USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 29 HIS : no HD1:sc= 1.01 K(o=2.3,f=-5.6!) USER MOD Set 1.2: A 38 SER OG : rot -119:sc= 1.31 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 TYR OH : rot -134:sc= 0.276 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -115:sc= 0.00696 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -102:sc= 0.164 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -136:sc= -0.267 (180deg=-2.79!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.141 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.694 -1.028 21.186 1.00 0.00 N ATOM 2 CA ALA A 1 -17.748 0.103 21.341 1.00 0.00 C ATOM 3 C ALA A 1 -16.362 -0.416 21.746 1.00 0.00 C ATOM 4 O ALA A 1 -16.141 -0.797 22.898 1.00 0.00 O ATOM 5 CB ALA A 1 -18.286 1.156 22.329 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.629 -0.664 20.912 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.345 -1.674 20.450 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.773 -1.540 22.088 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.647 0.605 20.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.568 1.971 22.419 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.235 1.547 21.963 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.436 0.695 23.305 1.00 0.00 H new ATOM 13 N GLY A 2 -15.430 -0.473 20.789 1.00 0.00 N ATOM 14 CA GLY A 2 -14.078 -1.021 20.965 1.00 0.00 C ATOM 15 C GLY A 2 -13.130 -0.549 19.863 1.00 0.00 C ATOM 16 O GLY A 2 -13.313 -0.910 18.698 1.00 0.00 O ATOM 0 H GLY A 2 -15.599 -0.130 19.843 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.686 -0.719 21.936 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.124 -2.110 20.964 1.00 0.00 H new ATOM 20 N HIS A 3 -12.132 0.271 20.217 1.00 0.00 N ATOM 21 CA HIS A 3 -11.088 0.776 19.306 1.00 0.00 C ATOM 22 C HIS A 3 -10.337 -0.381 18.625 1.00 0.00 C ATOM 23 O HIS A 3 -9.557 -1.089 19.268 1.00 0.00 O ATOM 24 CB HIS A 3 -10.134 1.734 20.057 1.00 0.00 C ATOM 25 CG HIS A 3 -10.151 3.143 19.515 1.00 0.00 C ATOM 26 ND1 HIS A 3 -9.495 3.586 18.379 1.00 0.00 N ATOM 27 CD2 HIS A 3 -10.803 4.207 20.075 1.00 0.00 C ATOM 28 CE1 HIS A 3 -9.748 4.906 18.251 1.00 0.00 C ATOM 29 NE2 HIS A 3 -10.540 5.305 19.271 1.00 0.00 N ATOM 0 H HIS A 3 -12.023 0.613 21.172 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.566 1.348 18.511 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.408 1.755 21.112 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.118 1.343 19.999 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.406 4.194 20.971 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.377 5.541 17.460 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.885 6.253 19.423 1.00 0.00 H new ATOM 38 N MET A 4 -10.582 -0.584 17.329 1.00 0.00 N ATOM 39 CA MET A 4 -9.999 -1.652 16.506 1.00 0.00 C ATOM 40 C MET A 4 -9.568 -1.101 15.138 1.00 0.00 C ATOM 41 O MET A 4 -10.226 -0.216 14.585 1.00 0.00 O ATOM 42 CB MET A 4 -11.031 -2.785 16.348 1.00 0.00 C ATOM 43 CG MET A 4 -10.368 -4.109 15.954 1.00 0.00 C ATOM 44 SD MET A 4 -11.532 -5.455 15.605 1.00 0.00 S ATOM 45 CE MET A 4 -10.364 -6.842 15.520 1.00 0.00 C ATOM 0 H MET A 4 -11.217 0.014 16.800 1.00 0.00 H new ATOM 0 HA MET A 4 -9.109 -2.048 16.996 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.574 -2.915 17.284 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.764 -2.506 15.591 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.749 -3.943 15.073 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.701 -4.421 16.758 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.908 -7.763 15.310 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.640 -6.660 14.726 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.842 -6.937 16.472 1.00 0.00 H new ATOM 55 N GLN A 5 -8.467 -1.621 14.590 1.00 0.00 N ATOM 56 CA GLN A 5 -7.970 -1.258 13.258 1.00 0.00 C ATOM 57 C GLN A 5 -8.531 -2.226 12.200 1.00 0.00 C ATOM 58 O GLN A 5 -8.448 -3.446 12.358 1.00 0.00 O ATOM 59 CB GLN A 5 -6.429 -1.236 13.231 1.00 0.00 C ATOM 60 CG GLN A 5 -5.778 -0.419 14.366 1.00 0.00 C ATOM 61 CD GLN A 5 -5.358 -1.294 15.550 1.00 0.00 C ATOM 62 OE1 GLN A 5 -4.421 -2.080 15.475 1.00 0.00 O ATOM 63 NE2 GLN A 5 -6.014 -1.206 16.689 1.00 0.00 N ATOM 0 H GLN A 5 -7.888 -2.314 15.063 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.316 -0.252 13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.063 -2.261 13.283 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.101 -0.829 12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.905 0.105 13.978 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.479 0.341 14.711 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.798 -0.559 16.777 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.738 -1.784 17.482 1.00 0.00 H new ATOM 72 N THR A 6 -9.086 -1.684 11.115 1.00 0.00 N ATOM 73 CA THR A 6 -9.648 -2.427 9.969 1.00 0.00 C ATOM 74 C THR A 6 -9.183 -1.844 8.636 1.00 0.00 C ATOM 75 O THR A 6 -8.746 -0.691 8.562 1.00 0.00 O ATOM 76 CB THR A 6 -11.197 -2.469 9.983 1.00 0.00 C ATOM 77 OG1 THR A 6 -11.780 -1.365 10.654 1.00 0.00 O ATOM 78 CG2 THR A 6 -11.713 -3.742 10.650 1.00 0.00 C ATOM 0 H THR A 6 -9.163 -0.674 10.999 1.00 0.00 H new ATOM 0 HA THR A 6 -9.274 -3.446 10.073 1.00 0.00 H new ATOM 0 HB THR A 6 -11.489 -2.437 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.756 -1.445 10.629 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.803 -3.740 10.643 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.348 -4.612 10.104 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.357 -3.784 11.679 1.00 0.00 H new ATOM 86 N SER A 7 -9.290 -2.638 7.567 1.00 0.00 N ATOM 87 CA SER A 7 -8.975 -2.192 6.206 1.00 0.00 C ATOM 88 C SER A 7 -10.101 -1.359 5.582 1.00 0.00 C ATOM 89 O SER A 7 -11.275 -1.489 5.944 1.00 0.00 O ATOM 90 CB SER A 7 -8.676 -3.407 5.319 1.00 0.00 C ATOM 91 OG SER A 7 -8.000 -3.010 4.137 1.00 0.00 O ATOM 0 H SER A 7 -9.598 -3.609 7.620 1.00 0.00 H new ATOM 0 HA SER A 7 -8.098 -1.549 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.067 -4.124 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.606 -3.912 5.060 1.00 0.00 H new ATOM 0 HG SER A 7 -7.816 -3.798 3.585 1.00 0.00 H new ATOM 97 N PHE A 8 -9.736 -0.523 4.612 1.00 0.00 N ATOM 98 CA PHE A 8 -10.630 0.300 3.794 1.00 0.00 C ATOM 99 C PHE A 8 -10.211 0.186 2.318 1.00 0.00 C ATOM 100 O PHE A 8 -9.077 -0.188 1.998 1.00 0.00 O ATOM 101 CB PHE A 8 -10.635 1.758 4.298 1.00 0.00 C ATOM 102 CG PHE A 8 -11.611 2.681 3.575 1.00 0.00 C ATOM 103 CD1 PHE A 8 -13.001 2.484 3.694 1.00 0.00 C ATOM 104 CD2 PHE A 8 -11.138 3.722 2.755 1.00 0.00 C ATOM 105 CE1 PHE A 8 -13.895 3.315 2.992 1.00 0.00 C ATOM 106 CE2 PHE A 8 -12.023 4.548 2.042 1.00 0.00 C ATOM 107 CZ PHE A 8 -13.408 4.343 2.163 1.00 0.00 C ATOM 0 H PHE A 8 -8.756 -0.393 4.361 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.655 -0.060 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.875 1.759 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.629 2.166 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -13.381 1.694 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.074 3.889 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.960 3.163 3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.642 5.334 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.098 4.973 1.621 1.00 0.00 H new ATOM 117 N LYS A 9 -11.145 0.486 1.414 1.00 0.00 N ATOM 118 CA LYS A 9 -10.949 0.538 -0.042 1.00 0.00 C ATOM 119 C LYS A 9 -10.115 1.762 -0.466 1.00 0.00 C ATOM 120 O LYS A 9 -9.558 2.488 0.361 1.00 0.00 O ATOM 121 CB LYS A 9 -12.347 0.489 -0.705 1.00 0.00 C ATOM 122 CG LYS A 9 -12.584 -0.748 -1.589 1.00 0.00 C ATOM 123 CD LYS A 9 -12.350 -2.093 -0.871 1.00 0.00 C ATOM 124 CE LYS A 9 -13.364 -3.161 -1.313 1.00 0.00 C ATOM 125 NZ LYS A 9 -14.551 -3.201 -0.417 1.00 0.00 N ATOM 0 H LYS A 9 -12.102 0.710 1.685 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.366 -0.319 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.108 0.515 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.481 1.385 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.607 -0.722 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.926 -0.693 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.339 -2.444 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.423 -1.947 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.686 -2.956 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.882 -4.139 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.211 -3.933 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.247 -3.422 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.026 -2.276 -0.429 1.00 0.00 H new ATOM 139 N THR A 10 -9.996 1.976 -1.773 1.00 0.00 N ATOM 140 CA THR A 10 -9.335 3.140 -2.386 1.00 0.00 C ATOM 141 C THR A 10 -9.864 4.447 -1.786 1.00 0.00 C ATOM 142 O THR A 10 -11.065 4.588 -1.537 1.00 0.00 O ATOM 143 CB THR A 10 -9.620 3.124 -3.896 1.00 0.00 C ATOM 144 OG1 THR A 10 -9.148 1.908 -4.433 1.00 0.00 O ATOM 145 CG2 THR A 10 -8.964 4.266 -4.667 1.00 0.00 C ATOM 0 H THR A 10 -10.368 1.325 -2.465 1.00 0.00 H new ATOM 0 HA THR A 10 -8.263 3.083 -2.195 1.00 0.00 H new ATOM 0 HB THR A 10 -10.698 3.241 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.414 2.089 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.214 4.182 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.326 5.220 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.882 4.213 -4.545 1.00 0.00 H new ATOM 153 N GLY A 11 -8.967 5.405 -1.548 1.00 0.00 N ATOM 154 CA GLY A 11 -9.267 6.678 -0.891 1.00 0.00 C ATOM 155 C GLY A 11 -8.825 6.760 0.573 1.00 0.00 C ATOM 156 O GLY A 11 -8.975 7.822 1.179 1.00 0.00 O ATOM 0 H GLY A 11 -7.986 5.315 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.785 7.482 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.341 6.854 -0.943 1.00 0.00 H new ATOM 160 N ASP A 12 -8.295 5.679 1.166 1.00 0.00 N ATOM 161 CA ASP A 12 -7.774 5.743 2.538 1.00 0.00 C ATOM 162 C ASP A 12 -6.530 6.642 2.585 1.00 0.00 C ATOM 163 O ASP A 12 -5.626 6.490 1.755 1.00 0.00 O ATOM 164 CB ASP A 12 -7.412 4.340 3.069 1.00 0.00 C ATOM 165 CG ASP A 12 -7.546 4.220 4.600 1.00 0.00 C ATOM 166 OD1 ASP A 12 -8.407 4.905 5.202 1.00 0.00 O ATOM 167 OD2 ASP A 12 -6.793 3.424 5.205 1.00 0.00 O ATOM 0 H ASP A 12 -8.217 4.763 0.724 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.557 6.160 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.058 3.601 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.388 4.102 2.780 1.00 0.00 H new ATOM 172 N LYS A 13 -6.452 7.538 3.572 1.00 0.00 N ATOM 173 CA LYS A 13 -5.321 8.458 3.759 1.00 0.00 C ATOM 174 C LYS A 13 -4.935 8.524 5.232 1.00 0.00 C ATOM 175 O LYS A 13 -5.781 8.776 6.093 1.00 0.00 O ATOM 176 CB LYS A 13 -5.679 9.861 3.239 1.00 0.00 C ATOM 177 CG LYS A 13 -4.412 10.609 2.788 1.00 0.00 C ATOM 178 CD LYS A 13 -4.499 12.119 3.045 1.00 0.00 C ATOM 179 CE LYS A 13 -4.149 12.491 4.497 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.752 12.988 4.613 1.00 0.00 N ATOM 0 H LYS A 13 -7.182 7.648 4.276 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.470 8.084 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.376 9.779 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.183 10.427 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.548 10.203 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.249 10.433 1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.822 12.639 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.507 12.466 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.839 13.256 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.280 11.619 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.551 13.229 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.093 12.249 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.634 13.834 4.020 1.00 0.00 H new ATOM 194 N ALA A 14 -3.655 8.313 5.511 1.00 0.00 N ATOM 195 CA ALA A 14 -3.086 8.270 6.854 1.00 0.00 C ATOM 196 C ALA A 14 -1.548 8.250 6.784 1.00 0.00 C ATOM 197 O ALA A 14 -0.955 8.064 5.718 1.00 0.00 O ATOM 198 CB ALA A 14 -3.646 7.035 7.576 1.00 0.00 C ATOM 0 H ALA A 14 -2.958 8.161 4.782 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.363 9.162 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.233 6.984 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.732 7.108 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.371 6.136 7.025 1.00 0.00 H new ATOM 204 N VAL A 15 -0.902 8.429 7.934 1.00 0.00 N ATOM 205 CA VAL A 15 0.555 8.473 8.077 1.00 0.00 C ATOM 206 C VAL A 15 1.096 7.046 8.125 1.00 0.00 C ATOM 207 O VAL A 15 1.021 6.375 9.153 1.00 0.00 O ATOM 208 CB VAL A 15 0.945 9.284 9.330 1.00 0.00 C ATOM 209 CG1 VAL A 15 2.453 9.515 9.470 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.253 10.651 9.271 1.00 0.00 C ATOM 0 H VAL A 15 -1.391 8.551 8.821 1.00 0.00 H new ATOM 0 HA VAL A 15 1.001 8.977 7.220 1.00 0.00 H new ATOM 0 HB VAL A 15 0.627 8.698 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.650 10.092 10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.964 8.554 9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.819 10.064 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.522 11.233 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.572 11.182 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.828 10.511 9.244 1.00 0.00 H new ATOM 220 N TYR A 16 1.623 6.556 7.004 1.00 0.00 N ATOM 221 CA TYR A 16 2.254 5.234 6.945 1.00 0.00 C ATOM 222 C TYR A 16 3.677 5.256 7.567 1.00 0.00 C ATOM 223 O TYR A 16 4.308 6.321 7.609 1.00 0.00 O ATOM 224 CB TYR A 16 2.235 4.729 5.488 1.00 0.00 C ATOM 225 CG TYR A 16 3.515 4.958 4.707 1.00 0.00 C ATOM 226 CD1 TYR A 16 3.727 6.156 3.993 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.508 3.961 4.722 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.940 6.352 3.299 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.717 4.155 4.033 1.00 0.00 C ATOM 230 CZ TYR A 16 5.934 5.349 3.318 1.00 0.00 C ATOM 231 OH TYR A 16 7.107 5.548 2.661 1.00 0.00 O ATOM 0 H TYR A 16 1.626 7.058 6.116 1.00 0.00 H new ATOM 0 HA TYR A 16 1.686 4.528 7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.018 3.661 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.415 5.218 4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.964 6.920 3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.340 3.043 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.108 7.269 2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.479 3.390 4.052 1.00 0.00 H new ATOM 0 HH TYR A 16 7.682 4.763 2.774 1.00 0.00 H new ATOM 241 N PRO A 17 4.215 4.108 8.026 1.00 0.00 N ATOM 242 CA PRO A 17 5.553 3.991 8.613 1.00 0.00 C ATOM 243 C PRO A 17 6.666 4.127 7.556 1.00 0.00 C ATOM 244 O PRO A 17 7.168 3.140 7.009 1.00 0.00 O ATOM 245 CB PRO A 17 5.561 2.635 9.338 1.00 0.00 C ATOM 246 CG PRO A 17 4.572 1.801 8.529 1.00 0.00 C ATOM 247 CD PRO A 17 3.521 2.834 8.137 1.00 0.00 C ATOM 0 HA PRO A 17 5.763 4.801 9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.555 2.187 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.249 2.733 10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.041 1.347 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.145 0.990 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.048 2.567 7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.731 2.887 8.886 1.00 0.00 H new ATOM 255 N GLY A 18 7.067 5.368 7.272 1.00 0.00 N ATOM 256 CA GLY A 18 8.170 5.699 6.363 1.00 0.00 C ATOM 257 C GLY A 18 8.300 7.200 6.096 1.00 0.00 C ATOM 258 O GLY A 18 9.347 7.787 6.380 1.00 0.00 O ATOM 0 H GLY A 18 6.623 6.192 7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.104 5.329 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.021 5.180 5.416 1.00 0.00 H new ATOM 262 N GLN A 19 7.240 7.825 5.568 1.00 0.00 N ATOM 263 CA GLN A 19 7.203 9.264 5.229 1.00 0.00 C ATOM 264 C GLN A 19 5.973 9.992 5.792 1.00 0.00 C ATOM 265 O GLN A 19 6.071 11.150 6.198 1.00 0.00 O ATOM 266 CB GLN A 19 7.231 9.472 3.703 1.00 0.00 C ATOM 267 CG GLN A 19 8.379 8.759 2.964 1.00 0.00 C ATOM 268 CD GLN A 19 9.225 9.685 2.090 1.00 0.00 C ATOM 269 OE1 GLN A 19 9.399 9.468 0.899 1.00 0.00 O ATOM 270 NE2 GLN A 19 9.820 10.722 2.645 1.00 