.260 -1.465 0.327 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.263 -0.392 -0.068 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.682 -2.142 1.623 1.00 0.00 C ATOM 0 H LEU A 44 -0.321 -2.808 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.321 -2.289 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.676 -0.205 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.837 -0.244 1.366 1.00 0.00 H new ATOM 0 HG LEU A 44 2.235 -2.217 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.253 -0.837 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.968 0.049 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.287 0.383 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.680 -2.564 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.691 -1.409 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.977 -2.938 1.864 1.00 0.00 H new ATOM 622 N GLY A 45 -2.374 -0.913 1.295 1.00 0.00 N ATOM 623 CA GLY A 45 -3.659 -0.263 1.117 1.00 0.00 C ATOM 624 C GLY A 45 -3.555 1.249 1.160 1.00 0.00 C ATOM 625 O GLY A 45 -3.747 1.861 2.210 1.00 0.00 O ATOM 0 H GLY A 45 -2.127 -1.117 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.088 -0.568 0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.344 -0.599 1.896 1.00 0.00 H new ATOM 629 N LEU A 46 -3.250 1.851 0.015 1.00 0.00 N ATOM 630 CA LEU A 46 -3.119 3.300 -0.075 1.00 0.00 C ATOM 631 C LEU A 46 -4.483 3.978 -0.001 1.00 0.00 C ATOM 632 O LEU A 46 -5.518 3.331 -0.163 1.00 0.00 O ATOM 633 CB LEU A 46 -2.413 3.690 -1.375 1.00 0.00 C ATOM 634 CG LEU A 46 -0.988 3.152 -1.524 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.360 3.655 -2.815 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.140 3.552 -0.326 1.00 0.00 C ATOM 0 H LEU A 46 -3.089 1.358 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.521 3.637 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.009 3.334 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.384 4.777 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.033 2.064 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.653 3.262 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.955 3.319 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.327 4.744 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.870 3.161 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.102 4.639 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.579 3.143 0.584 1.00 0.00 H new ATOM 648 N GLU A 47 -4.476 5.284 0.244 1.00 0.00 N ATOM 649 CA GLU A 47 -5.713 6.052 0.338 1.00 0.00 C ATOM 650 C GLU A 47 -5.498 7.488 -0.124 1.00 0.00 C ATOM 651 O GLU A 47 -4.638 8.198 0.399 1.00 0.00 O ATOM 652 CB GLU A 47 -6.238 6.040 1.776 1.00 0.00 C ATOM 653 CG GLU A 47 -7.749 6.177 1.873 1.00 0.00 C ATOM 654 CD GLU A 47 -8.176 7.384 2.686 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.884 8.521 2.260 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.802 7.191 3.749 1.00 0.00 O ATOM 0 H GLU A 47 -3.627 5.833 0.381 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.451 5.586 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.934 5.110 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.771 6.854 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.168 6.253 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.163 5.275 2.324 1.00 0.00 H new ATOM 663 N LEU A 48 -6.284 7.911 -1.110 1.00 0.00 N ATOM 664 CA LEU A 48 -6.179 9.265 -1.644 1.00 0.00 C ATOM 665 C LEU A 48 -7.385 10.105 -1.239 1.00 0.00 C ATOM 666 O LEU A 48 -8.446 9.571 -0.915 1.00 0.00 O ATOM 667 CB LEU A 48 -6.059 9.225 -3.169 1.00 0.00 C ATOM 668 CG LEU A 48 -5.020 8.243 -3.711 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.480 7.657 -5.037 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.672 8.930 -3.870 1.00 0.00 C ATOM 0 H LEU A 48 -7.000 7.336 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.283 9.725 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.032 8.969 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.812 10.225 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.910 7.428 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.728 6.960 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.423 7.130 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.619 8.460 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.944 8.217 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.768 9.764 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.337 9.302 -2.902 1.00 0.00 H new ATOM 682 N ARG A 49 -7.215 11.423 -1.260 1.00 0.00 N ATOM 683 CA ARG A 49 -8.291 12.338 -0.896 1.00 0.00 C ATOM 684 C ARG A 49 -8.982 12.886 -2.140 1.00 0.00 C ATOM 685 O ARG A 49 -9.476 14.013 -2.143 1.00 0.00 O ATOM 686 CB ARG A 49 -7.745 13.492 -0.053 1.00 0.00 C ATOM 687 CG ARG A 49 -6.900 13.037 1.126 1.00 0.00 C ATOM 688 CD ARG A 49 -6.423 14.217 1.957 1.00 0.00 C ATOM 689 NE ARG A 49 -5.410 15.006 1.258 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.129 14.658 1.170 1.00 0.00 C ATOM 691 NH1 ARG A 49 -3.699 13.536 1.736 1.00 0.00 N ATOM 692 NH2 ARG A 49 -3.274 15.433 0.518 1.00 0.00 N ATOM 0 H ARG A 49 -6.343 11.881 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.023 11.783 -0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.146 14.144 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.580 14.087 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.482 12.361 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.040 12.475 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.273 14.854 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.013 13.854 2.900 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.703 15.875 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.352 12.937 2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.716 13.274 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.598 16.297 0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.292 15.165 0.451 1.00 0.00 H new ATOM 706 N SER A 50 -9.014 12.080 -3.196 1.00 0.00 N ATOM 707 CA SER A 50 -9.644 12.484 -4.448 1.00 0.00 C ATOM 708 C SER A 50 -10.090 11.266 -5.250 1.00 0.00 C ATOM 709 O SER A 50 -9.480 10.199 -5.170 1.00 0.00 O ATOM 710 CB SER A 50 -8.679 13.330 -5.280 1.00 0.00 C ATOM 711 OG SER A 50 -7.718 13.967 -4.455 1.00 0.00 O ATOM 0 H SER A 50 -8.611 11.143 -3.210 1.00 0.00 H new ATOM 0 HA SER A 50 -10.524 13.081 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.174 12.698 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.238 14.081 -5.839 1.00 0.00 H new ATOM 0 HG SER A 50 -7.112 14.500 -5.011 1.00 0.00 H new ATOM 717 N ALA A 51 -11.158 11.432 -6.023 1.00 0.00 N ATOM 718 CA ALA A 51 -11.686 10.345 -6.841 1.00 0.00 C ATOM 719 C ALA A 51 -10.717 9.981 -7.960 1.00 0.00 C ATOM 720 O ALA A 51 -10.826 10.487 -9.078 1.00 0.00 O ATOM 721 CB ALA A 51 -13.040 10.730 -7.416 1.00 0.00 C ATOM 0 H ALA A 51 -11.675 12.308 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.810 9.469 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.423 9.911 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.736 10.934 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.933 11.621 -8.034 1.00 0.00 H new ATOM 727 N LYS A 52 -9.771 9.100 -7.654 1.00 0.00 N ATOM 728 CA LYS A 52 -8.782 8.668 -8.635 1.00 0.00 C ATOM 729 C LYS A 52 -8.213 7.300 -8.269 1.00 0.00 C ATOM 730 O LYS A 52 -7.061 6.994 -8.574 1.00 0.00 O ATOM 731 CB LYS A 52 -7.650 9.694 -8.734 1.00 0.00 C ATOM 732 CG LYS A 52 -7.877 10.746 -9.809 1.00 0.00 C ATOM 733 CD LYS A 52 -6.560 11.292 -10.341 1.00 0.00 C ATOM 734 CE LYS A 52 -6.372 12.755 -9.973 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.500 13.599 -10.456 1.00 0.00 N ATOM 0 H LYS A 52 -9.668 8.671 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.277 8.588 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.534 10.190 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.715 9.173 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.450 10.313 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.472 11.563 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.733 10.706 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.531 11.182 -11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.286 12.849 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.437 13.119 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.144 14.544 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.930 13.157 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.215 13.686 -9.705 1.00 0.00 H new ATOM 749 N GLY A 53 -9.029 6.481 -7.613 1.00 0.00 N ATOM 750 CA GLY A 53 -8.590 5.156 -7.217 1.00 0.00 C ATOM 751 C GLY A 53 -9.287 4.057 -7.993 1.00 0.00 C ATOM 752 O GLY A 53 -9.807 4.291 -9.084 1.00 0.00 O ATOM 0 H GLY A 53 -9.987 6.712 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.513 5.074 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.776 5.018 -6.152 1.00 0.00 H new ATOM 756 N LYS A 54 -9.297 2.853 -7.429 1.00 0.00 N ATOM 757 CA LYS A 54 -9.935 1.712 -8.075 1.00 0.00 C ATOM 758 C LYS A 54 -10.574 0.791 -7.041 1.00 0.00 C ATOM 759 O LYS A 54 -10.638 -0.424 -7.231 1.00 0.00 O ATOM 760 CB LYS A 54 -8.915 0.934 -8.908 1.00 0.00 C ATOM 761 CG LYS A 54 -8.646 1.548 -10.271 1.00 0.00 C ATOM 762 CD LYS A 54 -7.218 1.294 -10.726 1.00 0.00 C ATOM 763 CE LYS A 54 -6.774 2.310 -11.765 1.00 0.00 C ATOM 764 NZ LYS A 54 -5.362 2.736 -11.557 1.00 0.00 N ATOM 0 H LYS A 54 -8.871 2.643 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.718 2.089 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.978 0.873 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.272 -0.087 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.341 1.133 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.830 2.622 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.549 1.335 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.141 0.290 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.881 1.881 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.426 3.182 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.098 3.429 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.265 3.169 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.736 1.908 -11.623 1.00 0.00 H new ATOM 778 N ASN A 55 -11.045 1.377 -5.946 1.00 0.00 N ATOM 779 CA ASN A 55 -11.679 0.610 -4.880 1.00 0.00 C ATOM 780 C ASN A 55 -12.451 1.524 -3.936 1.00 0.00 C ATOM 781 O ASN A 55 -12.267 2.742 -3.947 1.00 0.00 O ATOM 782 CB ASN A 55 -10.628 -0.181 -4.098 1.00 0.00 C ATOM 783 CG ASN A 55 -10.416 -1.573 -4.659 1.00 0.00 C ATOM 784 OD1 ASN A 55 -11.374 -2.299 -4.929 1.00 0.00 O ATOM 785 ND2 ASN A 55 -9.157 -1.955 -4.834 1.00 0.00 N ATOM 0 H ASN A 55 -11.000 2.381 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.382 -0.086 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.683 0.362 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.935 -0.256 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.952 -2.883 