0.00 N ATOM 0 H GLN A 19 6.366 7.342 5.359 1.00 0.00 H new ATOM 0 HA GLN A 19 8.092 9.691 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.284 9.127 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.298 10.541 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.026 8.277 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.961 7.969 2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.685 10.917 3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.415 11.330 2.082 1.00 0.00 H new ATOM 279 N GLY A 20 4.811 9.330 5.792 1.00 0.00 N ATOM 280 CA GLY A 20 3.536 9.878 6.266 1.00 0.00 C ATOM 281 C GLY A 20 2.603 10.435 5.184 1.00 0.00 C ATOM 282 O GLY A 20 1.444 10.738 5.468 1.00 0.00 O ATOM 0 H GLY A 20 4.730 8.372 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.005 9.095 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.748 10.673 6.981 1.00 0.00 H new ATOM 286 N VAL A 21 3.093 10.569 3.950 1.00 0.00 N ATOM 287 CA VAL A 21 2.347 10.986 2.752 1.00 0.00 C ATOM 288 C VAL A 21 2.095 9.783 1.835 1.00 0.00 C ATOM 289 O VAL A 21 3.005 8.997 1.573 1.00 0.00 O ATOM 290 CB VAL A 21 3.064 12.165 2.061 1.00 0.00 C ATOM 291 CG1 VAL A 21 4.509 11.868 1.644 1.00 0.00 C ATOM 292 CG2 VAL A 21 2.290 12.677 0.841 1.00 0.00 C ATOM 0 H VAL A 21 4.074 10.380 3.744 1.00 0.00 H new ATOM 0 HA VAL A 21 1.362 11.357 3.035 1.00 0.00 H new ATOM 0 HB VAL A 21 3.097 12.938 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.938 12.749 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.096 11.611 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.521 11.033 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.833 13.506 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.183 11.872 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.303 13.017 1.153 1.00 0.00 H new ATOM 302 N GLY A 22 0.854 9.630 1.364 1.00 0.00 N ATOM 303 CA GLY A 22 0.389 8.521 0.522 1.00 0.00 C ATOM 304 C GLY A 22 -1.102 8.228 0.735 1.00 0.00 C ATOM 305 O GLY A 22 -1.543 8.031 1.868 1.00 0.00 O ATOM 0 H GLY A 22 0.114 10.303 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.566 8.762 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.970 7.627 0.746 1.00 0.00 H new ATOM 309 N GLU A 23 -1.879 8.186 -0.349 1.00 0.00 N ATOM 310 CA GLU A 23 -3.306 7.820 -0.349 1.00 0.00 C ATOM 311 C GLU A 23 -3.503 6.520 -1.153 1.00 0.00 C ATOM 312 O GLU A 23 -2.971 6.383 -2.260 1.00 0.00 O ATOM 313 CB GLU A 23 -4.144 8.965 -0.946 1.00 0.00 C ATOM 314 CG GLU A 23 -5.648 8.752 -0.710 1.00 0.00 C ATOM 315 CD GLU A 23 -6.493 9.862 -1.364 1.00 0.00 C ATOM 316 OE1 GLU A 23 -6.601 9.888 -2.614 1.00 0.00 O ATOM 317 OE2 GLU A 23 -7.065 10.711 -0.637 1.00 0.00 O ATOM 0 H GLU A 23 -1.528 8.411 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.640 7.653 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.836 9.911 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.950 9.038 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.946 7.784 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.848 8.727 0.361 1.00 0.00 H new ATOM 324 N VAL A 24 -4.233 5.545 -0.602 1.00 0.00 N ATOM 325 CA VAL A 24 -4.477 4.237 -1.237 1.00 0.00 C ATOM 326 C VAL A 24 -5.210 4.414 -2.567 1.00 0.00 C ATOM 327 O VAL A 24 -6.295 4.997 -2.611 1.00 0.00 O ATOM 328 CB VAL A 24 -5.283 3.292 -0.321 1.00 0.00 C ATOM 329 CG1 VAL A 24 -5.484 1.916 -0.967 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.545 3.062 1.006 1.00 0.00 C ATOM 0 H VAL A 24 -4.679 5.639 0.310 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.503 3.782 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.247 3.773 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.055 1.278 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.026 2.030 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.513 1.460 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.130 2.393 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.571 2.614 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.409 4.015 1.517 1.00 0.00 H new ATOM 340 N MET A 25 -4.624 3.883 -3.640 1.00 0.00 N ATOM 341 CA MET A 25 -5.117 3.945 -5.021 1.00 0.00 C ATOM 342 C MET A 25 -5.814 2.648 -5.482 1.00 0.00 C ATOM 343 O MET A 25 -6.596 2.673 -6.433 1.00 0.00 O ATOM 344 CB MET A 25 -3.930 4.280 -5.947 1.00 0.00 C ATOM 345 CG MET A 25 -4.036 5.689 -6.536 1.00 0.00 C ATOM 346 SD MET A 25 -5.373 5.896 -7.749 1.00 0.00 S ATOM 347 CE MET A 25 -4.943 7.528 -8.412 1.00 0.00 C ATOM 0 H MET A 25 -3.745 3.370 -3.568 1.00 0.00 H new ATOM 0 HA MET A 25 -5.880 4.722 -5.070 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.999 4.191 -5.388 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.886 3.552 -6.757 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.186 6.399 -5.723 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.088 5.944 -7.011 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.667 7.813 -9.176 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.957 8.263 -7.607 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.947 7.491 -8.852 1.00 0.00 H new ATOM 357 N GLY A 26 -5.532 1.517 -4.828 1.00 0.00 N ATOM 358 CA GLY A 26 -6.162 0.219 -5.087 1.00 0.00 C ATOM 359 C GLY A 26 -5.478 -0.941 -4.357 1.00 0.00 C ATOM 360 O GLY A 26 -4.534 -0.750 -3.584 1.00 0.00 O ATOM 0 H GLY A 26 -4.838 1.478 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.208 0.264 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.148 0.023 -6.159 1.00 0.00 H new ATOM 364 N ILE A 27 -5.961 -2.159 -4.615 1.00 0.00 N ATOM 365 CA ILE A 27 -5.397 -3.419 -4.113 1.00 0.00 C ATOM 366 C ILE A 27 -4.921 -4.232 -5.326 1.00 0.00 C ATOM 367 O ILE A 27 -5.581 -4.255 -6.368 1.00 0.00 O ATOM 368 CB ILE A 27 -6.397 -4.207 -3.228 1.00 0.00 C ATOM 369 CG1 ILE A 27 -6.634 -3.534 -1.859 1.00 0.00 C ATOM 370 CG2 ILE A 27 -5.852 -5.613 -2.907 1.00 0.00 C ATOM 371 CD1 ILE A 27 -7.553 -2.309 -1.880 1.00 0.00 C ATOM 0 H ILE A 27 -6.785 -2.302 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.554 -3.208 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.323 -4.242 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.057 -4.273 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.669 -3.237 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.570 -6.148 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.695 -6.163 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.906 -5.523 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.653 -1.912 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.126 -1.545 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.535 -2.597 -2.256 1.00 0.00 H new ATOM 383 N GLU A 28 -3.784 -4.909 -5.191 1.00 0.00 N ATOM 384 CA GLU A 28 -3.147 -5.717 -6.241 1.00 0.00 C ATOM 385 C GLU A 28 -2.992 -7.180 -5.785 1.00 0.00 C ATOM 386 O GLU A 28 -2.653 -7.446 -4.629 1.00 0.00 O ATOM 387 CB GLU A 28 -1.796 -5.073 -6.622 1.00 0.00 C ATOM 388 CG GLU A 28 -1.591 -4.928 -8.136 1.00 0.00 C ATOM 389 CD GLU A 28 -1.279 -6.277 -8.805 1.00 0.00 C ATOM 390 OE1 GLU A 28 -2.238 -6.993 -9.177 1.00 0.00 O ATOM 391 OE2 GLU A 28 -0.083 -6.626 -8.952 1.00 0.00 O ATOM 0 H GLU A 28 -3.257 -4.914 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.778 -5.737 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.728 -4.089 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.987 -5.676 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.487 -4.499 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.775 -4.231 -8.327 1.00 0.00 H new ATOM 398 N HIS A 29 -3.235 -8.136 -6.689 1.00 0.00 N ATOM 399 CA HIS A 29 -3.238 -9.581 -6.414 1.00 0.00 C ATOM 400 C HIS A 29 -2.377 -10.329 -7.438 1.00 0.00 C ATOM 401 O HIS A 29 -2.717 -10.382 -8.623 1.00 0.00 O ATOM 402 CB HIS A 29 -4.683 -10.114 -6.426 1.00 0.00 C ATOM 403 CG HIS A 29 -5.614 -9.457 -5.437 1.00 0.00 C ATOM 404 ND1 HIS A 29 -5.480 -9.480 -4.062 1.00 0.00 N ATOM 405 CD2 HIS A 29 -6.770 -8.796 -5.744 1.00 0.00 C ATOM 406 CE1 HIS A 29 -6.556 -8.860 -3.537 1.00 0.00 C ATOM 407 NE2 HIS A 29 -7.349 -8.426 -4.541 1.00 0.00 N ATOM 0 H HIS A 29 -3.442 -7.920 -7.664 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.809 -9.751 -5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.093 -9.986 -7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.661 -11.185 -6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.157 -8.600 -6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.752 -8.731 -2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.224 -7.914 -4.432 1.00 0.00 H new ATOM 416 N THR A 30 -1.270 -10.919 -6.984 1.00 0.00 N ATOM 417 CA THR A 30 -0.329 -11.676 -7.826 1.00 0.00 C ATOM 418 C THR A 30 0.227 -12.920 -7.112 1.00 0.00 C ATOM 419 O THR A 30 -0.170 -13.258 -5.992 1.00 0.00 O ATOM 420 CB THR A 30 0.753 -10.728 -8.385 1.00 0.00 C ATOM 421 OG1 THR A 30 1.460 -11.356 -9.435 1.00 0.00 O ATOM 422 CG2 THR A 30 1.753 -10.231 -7.341 1.00 0.00 C ATOM 0 H THR A 30 -0.993 -10.886 -6.003 1.00 0.00 H new ATOM 0 HA THR A 30 -0.867 -12.082 -8.682 1.00 0.00 H new ATOM 0 HB THR A 30 0.212 -9.853 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.327 -11.670 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.478 -9.571 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.223 -9.685 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.272 -11.082 -6.900 1.00 0.00 H new ATOM 430 N GLU A 31 1.124 -13.645 -7.776 1.00 0.00 N ATOM 431 CA GLU A 31 1.759 -14.880 -7.318 1.00 0.00 C ATOM 432 C GLU A 31 3.268 -14.825 -7.621 1.00 0.00 C ATOM 433 O GLU A 31 3.683 -14.869 -8.782 1.00 0.00 O ATOM 434 CB GLU A 31 1.068 -16.086 -7.978 1.00 0.00 C ATOM 435 CG GLU A 31 1.453 -17.408 -7.296 1.00 0.00 C ATOM 436 CD GLU A 31 1.035 -18.677 -8.070 1.00 0.00 C ATOM 437 OE1 GLU A 31 0.656 -18.608 -9.264 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.101 -19.780 -7.475 1.00 0.00 O ATOM 0 H GLU A 31 1.447 -13.370 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 31 1.648 -14.991 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.013 -15.955 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.340 -16.128 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.533 -17.426 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.999 -17.436 -6.306 1.00 0.00 H new ATOM 445 N VAL A 32 4.093 -14.695 -6.577 1.00 0.00 N ATOM 446 CA VAL A 32 5.566 -14.593 -6.652 1.00 0.00 C ATOM 447 C VAL A 32 6.199 -15.830 -6.009 1.00 0.00 C ATOM 448 O VAL A 32 5.651 -16.378 -5.052 1.00 0.00 O ATOM 449 CB VAL A 32 6.095 -13.297 -5.992 1.00 0.00 C ATOM 450 CG1 VAL A 32 5.495 -12.040 -6.639 1.00 0.00 C ATOM 451 CG2 VAL A 32 5.846 -13.258 -4.480 1.00 0.00 C ATOM 0 H VAL A 32 3.747 -14.656 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 32 5.849 -14.547 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 32 7.172 -13.305 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.892 -11.152 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.756 -12.015 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.410 -12.059 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.238 -12.327 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.775 -13.318 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.348 -14.102 -4.007 1.00 0.00 H new ATOM 461 N ALA A 33 7.343 -16.294 -6.520 1.00 0.00 N ATOM 462 CA ALA A 33 8.029 -17.512 -6.055 1.00 0.00 C ATOM 463 C ALA A 33 7.121 -18.774 -5.952 1.00 0.00 C ATOM 464 O ALA A 33 7.378 -19.672 -5.146 1.00 0.00 O ATOM 465 CB ALA A 33 8.760 -17.172 -4.744 1.00 0.00 C ATOM 0 H ALA A 33 7.831 -15.827 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 33 8.752 -17.812 -6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.278 -18.058 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.484 -16.378 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.036 -16.839 -4.000 1.00 0.00 H new ATOM 471 N GLY A 34 6.046 -18.848 -6.753 1.00 0.00 N ATOM 472 CA GLY A 34 5.040 -19.922 -6.705 1.00 0.00 C ATOM 473 C GLY A 34 4.084 -19.860 -5.500 1.00 0.00 C ATOM 474 O GLY A 34 3.503 -20.882 -5.126 1.00 0.00 O ATOM 0 H GLY A 34 5.847 -18.148 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.450 -19.889 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.555 -20.882 -6.693 1.00 0.00 H new ATOM 478 N GLN A 35 3.935 -18.688 -4.871 1.00 0.00 N ATOM 479 CA GLN A 35 3.088 -18.426 -3.702 1.00 0.00 C ATOM 480 C GLN A 35 2.238 -17.156 -3.909 1.00 0.00 C ATOM 481 O GLN A 35 2.749 -16.122 -4.346 1.00 0.00 O ATOM 482 CB GLN A 35 3.987 -18.301 -2.453 1.00 0.00 C ATOM 483 CG GLN A 35 3.463 -19.143 -1.282 1.00 0.00 C ATOM 484 CD GLN A 35 4.259 -18.895 0.000 1.00 0.00 C ATOM 485 OE1 GLN A 35 3.837 -18.179 0.898 1.00 0.00 O ATOM 486 NE2 GLN A 35 5.436 -19.469 0.145 1.00 0.00 N ATOM 0 H GLN A 35 4.429 -17.852 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 35 2.394 -19.255 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.000 -18.617 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.045 -17.255 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.413 -18.909 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.515 -20.200 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.805 -20.069 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.978 -19.313 0.995 1.00 0.00 H new ATOM 495 N ARG A 36 0.933 -17.210 -3.600 1.00 0.00 N ATOM 496 CA ARG A 36 0.027 -16.043 -3.653 1.00 0.00 C ATOM 497 C ARG A 36 0.516 -14.949 -2.702 1.00 0.00 C ATOM 498 O ARG A 36 0.557 -15.157 -1.487 1.00 0.00 O ATOM 499 CB ARG A 36 -1.422 -16.458 -3.338 1.00 0.00 C ATOM 500 CG ARG A 36 -2.109 -17.057 -4.577 1.00 0.00 C ATOM 501 CD ARG A 36 -3.461 -17.709 -4.239 1.00 0.00 C ATOM 502 NE ARG A 36 -4.621 -16.927 -4.720 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.858 -17.373 -4.865 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.195 -18.594 -4.553 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.797 -16.600 -5.330 1.00 0.00 N ATOM 0 H ARG A 36 0.470 -18.069 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 36 0.037 -15.639 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.427 -17.187 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.984 -15.591 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.262 -16.273 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.453 -17.801 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.496 -18.706 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.537 -17.833 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.451 -15.951 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.495 -19.238 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.158 -18.905 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.583 -15.637 -5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.746 -16.958 -5.436 1.00 0.00 H new ATOM 519 N GLN A 37 0.899 -13.801 -3.257 1.00 0.00 N ATOM 520 CA GLN A 37 1.368 -12.635 -2.508 1.00 0.00 C ATOM 521 C GLN A 37 0.739 -11.374 -3.106 1.00 0.00 C ATOM 522 O GLN A 37 0.999 -11.002 -4.251 1.00 0.00 O ATOM 523 CB GLN A 37 2.909 -12.607 -2.514 1.00 0.00 C ATOM 524 CG GLN A 37 3.507 -11.905 -1.286 1.00 0.00 C ATOM 525 CD GLN A 37 4.982 -12.267 -1.094 1.00 0.00 C ATOM 526 OE1 GLN A 37 5.331 -13.366 -0.685 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.908 -11.367 -1.351 1.00 0.00 N ATOM 0 H GLN A 37 0.892 -13.651 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 37 1.059 -12.687 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.284 -13.629 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.253 -12.102 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.408 -10.825 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.944 -12.185 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.641 -10.444 -1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.892 -11.593 -1.208 1.00 0.00 H new ATOM 536 N SER A 38 -0.126 -10.734 -2.325 1.00 0.00 N ATOM 537 CA SER A 38 -0.830 -9.505 -2.697 1.00 0.00 C ATOM 538 C SER A 38 -0.045 -8.262 -2.267 1.00 0.00 C ATOM 539 O SER A 38 0.859 -8.327 -1.427 1.00 0.00 O ATOM 540 CB SER A 38 -2.230 -9.546 -2.075 1.00 0.00 C ATOM 541 OG SER A 38 -3.070 -10.397 -2.840 1.00 0.00 O ATOM 0 H SER A 38 -0.365 -11.063 -1.390 1.00 0.00 H new ATOM 0 HA SER A 38 -0.922 -9.442 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.171 -9.905 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.651 -8.541 -2.038 1.00 0.00 H new ATOM 0 HG SER A 38 -3.824 -9.881 -3.193 1.00 0.00 H new ATOM 547 N PHE A 39 -0.386 -7.111 -2.845 1.00 0.00 N ATOM 548 CA PHE A 39 0.290 -5.839 -2.594 1.00 0.00 C ATOM 549 C PHE A 39 -0.713 -4.678 -2.507 1.00 0.00 C ATOM 550 O PHE A 39 -1.804 -4.723 -3.081 1.00 0.00 O ATOM 551 CB PHE A 39 1.334 -5.563 -3.697 1.00 0.00 C ATOM 552 CG PHE A 39 2.519 -6.518 -3.755 1.00 0.00 C ATOM 553 CD1 PHE A 39 2.387 -7.783 -4.360 1.00 0.00 C ATOM 554 CD2 PHE A 39 3.769 -6.136 -3.230 1.00 0.00 C ATOM 555 CE1 PHE A 39 3.473 -8.678 -4.388 1.00 0.00 C ATOM 556 CE2 PHE A 39 4.859 -7.026 -3.266 1.00 0.00 C ATOM 557 CZ PHE A 39 4.706 -8.303 -3.833 1.00 0.00 C ATOM 0 H PHE A 39 -1.153 -7.035 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 39 0.798 -5.914 -1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.827 -5.587 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.716 -4.551 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.446 -8.068 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.892 -5.154 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.357 -9.654 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.813 -6.727 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.536 -8.994 -3.841 1.00 0.00 H new ATOM 567 N TYR A 40 -0.320 -3.611 -1.814 1.00 0.00 N ATOM 568 CA TYR A 40 -1.078 -2.363 -1.699 1.00 0.00 C ATOM 569 C TYR A 40 -0.588 -1.331 -2.711 1.00 0.00 C ATOM 570 O TYR A 40 0.605 -1.026 -2.749 1.00 0.00 O ATOM 571 CB TYR A 40 -0.979 -1.817 -0.264 1.00 0.00 C ATOM 572 CG TYR A 40 -2.169 -2.250 0.558 1.00 0.00 C ATOM 573 CD1 TYR A 40 -3.434 -1.697 0.272 1.00 0.00 C ATOM 574 CD2 TYR A 40 -2.037 -3.273 1.514 1.00 0.00 C ATOM 575 CE1 TYR A 40 -4.583 -2.200 0.906 1.00 0.00 C ATOM 576 CE2 TYR A 40 -3.189 -3.785 2.141 1.00 0.00 C ATOM 577 CZ TYR A 40 -4.465 -3.269 1.820 1.00 0.00 C ATOM 578 OH TYR A 40 -5.578 -3.837 2.356 1.00 0.00 O ATOM 0 H TYR A 40 0.561 -3.589 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.125 -2.571 -1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.060 -2.173 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.924 -0.729 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.520 -0.886 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.061 -3.662 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.551 -1.771 0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.097 -4.576 2.871 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.453 -3.954 3.321 1.00 0.00 H new ATOM 588 N VAL A 41 -1.499 -0.796 -3.530 1.00 0.00 N ATOM 589 CA VAL A 41 -1.199 0.282 -4.481 1.00 0.00 C ATOM 590 C VAL A 41 -1.286 1.613 -3.732 1.00 0.00 C ATOM 591 O VAL A 41 -2.379 2.137 -3.506 1.00 0.00 O ATOM 592 CB VAL A 41 -2.146 0.265 -5.702 1.00 0.00 C ATOM 593 CG1 VAL A 41 -1.674 1.262 -6.767 1.00 0.00 C ATOM 594 CG2 VAL A 41 -2.237 -1.123 -6.350 1.00 0.00 C ATOM 0 H VAL A 41 -2.472 -1.100 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.195 0.138 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.131 0.543 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.354 1.234 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.662 2.267 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.670 0.995 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.914 -1.083 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.248 -1.433 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.614 -1.841 -5.621 1.00 0.00 H new ATOM 604 N LEU A 42 -0.139 2.162 -3.332 1.00 0.00 N ATOM 605 CA LEU A 42 -0.035 3.433 -2.612 1.00 0.00 C ATOM 606 C LEU A 42 0.672 4.475 -3.490 1.00 0.00 C ATOM 607 O LEU A 42 1.852 4.334 -3.816 1.00 0.00 O ATOM 608 CB LEU A 42 0.686 3.185 -1.268 1.00 0.00 C ATOM 609 CG LEU A 42 0.705 4.394 -0.312 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.707 4.899 -0.034 1.00 0.00 C ATOM 611 CD2 LEU A 42 1.346 4.019 1.022 1.00 0.00 C ATOM 0 H LEU A 42 0.767 1.725 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.023 3.836 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.205 2.348 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.714 2.886 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 42 1.286 5.177 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.662 5.752 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.175 5.203 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.295 4.103 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.349 4.887 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.777 3.213 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.371 3.688 0.853 1.00 0.00 H new ATOM 623 N ARG A 43 -0.049 5.526 -3.895 1.00 0.00 N ATOM 624 CA ARG A 43 0.509 6.654 -4.654 1.00 0.00 C ATOM 625 C ARG A 43 0.960 7.752 -3.690 1.00 0.00 C ATOM 626 O ARG A 43 0.148 8.317 -2.955 1.00 0.00 O ATOM 627 CB ARG A 43 -0.508 7.126 -5.705 1.00 0.00 C ATOM 628 CG ARG A 43 -0.004 8.354 -6.478 1.00 0.00 C ATOM 629 CD ARG A 43 -0.969 8.746 -7.602 1.00 0.00 C ATOM 630 NE ARG A 43 -0.864 10.184 -7.921 1.00 0.00 N ATOM 631 CZ ARG A 43 -1.637 10.879 -8.734 1.00 0.00 C ATOM 632 NH1 ARG A 43 -2.528 10.308 -9.495 1.00 0.00 N ATOM 633 NH2 ARG A 43 -1.538 12.176 -8.795 1.00 0.00 N ATOM 0 H ARG A 43 -1.047 5.620 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 43 1.398 6.347 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.711 6.315 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.451 7.367 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.117 9.192 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.979 8.142 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.752 8.157 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.991 8.511 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.111 10.697 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.643 9.295 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.110 10.874 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.858 12.664 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.140 12.704 -9.427 1.00 0.00 H new ATOM 647 N ILE A 44 2.261 8.035 -3.678 1.00 0.00 N ATOM 648 CA ILE A 44 2.876 9.104 -2.882 1.00 0.00 C ATOM 649 C ILE A 44 2.602 10.460 -3.549 1.00 0.00 C ATOM 650 O ILE A 44 3.228 10.809 -4.553 1.00 0.00 O ATOM 651 CB ILE A 44 4.395 8.871 -2.703 1.00 0.00 C ATOM 652 CG1 ILE A 44 4.780 7.443 -2.266 1.00 0.00 C ATOM 653 CG2 ILE A 44 5.006 9.874 -1.707 1.00 0.00 C ATOM 654 CD1 ILE A 44 4.069 6.880 -1.023 1.00 0.00 C ATOM 0 H ILE A 44 2.938 7.515 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 44 2.432 9.099 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 44 4.806 9.023 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.588 6.769 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.854 7.423 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.074 9.681 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.854 10.889 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.523 9.762 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.429 5.871 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.280 7.517 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.994 6.853 -1.200 1.00 0.00 H new ATOM 666 N LEU A 45 1.676 11.241 -2.986 1.00 0.00 N ATOM 667 CA LEU A 45 1.301 12.577 -3.481 1.00 0.00 C ATOM 668 C LEU A 45 2.483 13.574 -3.544 1.00 0.00 C ATOM 669 O LEU A 45 2.450 14.521 -4.327 1.00 0.00 O ATOM 670 CB LEU A 45 0.169 13.127 -2.589 1.00 0.00 C ATOM 671 CG LEU A 45 -0.693 14.204 -3.285 1.00 0.00 C ATOM 672 CD1 LEU A 45 -1.800 13.558 -4.122 1.00 0.00 C ATOM 673 CD2 LEU A 45 -1.327 15.140 -2.253 1.00 0.00 C ATOM 0 H LEU A 45 1.153 10.961 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 45 0.965 12.466 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.473 12.302 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.603 13.550 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.037 14.779 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.394 14.336 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.354 12.919 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.442 12.959 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.930 