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.394 -1.321 -4.597 1.00 0.00 H new ATOM 792 N ASP A 56 -13.314 0.931 -3.118 1.00 0.00 N ATOM 793 CA ASP A 56 -14.114 1.693 -2.166 1.00 0.00 C ATOM 794 C ASP A 56 -13.489 1.648 -0.775 1.00 0.00 C ATOM 795 O ASP A 56 -13.615 2.594 0.003 1.00 0.00 O ATOM 796 CB ASP A 56 -15.541 1.146 -2.113 1.00 0.00 C ATOM 797 CG ASP A 56 -16.493 2.085 -1.399 1.00 0.00 C ATOM 798 OD1 ASP A 56 -17.079 2.960 -2.070 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.654 1.945 -0.168 1.00 0.00 O ATOM 0 H ASP A 56 -13.477 -0.076 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.143 2.730 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.899 0.973 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.539 0.181 -1.607 1.00 0.00 H new ATOM 804 N GLY A 57 -12.815 0.545 -0.469 1.00 0.00 N ATOM 805 CA GLY A 57 -12.181 0.397 0.827 1.00 0.00 C ATOM 806 C GLY A 57 -11.829 -1.043 1.142 1.00 0.00 C ATOM 807 O GLY A 57 -10.874 -1.311 1.870 1.00 0.00 O ATOM 0 H GLY A 57 -12.696 -0.250 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.276 1.003 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.847 0.782 1.599 1.00 0.00 H new ATOM 811 N ALA A 58 -12.604 -1.973 0.592 1.00 0.00 N ATOM 812 CA ALA A 58 -12.369 -3.394 0.818 1.00 0.00 C ATOM 813 C ALA A 58 -12.185 -4.137 -0.501 1.00 0.00 C ATOM 814 O ALA A 58 -12.660 -3.693 -1.547 1.00 0.00 O ATOM 815 CB ALA A 58 -13.520 -3.998 1.611 1.00 0.00 C ATOM 0 H ALA A 58 -13.399 -1.768 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.450 -3.499 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.333 -5.059 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.603 -3.493 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.449 -3.874 1.055 1.00 0.00 H new ATOM 821 N VAL A 59 -11.495 -5.271 -0.444 1.00 0.00 N ATOM 822 CA VAL A 59 -11.249 -6.077 -1.634 1.00 0.00 C ATOM 823 C VAL A 59 -11.321 -7.565 -1.313 1.00 0.00 C ATOM 824 O VAL A 59 -10.371 -8.144 -0.785 1.00 0.00 O ATOM 825 CB VAL A 59 -9.872 -5.763 -2.251 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.717 -6.461 -3.594 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.681 -4.261 -2.396 1.00 0.00 C ATOM 0 H VAL A 59 -11.096 -5.653 0.414 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.028 -5.824 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.099 -6.140 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.739 -6.228 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.805 -7.539 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.496 -6.117 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.703 -4.059 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.459 -3.856 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.744 -3.790 -1.415 1.00 0.00 H new ATOM 837 N GLY A 60 -12.455 -8.181 -1.634 1.00 0.00 N ATOM 838 CA GLY A 60 -12.630 -9.597 -1.372 1.00 0.00 C ATOM 839 C GLY A 60 -13.221 -9.865 -0.002 1.00 0.00 C ATOM 840 O GLY A 60 -14.266 -9.318 0.347 1.00 0.00 O ATOM 0 H GLY A 60 -13.255 -7.724 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.279 -10.027 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.666 -10.100 -1.453 1.00 0.00 H new ATOM 844 N ASP A 61 -12.550 -10.709 0.775 1.00 0.00 N ATOM 845 CA ASP A 61 -13.016 -11.049 2.115 1.00 0.00 C ATOM 846 C ASP A 61 -12.102 -10.448 3.179 1.00 0.00 C ATOM 847 O ASP A 61 -11.952 -11.005 4.267 1.00 0.00 O ATOM 848 CB ASP A 61 -13.083 -12.568 2.283 1.00 0.00 C ATOM 849 CG ASP A 61 -14.227 -13.185 1.502 1.00 0.00 C ATOM 850 OD1 ASP A 61 -14.098 -13.322 0.268 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.253 -13.532 2.126 1.00 0.00 O ATOM 0 H ASP A 61 -11.682 -11.170 0.500 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.015 -10.631 2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.142 -13.009 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.196 -12.810 3.340 1.00 0.00 H new ATOM 856 N LYS A 62 -11.496 -9.309 2.859 1.00 0.00 N ATOM 857 CA LYS A 62 -10.598 -8.635 3.788 1.00 0.00 C ATOM 858 C LYS A 62 -10.682 -7.121 3.625 1.00 0.00 C ATOM 859 O LYS A 62 -11.118 -6.622 2.587 1.00 0.00 O ATOM 860 CB LYS A 62 -9.157 -9.109 3.573 1.00 0.00 C ATOM 861 CG LYS A 62 -8.520 -9.700 4.820 1.00 0.00 C ATOM 862 CD LYS A 62 -7.037 -9.965 4.615 1.00 0.00 C ATOM 863 CE LYS A 62 -6.419 -10.639 5.829 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.304 -12.112 5.650 1.00 0.00 N ATOM 0 H LYS A 62 -11.611 -8.834 1.964 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.907 -8.888 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.143 -9.856 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.554 -8.268 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.656 -9.017 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.024 -10.630 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.897 -10.595 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.522 -9.025 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.431 -10.218 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.025 -10.427 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.878 -12.533 6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.249 -12.518 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.704 -12.316 4.825 1.00 0.00 H new ATOM 878 N ARG A 63 -10.263 -6.395 4.656 1.00 0.00 N ATOM 879 CA ARG A 63 -10.291 -4.937 4.627 1.00 0.00 C ATOM 880 C ARG A 63 -8.880 -4.366 4.516 1.00 0.00 C ATOM 881 O ARG A 63 -7.902 -5.035 4.851 1.00 