15.891 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.961 14.563 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.543 15.634 -1.679 1.00 0.00 H new ATOM 685 N GLU A 46 3.541 13.344 -2.755 1.00 0.00 N ATOM 686 CA GLU A 46 4.766 14.159 -2.682 1.00 0.00 C ATOM 687 C GLU A 46 5.402 14.403 -4.067 1.00 0.00 C ATOM 688 O GLU A 46 5.630 15.550 -4.459 1.00 0.00 O ATOM 689 CB GLU A 46 5.779 13.467 -1.751 1.00 0.00 C ATOM 690 CG GLU A 46 6.914 14.412 -1.321 1.00 0.00 C ATOM 691 CD GLU A 46 8.142 13.702 -0.705 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.268 12.457 -0.782 1.00 0.00 O ATOM 693 OE2 GLU A 46 9.020 14.409 -0.151 1.00 0.00 O ATOM 0 H GLU A 46 3.570 12.547 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 46 4.490 15.136 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.262 13.097 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.203 12.600 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.240 14.986 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.521 15.125 -0.596 1.00 0.00 H new ATOM 700 N ASN A 47 5.668 13.321 -4.809 1.00 0.00 N ATOM 701 CA ASN A 47 6.251 13.337 -6.158 1.00 0.00 C ATOM 702 C ASN A 47 5.255 12.899 -7.257 1.00 0.00 C ATOM 703 O ASN A 47 5.521 13.106 -8.443 1.00 0.00 O ATOM 704 CB ASN A 47 7.523 12.474 -6.168 1.00 0.00 C ATOM 705 CG ASN A 47 8.776 13.256 -6.528 1.00 0.00 C ATOM 706 OD1 ASN A 47 9.394 13.903 -5.694 1.00 0.00 O ATOM 707 ND2 ASN A 47 9.204 13.214 -7.770 1.00 0.00 N ATOM 0 H ASN A 47 5.477 12.376 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 47 6.508 14.368 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.655 12.022 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.395 11.658 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.049 13.720 -8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.691 12.675 -8.468 1.00 0.00 H new ATOM 714 N GLY A 48 4.125 12.287 -6.880 1.00 0.00 N ATOM 715 CA GLY A 48 3.086 11.774 -7.782 1.00 0.00 C ATOM 716 C GLY A 48 3.309 10.337 -8.284 1.00 0.00 C ATOM 717 O GLY A 48 2.602 9.897 -9.193 1.00 0.00 O ATOM 0 H GLY A 48 3.901 12.129 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.126 11.818 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.016 12.437 -8.644 1.00 0.00 H new ATOM 721 N MET A 49 4.285 9.608 -7.730 1.00 0.00 N ATOM 722 CA MET A 49 4.678 8.253 -8.159 1.00 0.00 C ATOM 723 C MET A 49 3.934 7.152 -7.380 1.00 0.00 C ATOM 724 O MET A 49 3.467 7.367 -6.257 1.00 0.00 O ATOM 725 CB MET A 49 6.193 8.059 -7.957 1.00 0.00 C ATOM 726 CG MET A 49 7.049 9.118 -8.668 1.00 0.00 C ATOM 727 SD MET A 49 8.830 9.064 -8.300 1.00 0.00 S ATOM 728 CE MET A 49 8.846 9.210 -6.485 1.00 0.00 C ATOM 0 H MET A 49 4.842 9.951 -6.947 1.00 0.00 H new ATOM 0 HA MET A 49 4.413 8.164 -9.212 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.415 8.081 -6.890 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.476 7.071 -8.321 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.915 9.006 -9.744 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.671 10.105 -8.401 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.621 9.915 -6.183 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.876 9.568 -6.140 1.00 0.00 H new ATOM 0 HE3 MET A 49 9.051 8.235 -6.043 1.00 0.00 H new ATOM 738 N ARG A 50 3.872 5.943 -7.953 1.00 0.00 N ATOM 739 CA ARG A 50 3.299 4.732 -7.332 1.00 0.00 C ATOM 740 C ARG A 50 4.377 3.920 -6.598 1.00 0.00 C ATOM 741 O ARG A 50 5.494 3.774 -7.098 1.00 0.00 O ATOM 742 CB ARG A 50 2.548 3.871 -8.374 1.00 0.00 C ATOM 743 CG ARG A 50 3.341 3.498 -9.644 1.00 0.00 C ATOM 744 CD ARG A 50 3.081 4.466 -10.810 1.00 0.00 C ATOM 745 NE ARG A 50 4.095 4.320 -11.874 1.00 0.00 N ATOM 746 CZ ARG A 50 4.281 5.117 -12.913 1.00 0.00 C ATOM 747 NH1 ARG A 50 3.512 6.144 -13.146 1.00 0.00 N ATOM 748 NH2 ARG A 50 5.257 4.898 -13.746 1.00 0.00 N ATOM 0 H ARG A 50 4.230 5.771 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 50 2.570 5.052 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.224 2.950 -7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.648 4.406 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.406 3.491 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.074 2.486 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.090 4.281 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.086 5.491 -10.440 1.00 0.00 H new ATOM 0 HE ARG A 50 4.720 3.517 -11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.737 6.354 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.685 6.737 -13.957 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.885 4.107 -13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.394 5.517 -14.545 1.00 0.00 H new ATOM 762 N ILE A 51 4.035 3.372 -5.431 1.00 0.00 N ATOM 763 CA ILE A 51 4.879 2.494 -4.603 1.00 0.00 C ATOM 764 C ILE A 51 4.039 1.310 -4.102 1.00 0.00 C ATOM 765 O ILE A 51 3.097 1.485 -3.327 1.00 0.00 O ATOM 766 CB ILE A 51 5.545 3.272 -3.437 1.00 0.00 C ATOM 767 CG1 ILE A 51 6.420 4.427 -3.984 1.00 0.00 C ATOM 768 CG2 ILE A 51 6.388 2.310 -2.575 1.00 0.00 C ATOM 769 CD1 ILE A 51 7.274 5.150 -2.937 1.00 0.00 C ATOM 0 H ILE A 51 3.119 3.533 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 51 5.696 2.108 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 51 4.764 3.706 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.079 4.028 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.770 5.157 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.852 2.864 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.745 1.531 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.163 1.854 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.849 5.940 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.626 5.585 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.955 4.439 -2.469 1.00 0.00 H new ATOM 781 N MET A 52 4.356 0.100 -4.569 1.00 0.00 N ATOM 782 CA MET A 52 3.715 -1.136 -4.100 1.00 0.00 C ATOM 783 C MET A 52 4.271 -1.549 -2.726 1.00 0.00 C ATOM 784 O MET A 52 5.460 -1.364 -2.456 1.00 0.00 O ATOM 785 CB MET A 52 3.929 -2.282 -5.102 1.00 0.00 C ATOM 786 CG MET A 52 3.559 -1.915 -6.544 1.00 0.00 C ATOM 787 SD MET A 52 3.722 -3.300 -7.701 1.00 0.00 S ATOM 788 CE MET A 52 3.880 -2.376 -9.254 1.00 0.00 C ATOM 0 H MET A 52 5.066 -0.053 -5.285 1.00 0.00 H new ATOM 0 HA MET A 52 2.647 -0.939 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.974 -2.590 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.335 -3.141 -4.791 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.532 -1.551 -6.567 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.195 -1.095 -6.878 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.990 -3.075 -10.083 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.989 -1.768 -9.408 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.756 -1.729 -9.205 1.00 0.00 H new ATOM 798 N ILE A 53 3.437 -2.155 -1.874 1.00 0.00 N ATOM 799 CA ILE A 53 3.810 -2.626 -0.525 1.00 0.00 C ATOM 800 C ILE A 53 3.333 -4.077 -0.313 1.00 0.00 C ATOM 801 O ILE A 53 2.137 -4.324 -0.484 1.00 0.00 O ATOM 802 CB ILE A 53 3.238 -1.667 0.549 1.00 0.00 C ATOM 803 CG1 ILE A 53 3.912 -0.279 0.451 1.00 0.00 C ATOM 804 CG2 ILE A 53 3.390 -2.273 1.956 1.00 0.00 C ATOM 805 CD1 ILE A 53 3.429 0.742 1.486 1.00 0.00 C ATOM 0 H ILE A 53 2.460 -2.338 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 53 4.896 -2.622 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 53 2.172 -1.532 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.989 -0.405 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.738 0.125 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.982 -1.584 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.850 -3.219 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.446 -2.446 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.956 1.685 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.358 0.903 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.629 0.365 2.489 1.00 0.00 H new ATOM 817 N PRO A 54 4.206 -5.039 0.061 1.00 0.00 N ATOM 818 CA PRO A 54 3.827 -6.438 0.288 1.00 0.00 C ATOM 819 C PRO A 54 2.946 -6.594 1.532 1.00 0.00 C ATOM 820 O PRO A 54 3.364 -6.248 2.642 1.00 0.00 O ATOM 821 CB PRO A 54 5.150 -7.203 0.449 1.00 0.00 C ATOM 822 CG PRO A 54 6.116 -6.144 0.980 1.00 0.00 C ATOM 823 CD PRO A 54 5.636 -4.867 0.291 1.00 0.00 C ATOM 0 HA PRO A 54 3.234 -6.823 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.049 -8.037 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.491 -7.617 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.066 -6.060 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.150 -6.376 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.827 -3.993 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.165 -4.710 -0.649 1.00 0.00 H new ATOM 831 N ILE A 55 1.744 -7.167 1.382 1.00 0.00 N ATOM 832 CA ILE A 55 0.792 -7.312 2.505 1.00 0.00 C ATOM 833 C ILE A 55 1.339 -8.140 3.687 1.00 0.00 C ATOM 834 O ILE A 55 0.858 -8.007 4.812 1.00 0.00 O ATOM 835 CB ILE A 55 -0.578 -7.871 2.055 1.00 0.00 C ATOM 836 CG1 ILE A 55 -0.509 -9.336 1.561 1.00 0.00 C ATOM 837 CG2 ILE A 55 -1.249 -6.923 1.037 1.00 0.00 C ATOM 838 CD1 ILE A 55 -1.883 -10.015 1.518 1.00 0.00 C ATOM 0 H ILE A 55 1.403 -7.539 0.496 1.00 0.00 H new ATOM 0 HA ILE A 55 0.649 -6.294 2.867 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.215 -7.908 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.067 -9.358 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.152 -9.904 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.211 -7.336 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.402 -5.946 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.608 -6.817 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.771 -11.040 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.317 -10.022 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.539 -9.467 0.841 1.00 0.00 H new ATOM 850 N ASN A 56 2.375 -8.950 3.440 1.00 0.00 N ATOM 851 CA ASN A 56 3.086 -9.799 4.401 1.00 0.00 C ATOM 852 C ASN A 56 3.600 -9.022 5.634 1.00 0.00 C ATOM 853 O ASN A 56 3.590 -9.546 6.751 1.00 0.00 O ATOM 854 CB ASN A 56 4.238 -10.496 3.640 1.00 0.00 C ATOM 855 CG ASN A 56 4.387 -11.961 4.021 1.00 0.00 C ATOM 856 OD1 ASN A 56 4.779 -12.309 5.125 1.00 0.00 O ATOM 857 ND2 ASN A 56 4.088 -12.866 3.115 1.00 0.00 N ATOM 0 H ASN A 56 2.764 -9.035 2.501 1.00 0.00 H new ATOM 0 HA ASN A 56 2.394 -10.536 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.059 -10.419 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.173 -9.974 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.183 -13.858 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.761 -12.576 2.193 1.00 0.00 H new ATOM 864 N LYS A 57 4.014 -7.758 5.438 1.00 0.00 N ATOM 865 CA LYS A 57 4.444 -6.822 6.500 1.00 0.00 C ATOM 866 C LYS A 57 3.314 -5.922 7.019 1.00 0.00 C ATOM 867 O LYS A 57 3.329 -5.517 8.182 1.00 0.00 O ATOM 868 CB LYS A 57 5.611 -5.966 5.976 1.00 0.00 C ATOM 869 CG LYS A 57 6.879 -6.815 5.797 1.00 0.00 C ATOM 870 CD LYS A 57 8.096 -5.963 5.404 1.00 0.00 C ATOM 871 CE LYS A 57 9.409 -6.705 5.698 1.00 0.00 C ATOM 872 NZ LYS A 57 9.641 -7.852 4.780 1.00 0.00 N ATOM 0 H LYS A 57 4.061 -7.343 4.507 1.00 0.00 H new ATOM 0 HA LYS A 57 4.761 -7.424 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.335 -5.512 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.810 -5.151 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.093 -7.346 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.704 -7.570 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.044 -5.716 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.077 -5.021 5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.242 -6.006 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.395 -7.066 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.540 -8.315 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.862 -8.535 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.683 -7.509 3.799 1.00 0.00 H new ATOM 886 N VAL A 58 2.334 -5.620 6.167 1.00 0.00 N ATOM 887 CA VAL A 58 1.168 -4.759 6.438 1.00 0.00 C ATOM 888 C VAL A 58 0.213 -5.391 7.459 1.00 0.00 C ATOM 889 O VAL A 58 -0.195 -4.734 8.417 1.00 0.00 O ATOM 890 CB VAL A 58 0.417 -4.479 5.118 1.00 0.00 C ATOM 891 CG1 VAL A 58 -0.833 -3.613 5.270 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.329 -3.793 4.099 1.00 0.00 C ATOM 0 H VAL A 58 2.326 -5.987 5.215 1.00 0.00 H new ATOM 0 HA VAL A 58 1.533 -3.825 6.866 1.00 0.00 H new ATOM 0 HB VAL A 58 0.104 -5.466 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.296 -3.468 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.539 -4.107 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.556 -2.645 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.773 -3.608 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.682 -2.846 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.183 -4.436 3.884 1.00 0.00 H new ATOM 902 N GLY A 59 -0.192 -6.644 7.235 1.00 0.00 N ATOM 903 CA GLY A 59 -1.153 -7.414 8.041 1.00 0.00 C ATOM 904 C GLY A 59 -2.630 -6.987 7.933 1.00 0.00 C ATOM 905 O GLY A 59 -3.520 -7.797 8.205 1.00 0.00 O ATOM 0 H GLY A 59 0.160 -7.182 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.078 -8.463 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.853 -7.348 9.087 1.00 0.00 H new ATOM 909 N SER A 60 -2.908 -5.756 7.492 1.00 0.00 N ATOM 910 CA SER A 60 -4.248 -5.194 7.244 1.00 0.00 C ATOM 911 C SER A 60 -4.155 -3.927 6.386 1.00 0.00 C ATOM 912 O SER A 60 -4.522 -3.948 5.215 1.00 0.00 O ATOM 913 CB SER A 60 -4.988 -4.905 8.563 1.00 0.00 C ATOM 914 OG SER A 60 -4.221 -4.080 9.432 1.00 0.00 O ATOM 0 H SER A 60 -2.167 -5.086 7.286 1.00 0.00 H new ATOM 0 HA SER A 60 -4.824 -5.940 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.939 -4.419 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.218 -5.845 9.064 1.00 0.00 H new ATOM 0 HG SER A 60 -4.724 -3.917 10.257 1.00 0.00 H new ATOM 920 N VAL A 61 -3.613 -2.844 6.953 1.00 0.00 N ATOM 921 CA VAL A 61 -3.363 -1.534 6.315 1.00 0.00 C ATOM 922 C VAL A 61 -1.999 -0.940 6.665 1.00 0.00 C ATOM 923 O VAL A 61 -1.364 -0.338 5.804 1.00 0.00 O ATOM 924 CB VAL A 61 -4.452 -0.497 6.664 1.00 0.00 C ATOM 925 CG1 VAL A 61 -5.637 -0.635 5.713 1.00 0.00 C ATOM 926 CG2 VAL A 61 -4.947 -0.580 8.118 1.00 0.00 C ATOM 0 H VAL A 61 -3.317 -2.852 7.929 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.385 -1.744 5.246 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.982 0.480 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.398 0.102 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.303 -0.469 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.058 -1.637 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.710 0.180 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.371 -1.567 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.111 -0.411 8.797 1.00 0.00 H new ATOM 936 N GLY A 62 -1.530 -1.087 7.910 1.00 0.00 N ATOM 937 CA GLY A 62 -0.291 -0.466 8.404 1.00 0.00 C ATOM 938 C GLY A 62 -0.307 1.074 8.462 1.00 0.00 C ATOM 939 O GLY A 62 0.689 1.679 8.851 1.00 0.00 O ATOM 0 H GLY A 62 -2.007 -1.649 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.085 -0.849 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.534 -0.781 7.765 1.00 0.00 H new ATOM 943 N LEU A 63 -1.416 1.720 8.088 1.00 0.00 N ATOM 944 CA LEU A 63 -1.627 3.171 8.096 1.00 0.00 C ATOM 945 C LEU A 63 -2.250 3.633 9.432 1.00 0.00 C ATOM 946 O LEU A 63 -3.059 2.916 10.029 1.00 0.00 O ATOM 947 CB LEU A 63 -2.534 3.541 6.901 1.00 0.00 C ATOM 948 CG LEU A 63 -1.783 3.915 5.605 1.00 0.00 C ATOM 949 CD1 LEU A 63 -1.211 2.701 4.879 1.00 0.00 C ATOM 950 CD2 LEU A 63 -2.726 4.619 4.629 1.00 0.00 C ATOM 0 H LEU A 63 -2.237 1.216 7.753 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.669 3.682 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.194 2.700 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.168 4.379 7.191 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.964 4.564 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.695 3.027 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.508 2.184 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.021 