0.00 O ATOM 882 CB ARG A 63 -10.979 -4.396 5.883 1.00 0.00 C ATOM 883 CG ARG A 63 -12.014 -3.321 5.595 1.00 0.00 C ATOM 884 CD ARG A 63 -13.424 -3.892 5.575 1.00 0.00 C ATOM 885 NE ARG A 63 -14.321 -3.168 6.472 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.360 -3.353 7.790 1.00 0.00 C ATOM 887 NH1 ARG A 63 -13.556 -4.236 8.367 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.205 -2.651 8.533 1.00 0.00 N ATOM 0 H ARG A 63 -9.900 -6.792 5.522 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.857 -4.626 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.461 -5.221 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.223 -3.990 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.948 -2.540 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.796 -2.854 4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.817 -3.851 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.394 -4.943 5.863 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.955 -2.480 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.903 -4.778 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.590 -4.373 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.825 -1.970 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.235 -2.792 9.543 1.00 0.00 H new ATOM 902 N TYR A 64 -8.784 -3.128 4.046 1.00 0.00 N ATOM 903 CA TYR A 64 -7.493 -2.468 3.890 1.00 0.00 C ATOM 904 C TYR A 64 -7.552 -1.030 4.395 1.00 0.00 C ATOM 905 O TYR A 64 -6.799 -0.643 5.289 1.00 0.00 O ATOM 906 CB TYR A 64 -7.058 -2.488 2.424 1.00 0.00 C ATOM 907 CG TYR A 64 -6.788 -3.876 1.890 1.00 0.00 C ATOM 908 CD1 TYR A 64 -7.832 -4.713 1.518 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.488 -4.351 1.759 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.589 -5.983 1.030 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.237 -5.619 1.272 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.290 -6.432 0.908 1.00 0.00 C ATOM 913 OH TYR A 64 -6.045 -7.695 0.422 1.00 0.00 O ATOM 0 H TYR A 64 -9.584 -2.561 3.766 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.761 -3.014 4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.833 -2.019 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.158 -1.884 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.850 -4.366 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.660 -3.718 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.412 -6.621 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.221 -5.972 1.177 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.036 -7.673 -0.558 1.00 0.00 H new ATOM 923 N PHE A 65 -8.452 -0.241 3.816 1.00 0.00 N ATOM 924 CA PHE A 65 -8.608 1.155 4.207 1.00 0.00 C ATOM 925 C PHE A 65 -10.080 1.555 4.224 1.00 0.00 C ATOM 926 O PHE A 65 -10.957 0.744 3.929 1.00 0.00 O ATOM 927 CB PHE A 65 -7.832 2.064 3.252 1.00 0.00 C ATOM 928 CG PHE A 65 -8.048 1.736 1.803 1.00 0.00 C ATOM 929 CD1 PHE A 65 -9.079 2.329 1.091 1.00 0.00 C ATOM 930 CD2 PHE A 65 -7.220 0.835 1.152 1.00 0.00 C ATOM 931 CE1 PHE A 65 -9.280 2.029 -0.243 1.00 0.00 C ATOM 932 CE2 PHE A 65 -7.417 0.531 -0.182 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.448 1.129 -0.881 1.00 0.00 C ATOM 0 H PHE A 65 -9.084 -0.545 3.075 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.207 1.270 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.125 3.099 3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.768 1.991 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.732 3.033 1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.412 0.365 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.087 2.498 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.765 -0.173 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.603 0.894 -1.924 1.00 0.00 H new ATOM 943 N THR A 66 -10.341 2.812 4.570 1.00 0.00 N ATOM 944 CA THR A 66 -11.707 3.320 4.625 1.00 0.00 C ATOM 945 C THR A 66 -11.798 4.703 3.986 1.00 0.00 C ATOM 946 O THR A 66 -11.422 5.705 4.595 1.00 0.00 O ATOM 947 CB THR A 66 -12.193 3.383 6.074 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.618 2.339 6.841 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.696 3.276 6.207 1.00 0.00 C ATOM 0 H THR A 66 -9.626 3.496 4.816 1.00 0.00 H new ATOM 0 HA THR A 66 -12.345 2.636 4.065 1.00 0.00 H new ATOM 0 HB THR A 66 -11.882 4.361 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.939 2.397 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.973 3.328 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.168 4.097 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.031 2.326 5.790 1.00 0.00 H new ATOM 957 N CYS A 67 -12.300 4.749 2.757 1.00 0.00 N ATOM 958 CA CYS A 67 -12.441 6.008 2.036 1.00 0.00 C ATOM 959 C CYS A 67 -13.689 5.994 1.158 1.00 0.00 C ATOM 960 O CYS A 67 -14.453 5.030 1.164 1.00 0.00 O ATOM 961 CB CYS A 67 -11.203 6.270 1.177 1.00 0.00 C ATOM 962 SG CYS A 67 -10.837 4.957 -0.010 1.00 0.00 S ATOM 0 H CYS A 67 -12.616 3.929 2.239 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.542 6.808 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.341 7.206 0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.342 6.404 1.831 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.859 4.227 0.438 1.00 0.00 H new ATOM 968 N LYS A 68 -13.889 7.072 0.407 1.00 0.00 N ATOM 969 CA LYS A 68 -15.045 7.185 -0.477 1.00 0.00 C ATOM 970 C LYS A 68 -14.876 6.299 -1.710 1.00 0.00 C ATOM 971 O LYS A 68 -13.788 5.787 -1.972 1.00 0.00 O ATOM 972 CB LYS A 68 -15.248 8.640 -0.901 1.00 0.00 C ATOM 973 CG LYS A 68 -16.198 9.410 0.001 1.00 0.00 C ATOM 974 CD LYS A 68 -16.447 10.816 -0.521 1.00 0.00 C ATOM 975 CE LYS A 68 -15.232 11.707 -0.325 1.00 0.00 C ATOM 976 NZ LYS A 68 -15.371 13.004 -1.044 1.00 0.00 N ATOM 0 H LYS A 68 -13.266 7.880 0.392 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.925 6.849 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.282 9.145 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.631 8.662 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.145 8.875 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.783 9.463 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.700 10.772 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.304 11.250 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.088 11.896 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.341 11.189 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.981 13.769 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.853 12.959 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.377 13.190 -1.232 1.00 0.00 H new ATOM 990 N PRO A 69 -15.958 6.107 -2.486 1.00 0.00 N ATOM 991 CA PRO A 69 -15.923 5.278 -3.697 1.00 0.00 C ATOM 992 C PRO A 69 -14.829 5.715 -4.665 1.00 0.00 C ATOM 993 O PRO A 69 -14.795 6.866 -5.101 1.00 0.00 O ATOM 994 CB PRO A 69 -17.305 5.495 -4.319 1.00 0.00 C ATOM 995 CG PRO A 69 -18.176 5.903 -3.182 1.00 0.00 C ATOM 996 CD PRO A 69 -17.294 6.680 -2.246 1.00 0.00 C ATOM 0 HA PRO A 69 -15.703 4.235 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.275 6.265 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.673 4.584 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.011 6.512 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.602 5.032 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.319 7.748 -2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.603 6.559 -1.208 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.937 4.788 -4.998 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.841 5.076 -5.917 1.00 0.00 C ATOM 1006 C ASN A 70 -11.941 6.176 -5.363 1.00 0.00 C ATOM 1007 O ASN A 70 -11.822 7.252 -5.951 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.390 5.485 -7.285 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.515 4.309 -8.233 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.898 3.210 -7.831 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.191 4.534 -9.502 1.00 0.00 N ATOM 0 H ASN A 70 -13.951 3.831 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.245 4.170 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.367 5.950 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.735 6.236 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.255 3.780 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.878 5.461 -9.792 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.306 5.899 -4.229 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.415 6.865 -3.596 1.00 0.00 C ATOM 1020 C TYR A 71 -9.066 6.230 -3.273 1.00 0.00 C ATOM 1021 O TYR A 71 -8.014 6.814 -3.533 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.050 7.417 -2.318 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.813 8.706 -2.528 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.863 8.774 -3.435 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.483 9.854 -1.819 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.561 9.951 -3.630 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.176 11.034 -2.008 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.215 11.077 -2.914 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.908 12.250 -3.105 1.00 0.00 O ATOM 0 H TYR A 71 -11.392 5.014 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.253 7.685 -4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.726 6.668 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.268 7.584 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.138 7.893 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.671 9.824 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.374 9.988 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.906 11.918 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.607 12.111 -3.778 1.00 0.00 H new ATOM 1039 N GLY A 72 -9.105 5.028 -2.706 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.880 4.332 -2.359 1.00 0.00 C ATOM 1041 C GLY A 72 -7.545 3.224 -3.337 1.00 0.00 C ATOM 1042 O GLY A 72 -8.435 2.655 -3.970 1.00 0.00 O ATOM 0 H GLY A 72 -9.963 4.524 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.057 5.046 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.976 3.912 -1.358 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.259 2.916 -3.462 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.808 1.869 -4.370 1.00 0.00 C ATOM 1048 C VAL A 73 -4.891 0.880 -3.658 1.00 0.00 C ATOM 1049 O VAL A 73 -4.545 1.067 -2.492 1.00 0.00 O ATOM 1050 CB VAL A 73 -5.066 2.458 -5.584 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -6.044 3.130 -6.535 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.994 3.438 -5.129 1.00 0.00 C ATOM 0 H VAL A 73 -5.510 3.377 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.700 1.348 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.579 1.643 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.500 3.540 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.771 2.398 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.563 3.935 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.480 3.845 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.458 4.250 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.276 2.922 -4.492 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.500 -0.174 -4.368 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.622 -1.193 -3.805 1.00 0.00 C ATOM 1064 C LEU A 74 -2.389 -1.392 -4.680 1.00 0.00 C ATOM 1065 O LEU A 74 -2.499 -1.599 -5.887 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.375 -2.518 -3.655 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.394 -2.558 -2.515 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.607 -3.385 -2.911 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.754 -3.113 -1.251 1.00 0.00 C ATOM 0 H LEU A 74 -4.778 -0.344 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.296 -0.854 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.891 -2.733 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.649 -3.316 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.727 -1.540 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.321 -3.402 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.077 -2.943 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.294 -4.404 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.492 -3.135 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.393 -4.124 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.918 -2.478 -0.957 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.214 -1.324 -4.061 1.00 0.00 N ATOM 1082 CA VAL A 75 0.041 -1.496 -4.783 1.00 0.00 C ATOM 1083 C VAL A 75 1.077 -2.213 -3.923 1.00 0.00 C ATOM 1084 O VAL A 75 0.874 -2.409 -2.725 1.00 0.00 O ATOM 1085 CB VAL A 75 0.617 -0.143 -5.238 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.252 0.471 -6.324 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.753 0.804 -4.054 1.00 0.00 C ATOM 0 H VAL A 75 -1.105 -1.151 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.181 -2.102 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 75 1.610 -0.313 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.172 1.427 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.292 -0.201 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.259 0.628 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.162 1.755 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.227 0.969 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.422 0.366 -3.313 1.00 0.00 H new ATOM 1097 N ARG A 76 2.186 -2.601 -4.543 1.00 0.00 N ATOM 1098 CA ARG A 76 3.254 -3.297 -3.834 1.00 0.00 C ATOM 1099 C ARG A 76 4.465 -2.386 -3.644 1.00 0.00 C ATOM 1100 O ARG A 76 4.676 -1.451 -4.413 1.00 0.00 O ATOM 1101 CB ARG A 76 3.665 -4.560 -4.593 1.00 0.00 C ATOM 1102 CG ARG A 76 2.489 -5.348 -5.147 1.00 0.00 C ATOM 1103 CD ARG A 76 2.953 -6.466 -6.069 1.00 0.00 C ATOM 1104 NE ARG A 76 3.044 -6.026 -7.459 1.00 0.00 N ATOM 1105 CZ ARG A 76 3.750 -6.661 -8.393 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.426 -7.762 -8.090 1.00 0.00 N ATOM 1107 NH2 ARG A 76 3.778 -6.193 -9.633 1.00 0.00 N ATOM 0 H ARG A 76 2.369 -2.446 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 76 2.877 -3.581 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.324 -4.281 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.241 -5.203 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.912 -5.769 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.824 -4.677 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.927 -6.828 -5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.261 -7.305 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 76 2.537 -5.183 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.407 -8.126 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.965 -8.244 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.259 -5.348 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.318 -6.678 -10.349 1.00 0.00 H new ATOM 1121 N PRO A 77 5.281 -2.652 -2.605 1.00 0.00 N ATOM 1122 CA PRO A 77 6.476 -1.856 -2.317 1.00 0.00 C ATOM 1123 C PRO A 77 7.273 -1.570 -3.580 1.00 0.00 C ATOM 1124 O PRO A 77 7.534 -0.419 -3.921 1.00 0.00 O ATOM 1125 CB PRO A 77 7.268 -2.753 -1.368 1.00 0.00 C ATOM 1126 CG PRO A 77 6.230 -3.550 -0.655 1.00 0.00 C ATOM 1127 CD PRO A 77 5.102 -3.751 -1.635 1.00 0.00 C ATOM 0 HA PRO A 77 6.241 -0.878 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.958 -3.397 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.865 -2.165 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.634 -4.507 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.882 -3.027 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.161 -4.726 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.130 -3.697 -1.144 1.00 0.00 H new ATOM 1135 N SER A 78 7.637 -2.640 -4.282 1.00 0.00 N ATOM 1136 CA SER A 78 8.384 -2.517 -5.523 1.00 0.00 C ATOM 1137 C SER A 78 7.625 -1.620 -6.492 1.00 0.00 C ATOM 1138 O SER A 78 8.215 -1.019 -7.391 1.00 0.00 O ATOM 1139 CB SER A 78 8.615 -3.894 -6.148 1.00 0.00 C ATOM 1140 OG SER A 78 9.788 -4.498 -5.631 1.00 0.00 O ATOM 0 H SER A 78 7.425 -3.600 -4.010 1.00 0.00 H new ATOM 0 HA SER A 78 9.355 -2.071 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.755 -4.535 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.699 -3.796 -7.230 1.00 0.00 H new ATOM 0 HG SER A 78 9.913 -5.378 -6.045 1.00 0.00 H new ATOM 1146 N ARG A 79 6.311 -1.523 -6.293 1.00 0.00 N ATOM 1147 CA ARG A 79 5.477 -0.684 -7.139 1.00 0.00 C