2.023 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.183 4.877 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.554 3.955 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.114 5.527 5.089 1.00 0.00 H new ATOM 962 N ARG A 64 -1.908 4.852 9.877 1.00 0.00 N ATOM 963 CA ARG A 64 -2.422 5.515 11.095 1.00 0.00 C ATOM 964 C ARG A 64 -2.614 7.026 10.884 1.00 0.00 C ATOM 965 O ARG A 64 -1.668 7.738 10.570 1.00 0.00 O ATOM 966 CB ARG A 64 -1.488 5.188 12.286 1.00 0.00 C ATOM 967 CG ARG A 64 0.000 5.512 12.048 1.00 0.00 C ATOM 968 CD ARG A 64 0.897 5.078 13.208 1.00 0.00 C ATOM 969 NE ARG A 64 2.233 5.697 13.087 1.00 0.00 N ATOM 970 CZ ARG A 64 3.329 5.395 13.757 1.00 0.00 C ATOM 971 NH1 ARG A 64 3.386 4.380 14.572 1.00 0.00 N ATOM 972 NH2 ARG A 64 4.402 6.121 13.623 1.00 0.00 N ATOM 0 H ARG A 64 -1.235 5.433 9.377 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.414 5.127 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.830 5.741 13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.581 4.128 12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.332 5.019 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.112 6.585 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.441 5.365 14.155 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.992 3.992 13.216 1.00 0.00 H new ATOM 0 HE ARG A 64 2.319 6.449 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.566 3.789 14.709 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.251 4.176 15.073 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.398 6.927 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.247 5.883 14.143 1.00 0.00 H new ATOM 986 N GLU A 65 -3.836 7.543 10.987 1.00 0.00 N ATOM 987 CA GLU A 65 -4.118 8.986 10.842 1.00 0.00 C ATOM 988 C GLU A 65 -3.825 9.736 12.158 1.00 0.00 C ATOM 989 O GLU A 65 -4.329 9.362 13.220 1.00 0.00 O ATOM 990 CB GLU A 65 -5.584 9.179 10.411 1.00 0.00 C ATOM 991 CG GLU A 65 -5.927 10.648 10.114 1.00 0.00 C ATOM 992 CD GLU A 65 -7.356 10.832 9.553 1.00 0.00 C ATOM 993 OE1 GLU A 65 -8.270 10.033 9.877 1.00 0.00 O ATOM 994 OE2 GLU A 65 -7.585 11.809 8.800 1.00 0.00 O ATOM 0 H GLU A 65 -4.666 6.980 11.173 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.466 9.403 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.779 8.578 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.241 8.809 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.823 11.232 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.207 11.046 9.399 1.00 0.00 H new ATOM 1001 N ILE A 66 -3.009 10.794 12.082 1.00 0.00 N ATOM 1002 CA ILE A 66 -2.558 11.642 13.208 1.00 0.00 C ATOM 1003 C ILE A 66 -2.648 13.137 12.813 1.00 0.00 C ATOM 1004 O ILE A 66 -3.324 13.486 11.843 1.00 0.00 O ATOM 1005 CB ILE A 66 -1.147 11.200 13.703 1.00 0.00 C ATOM 1006 CG1 ILE A 66 -0.036 11.668 12.734 1.00 0.00 C ATOM 1007 CG2 ILE A 66 -1.096 9.682 13.971 1.00 0.00 C ATOM 1008 CD1 ILE A 66 1.312 10.939 12.815 1.00 0.00 C ATOM 0 H ILE A 66 -2.622 11.103 11.191 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.221 11.509 14.063 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.957 11.693 14.656 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.412 11.572 11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.142 12.729 12.909 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.099 9.406 14.315 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.828 9.423 14.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.325 9.142 13.052 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.000 11.364 12.084 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.729 11.055 13.816 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.166 9.880 12.603 1.00 0.00 H new ATOM 1020 N ILE A 67 -1.971 14.033 13.545 1.00 0.00 N ATOM 1021 CA ILE A 67 -1.860 15.483 13.266 1.00 0.00 C ATOM 1022 C ILE A 67 -1.437 15.827 11.819 1.00 0.00 C ATOM 1023 O ILE A 67 -1.833 16.870 11.296 1.00 0.00 O ATOM 1024 CB ILE A 67 -0.929 16.138 14.319 1.00 0.00 C ATOM 1025 CG1 ILE A 67 -0.882 17.678 14.226 1.00 0.00 C ATOM 1026 CG2 ILE A 67 0.516 15.604 14.247 1.00 0.00 C ATOM 1027 CD1 ILE A 67 -2.228 18.368 14.480 1.00 0.00 C ATOM 0 H ILE A 67 -1.461 13.761 14.386 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.862 15.902 13.352 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.375 15.860 15.274 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.154 18.052 14.946 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.524 17.960 13.236 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.124 16.096 15.006 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.516 14.528 14.424 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.931 15.809 13.260 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.105 19.448 14.395 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.956 18.027 13.744 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.581 18.120 15.481 1.00 0.00 H new ATOM 1039 N SER A 68 -0.652 14.967 11.156 1.00 0.00 N ATOM 1040 CA SER A 68 -0.188 15.160 9.774 1.00 0.00 C ATOM 1041 C SER A 68 -1.335 15.026 8.751 1.00 0.00 C ATOM 1042 O SER A 68 -1.716 13.928 8.335 1.00 0.00 O ATOM 1043 CB SER A 68 0.979 14.215 9.450 1.00 0.00 C ATOM 1044 OG SER A 68 1.914 14.850 8.594 1.00 0.00 O ATOM 0 H SER A 68 -0.314 14.100 11.573 1.00 0.00 H new ATOM 0 HA SER A 68 0.179 16.183 9.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.472 13.909 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.600 13.310 8.975 1.00 0.00 H new ATOM 0 HG SER A 68 2.651 14.234 8.400 1.00 0.00 H new ATOM 1050 N GLU A 69 -1.902 16.164 8.354 1.00 0.00 N ATOM 1051 CA GLU A 69 -3.016 16.330 7.408 1.00 0.00 C ATOM 1052 C GLU A 69 -2.668 17.375 6.325 1.00 0.00 C ATOM 1053 O GLU A 69 -1.682 18.108 6.451 1.00 0.00 O ATOM 1054 CB GLU A 69 -4.282 16.750 8.181 1.00 0.00 C ATOM 1055 CG GLU A 69 -4.885 15.615 9.021 1.00 0.00 C ATOM 1056 CD GLU A 69 -6.132 16.106 9.784 1.00 0.00 C ATOM 1057 OE1 GLU A 69 -5.989 16.755 10.849 1.00 0.00 O ATOM 1058 OE2 GLU A 69 -7.272 15.857 9.319 1.00 0.00 O ATOM 0 H GLU A 69 -1.574 17.063 8.708 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.199 15.381 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.039 17.587 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.030 17.106 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.154 14.780 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.142 15.245 9.728 1.00 0.00 H new ATOM 1065 N GLU A 70 -3.470 17.462 5.256 1.00 0.00 N ATOM 1066 CA GLU A 70 -3.257 18.426 4.163 1.00 0.00 C ATOM 1067 C GLU A 70 -3.508 19.881 4.612 1.00 0.00 C ATOM 1068 O GLU A 70 -2.571 20.682 4.636 1.00 0.00 O ATOM 1069 CB GLU A 70 -4.128 18.078 2.937 1.00 0.00 C ATOM 1070 CG GLU A 70 -3.379 17.269 1.869 1.00 0.00 C ATOM 1071 CD GLU A 70 -3.316 15.763 2.173 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -2.617 15.341 3.128 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -3.965 14.984 1.438 1.00 0.00 O ATOM 0 H GLU A 70 -4.287 16.866 5.122 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.208 18.350 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.998 17.511 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.499 19.000 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.865 17.417 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.364 17.656 1.777 1.00 0.00 H new ATOM 1080 N ASP A 71 -4.763 20.193 4.978 1.00 0.00 N ATOM 1081 CA ASP A 71 -5.325 21.502 5.390 1.00 0.00 C ATOM 1082 C ASP A 71 -5.178 22.678 4.387 1.00 0.00 C ATOM 1083 O ASP A 71 -6.225 23.120 3.862 1.00 0.00 O ATOM 1084 CB ASP A 71 -4.857 21.863 6.816 1.00 0.00 C ATOM 1085 CG ASP A 71 -5.512 23.156 7.352 1.00 0.00 C ATOM 1086 OD1 ASP A 71 -6.717 23.123 7.710 1.00 0.00 O ATOM 1087 OD2 ASP A 71 -4.823 24.202 7.452 1.00 0.00 O ATOM 1088 OXT ASP A 71 -4.058 23.176 4.130 1.00 0.00 O ATOM 0 H ASP A 71 -5.482 19.470 4.996 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.405 21.351 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.089 21.038 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.774 21.982 6.819 1.00 0.00 H new TER 1093 ASP A 71