ATOM 1148 C ARG A 79 5.433 0.743 -6.601 1.00 0.00 C ATOM 1149 O ARG A 79 4.975 1.657 -7.287 1.00 0.00 O ATOM 1150 CB ARG A 79 4.061 -1.255 -7.231 1.00 0.00 C ATOM 1151 CG ARG A 79 4.024 -2.739 -7.560 1.00 0.00 C ATOM 1152 CD ARG A 79 4.221 -2.987 -9.047 1.00 0.00 C ATOM 1153 NE ARG A 79 2.982 -2.799 -9.804 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.635 -1.657 -10.397 1.00 0.00 C ATOM 1155 NH1 ARG A 79 3.422 -0.592 -10.326 1.00 0.00 N ATOM 1156 NH2 ARG A 79 1.490 -1.584 -11.063 1.00 0.00 N ATOM 0 H ARG A 79 5.807 -2.015 -5.555 1.00 0.00 H new ATOM 0 HA ARG A 79 5.913 -0.667 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.549 -1.088 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.506 -0.708 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.801 -3.256 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.069 -3.159 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.985 -2.310 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.589 -4.002 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 79 2.345 -3.591 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.303 -0.642 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.147 0.277 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.880 -2.399 -11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.220 -0.712 -11.519 1.00 0.00 H new ATOM 1170 N VAL A 80 5.914 0.937 -5.369 1.00 0.00 N ATOM 1171 CA VAL A 80 5.922 2.265 -4.764 1.00 0.00 C ATOM 1172 C VAL A 80 7.333 2.680 -4.357 1.00 0.00 C ATOM 1173 O VAL A 80 8.013 1.970 -3.619 1.00 0.00 O ATOM 1174 CB VAL A 80 5.003 2.336 -3.530 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.542 2.307 -3.950 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.310 1.201 -2.567 1.00 0.00 C ATOM 0 H VAL A 80 6.298 0.198 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 80 5.548 2.952 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 80 5.191 3.278 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.908 2.358 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.332 3.159 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.337 1.383 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.650 1.269 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.153 0.246 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.347 1.273 -2.239 1.00 0.00 H new ATOM 1186 N THR A 81 7.765 3.837 -4.847 1.00 0.00 N ATOM 1187 CA THR A 81 9.094 4.350 -4.536 1.00 0.00 C ATOM 1188 C THR A 81 9.068 5.197 -3.269 1.00 0.00 C ATOM 1189 O THR A 81 8.330 6.178 -3.179 1.00 0.00 O ATOM 1190 CB THR A 81 9.629 5.179 -5.706 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.287 4.580 -6.943 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.133 5.349 -5.679 1.00 0.00 C ATOM 0 H THR A 81 7.214 4.437 -5.461 1.00 0.00 H new ATOM 0 HA THR A 81 9.755 3.499 -4.369 1.00 0.00 H new ATOM 0 HB THR A 81 9.166 6.160 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.636 5.126 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.447 5.946 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.426 5.853 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.611 4.370 -5.724 1.00 0.00 H new ATOM 1200 N TYR A 82 9.881 4.811 -2.290 1.00 0.00 N ATOM 1201 CA TYR A 82 9.953 5.536 -1.026 1.00 0.00 C ATOM 1202 C TYR A 82 11.402 5.803 -0.634 1.00 0.00 C ATOM 1203 O TYR A 82 11.960 5.118 0.223 1.00 0.00 O ATOM 1204 CB TYR A 82 9.250 4.745 0.078 1.00 0.00 C ATOM 1205 CG TYR A 82 9.227 5.456 1.413 1.00 0.00 C ATOM 1206 CD1 TYR A 82 8.845 6.788 1.504 1.00 0.00 C ATOM 1207 CD2 TYR A 82 9.587 4.795 2.580 1.00 0.00 C ATOM 1208 CE1 TYR A 82 8.824 7.443 2.722 1.00 0.00 C ATOM 1209 CE2 TYR A 82 9.567 5.441 3.802 1.00 0.00 C ATOM 1210 CZ TYR A 82 9.185 6.765 3.867 1.00 0.00 C ATOM 1211 OH TYR A 82 9.164 7.412 5.081 1.00 0.00 O ATOM 0 H TYR A 82 10.498 4.001 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 82 9.449 6.494 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.226 4.538 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.748 3.783 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.560 7.321 0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.888 3.759 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.526 8.480 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.849 4.912 4.701 1.00 0.00 H new ATOM 0 HH TYR A 82 9.445 6.793 5.787 1.00 0.00 H new ATOM 1221 N ARG A 83 12.005 6.803 -1.267 1.00 0.00 N ATOM 1222 CA ARG A 83 13.391 7.161 -0.985 1.00 0.00 C ATOM 1223 C ARG A 83 13.463 8.373 -0.062 1.00 0.00 C ATOM 1224 O ARG A 83 12.701 9.329 -0.214 1.00 0.00 O ATOM 1225 CB ARG A 83 14.140 7.453 -2.287 1.00 0.00 C ATOM 1226 CG ARG A 83 14.473 6.206 -3.089 1.00 0.00 C ATOM 1227 CD ARG A 83 14.350 6.453 -4.584 1.00 0.00 C ATOM 1228 NE ARG A 83 15.453 5.856 -5.332 1.00 0.00 N ATOM 1229 CZ ARG A 83 15.532 4.561 -5.630 1.00 0.00 C ATOM 1230 NH1 ARG A 83 14.575 3.725 -5.245 1.00 0.00 N ATOM 1231 NH2 ARG A 83 16.570 4.100 -6.313 1.00 0.00 N ATOM 0 H ARG A 83 11.557 7.380 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 83 13.863 6.316 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.536 8.120 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.064 7.983 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.487 5.882 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.805 5.396 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.406 6.043 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.324 7.526 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 83 16.207 6.467 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.774 4.074 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.640 2.734 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.309 4.738 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.630 3.108 -6.541 1.00 0.00 H new ATOM 1245 N GLY A 84 14.384 8.328 0.896 1.00 0.00 N ATOM 1246 CA GLY A 84 14.539 9.427 1.830 1.00 0.00 C ATOM 1247 C GLY A 84 15.874 10.131 1.679 1.00 0.00 C ATOM 1248 O GLY A 84 16.284 10.468 0.569 1.00 0.00 O ATOM 0 H GLY A 84 15.026 7.549 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.733 10.145 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.443 9.051 2.849 1.00 0.00 H new ATOM 1252 N ILE A 85 16.553 10.352 2.801 1.00 0.00 N ATOM 1253 CA ILE A 85 17.851 11.019 2.795 1.00 0.00 C ATOM 1254 C ILE A 85 17.714 12.489 2.412 1.00 0.00 C ATOM 1255 O ILE A 85 17.940 13.378 3.233 1.00 0.00 O ATOM 1256 CB ILE A 85 18.835 10.336 1.823 1.00 0.00 C ATOM 1257 CG1 ILE A 85 18.852 8.825 2.060 1.00 0.00 C ATOM 1258 CG2 ILE A 85 20.230 10.920 1.983 1.00 0.00 C ATOM 1259 CD1 ILE A 85 19.376 8.433 3.425 1.00 0.00 C ATOM 0 H ILE A 85 16.225 10.078 3.727 1.00 0.00 H new ATOM 0 HA ILE A 85 18.245 10.945 3.808 1.00 0.00 H new ATOM 0 HB ILE A 85 18.502 10.521 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.841 8.436 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.467 8.352 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 85 20.912 10.427 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.204 11.988 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.575 10.763 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.359 7.348 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.399 8.792 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.748 8.877 4.197 1.00 0.00 H new ATOM 1271 N SER A 86 17.343 12.739 1.161 1.00 0.00 N ATOM 1272 CA SER A 86 17.176 14.102 0.670 1.00 0.00 C ATOM 1273 C SER A 86 18.494 14.869 0.736 1.00 0.00 C ATOM 1274 O SER A 86 19.350 14.580 1.572 1.00 0.00 O ATOM 1275 CB SER A 86 16.106 14.833 1.483 1.00 0.00 C ATOM 1276 OG SER A 86 14.827 14.685 0.892 1.00 0.00 O ATOM 0 H SER A 86 17.152 12.015 0.468 1.00 0.00 H new ATOM 0 HA SER A 86 16.858 14.050 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.087 14.442 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.358 15.891 1.553 1.00 0.00 H new ATOM 0 HG SER A 86 14.161 15.160 1.431 1.00 0.00 H new ATOM 1282 N GLY A 87 18.648 15.847 -0.150 1.00 0.00 N ATOM 1283 CA GLY A 87 19.863 16.639 -0.176 1.00 0.00 C ATOM 1284 C GLY A 87 19.717 17.900 -1.008 1.00 0.00 C ATOM 1285 O GLY A 87 20.222 17.966 -2.129 1.00 0.00 O ATOM 0 H GLY A 87 17.953 16.105 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.138 16.910 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.678 16.036 -0.576 1.00 0.00 H new ATOM 1289 N PRO A 88 19.028 18.927 -0.482 1.00 0.00 N ATOM 1290 CA PRO A 88 18.824 20.191 -1.196 1.00 0.00 C ATOM 1291 C PRO A 88 20.111 21.003 -1.314 1.00 0.00 C ATOM 1292 O PRO A 88 20.903 21.067 -0.375 1.00 0.00 O ATOM 1293 CB PRO A 88 17.805 20.929 -0.328 1.00 0.00 C ATOM 1294 CG PRO A 88 17.998 20.372 1.040 1.00 0.00 C ATOM 1295 CD PRO A 88 18.393 18.934 0.850 1.00 0.00 C ATOM 0 HA PRO A 88 18.493 20.031 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.976 22.005 -0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.788 20.763 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.770 20.921 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.082 20.451 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 88 19.083 18.601 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.528 18.272 0.886 1.00 0.00 H new ATOM 1303 N SER A 89 20.310 21.621 -2.474 1.00 0.00 N ATOM 1304 CA SER A 89 21.499 22.429 -2.715 1.00 0.00 C ATOM 1305 C SER A 89 21.124 23.798 -3.272 1.00 0.00 C ATOM 1306 O SER A 89 20.254 23.911 -4.136 1.00 0.00 O ATOM 1307 CB SER A 89 22.441 21.711 -3.684 1.00 0.00 C ATOM 1308 OG SER A 89 21.722 21.135 -4.760 1.00 0.00 O ATOM 0 H SER A 89 19.663 21.577 -3.261 1.00 0.00 H new ATOM 0 HA SER A 89 22.009 22.573 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.177 22.416 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 89 22.991 20.934 -3.153 1.00 0.00 H new ATOM 0 HG SER A 89 22.346 20.684 -5.366 1.00 0.00 H new ATOM 1314 N SER A 90 21.785 24.837 -2.771 1.00 0.00 N ATOM 1315 CA SER A 90 21.520 26.199 -3.219 1.00 0.00 C ATOM 1316 C SER A 90 20.070 26.589 -2.948 1.00 0.00 C ATOM 1317 O SER A 90 19.226 26.537 -3.843 1.00 0.00 O ATOM 1318 CB SER A 90 21.828 26.336 -4.712 1.00 0.00 C ATOM 1319 OG SER A 90 23.068 25.733 -5.035 1.00 0.00 O ATOM 0 H SER A 90 22.508 24.761 -2.055 1.00 0.00 H new ATOM 0 HA SER A 90 22.168 26.872 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 90 21.032 25.872 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 90 21.851 27.391 -4.986 1.00 0.00 H new ATOM 0 HG SER A 90 23.240 25.833 -5.995 1.00 0.00 H new ATOM 1325 N GLY A 91 19.790 26.979 -1.710 1.00 0.00 N ATOM 1326 CA GLY A 91 18.441 27.371 -1.344 1.00 0.00 C ATOM 1327 C GLY A 91 18.414 28.316 -0.159 1.00 0.00 C ATOM 1328 O GLY A 91 19.264 28.161 0.743 1.00 0.00 O ATOM 1329 OXT GLY A 91 17.543 29.211 -0.133 1.00 0.00 O ATOM 0 H GLY A 91 20.472 27.031 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.961 27.849 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.858 26.480 -1.108 1.00 0.00 H new TER 1333 GLY A 91