USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 34 ASN : amide:sc= -0.892 X(o=-3.3,f=-3.3!) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.42 K(o=-3.3,f=-8.5!) USER MOD Single : A 3 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.71) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.6 USER MOD Single : A 24 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.037) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 151:sc= -2.11! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.924 USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= -0.752 (180deg=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -86:sc= 1.28 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 50:sc= 0.162 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 75 ASN : amide:sc= -3.6 K(o=-3.6,f=-15!) USER MOD Single : A 80 THR OG1 : rot 75:sc= 0.242 USER MOD Single : A 81 MET CE :methyl 166:sc= -3.73! (180deg=-4.47!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -77:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.375 -9.458 -9.972 1.00 0.00 N ATOM 2 CA ALA A 2 -6.748 -9.000 -8.601 1.00 0.00 C ATOM 3 C ALA A 2 -5.917 -7.773 -8.201 1.00 0.00 C ATOM 4 O ALA A 2 -6.184 -7.147 -7.194 1.00 0.00 O ATOM 5 CB ALA A 2 -6.495 -10.128 -7.600 1.00 0.00 C ATOM 0 HA ALA A 2 -7.804 -8.730 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.767 -9.794 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.098 -10.995 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.440 -10.400 -7.617 1.00 0.00 H new ATOM 13 N GLN A 3 -4.913 -7.419 -8.973 1.00 0.00 N ATOM 14 CA GLN A 3 -4.077 -6.231 -8.621 1.00 0.00 C ATOM 15 C GLN A 3 -4.951 -4.976 -8.584 1.00 0.00 C ATOM 16 O GLN A 3 -5.943 -4.882 -9.281 1.00 0.00 O ATOM 17 CB GLN A 3 -2.966 -6.047 -9.663 1.00 0.00 C ATOM 18 CG GLN A 3 -3.555 -6.108 -11.082 1.00 0.00 C ATOM 19 CD GLN A 3 -2.993 -7.320 -11.831 1.00 0.00 C ATOM 20 OE1 GLN A 3 -1.876 -7.732 -11.593 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.729 -7.913 -12.733 1.00 0.00 N ATOM 0 H GLN A 3 -4.640 -7.902 -9.829 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.629 -6.391 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.467 -5.090 -9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.211 -6.823 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.642 -6.174 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.316 -5.193 -11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.667 -7.567 -12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.365 -8.722 -13.237 1.00 0.00 H new ATOM 30 N LYS A 4 -4.589 -4.018 -7.771 1.00 0.00 N ATOM 31 CA LYS A 4 -5.396 -2.766 -7.678 1.00 0.00 C ATOM 32 C LYS A 4 -4.465 -1.553 -7.700 1.00 0.00 C ATOM 33 O LYS A 4 -3.277 -1.670 -7.477 1.00 0.00 O ATOM 34 CB LYS A 4 -6.191 -2.776 -6.370 1.00 0.00 C ATOM 35 CG LYS A 4 -7.136 -1.573 -6.333 1.00 0.00 C ATOM 36 CD LYS A 4 -8.339 -1.892 -5.439 1.00 0.00 C ATOM 37 CE LYS A 4 -9.523 -2.330 -6.305 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.407 -1.157 -6.563 1.00 0.00 N ATOM 0 H LYS A 4 -3.768 -4.049 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.081 -2.709 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.761 -3.701 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.511 -2.743 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.611 -0.696 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.473 -1.331 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.081 -2.681 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.610 -1.015 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.165 -2.744 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.083 -3.119 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.212 -1.452 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.758 -0.781 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.868 -0.419 -7.059 1.00 0.00 H new ATOM 52 N THR A 5 -5.000 -0.388 -7.968 1.00 0.00 N ATOM 53 CA THR A 5 -4.156 0.842 -8.005 1.00 0.00 C ATOM 54 C THR A 5 -4.715 1.869 -7.017 1.00 0.00 C ATOM 55 O THR A 5 -5.908 2.097 -6.961 1.00 0.00 O ATOM 56 CB THR A 5 -4.172 1.430 -9.419 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.822 0.418 -10.354 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.167 2.580 -9.508 1.00 0.00 C ATOM 0 H THR A 5 -5.990 -0.237 -8.163 1.00 0.00 H new ATOM 0 HA THR A 5 -3.132 0.591 -7.730 1.00 0.00 H new ATOM 0 HB THR A 5 -5.170 1.806 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.833 0.792 -11.260 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.180 2.997 -10.515 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.437 3.355 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.168 2.208 -9.282 1.00 0.00 H new ATOM 66 N PHE A 6 -3.862 2.486 -6.238 1.00 0.00 N ATOM 67 CA PHE A 6 -4.338 3.496 -5.249 1.00 0.00 C ATOM 68 C PHE A 6 -3.693 4.851 -5.550 1.00 0.00 C ATOM 69 O PHE A 6 -2.687 4.931 -6.231 1.00 0.00 O ATOM 70 CB PHE A 6 -3.945 3.056 -3.838 1.00 0.00 C ATOM 71 CG PHE A 6 -4.714 1.814 -3.458 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.326 0.567 -3.963 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.810 1.910 -2.594 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.037 -0.585 -3.605 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.521 0.758 -2.236 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.135 -0.489 -2.741 1.00 0.00 C ATOM 0 H PHE A 6 -2.854 2.332 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.422 3.582 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.874 2.860 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.152 3.855 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.479 0.494 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.108 2.872 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.739 -1.547 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.368 0.832 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.684 -1.377 -2.464 1.00 0.00 H new ATOM 86 N LYS A 7 -4.260 5.912 -5.036 1.00 0.00 N ATOM 87 CA LYS A 7 -3.681 7.267 -5.275 1.00 0.00 C ATOM 88 C LYS A 7 -3.313 7.898 -3.932 1.00 0.00 C ATOM 89 O LYS A 7 -4.142 8.025 -3.049 1.00 0.00 O ATOM 90 CB LYS A 7 -4.708 8.150 -5.992 1.00 0.00 C ATOM 91 CG LYS A 7 -4.892 7.661 -7.431 1.00 0.00 C ATOM 92 CD LYS A 7 -3.585 7.850 -8.208 1.00 0.00 C ATOM 93 CE LYS A 7 -3.895 8.197 -9.668 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.027 7.385 -10.566 1.00 0.00 N ATOM 0 H LYS A 7 -5.101 5.898 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.790 7.178 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.660 8.120 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.375 9.188 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.181 6.610 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.697 8.214 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.993 8.644 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.988 6.940 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.945 8.001 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.726 9.259 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.910 7.878 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.096 7.252 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.468 6.458 -10.730 1.00 0.00 H new ATOM 108 N VAL A 8 -2.074 8.284 -3.771 1.00 0.00 N ATOM 109 CA VAL A 8 -1.637 8.901 -2.482 1.00 0.00 C ATOM 110 C VAL A 8 -1.974 10.393 -2.491 1.00 0.00 C ATOM 111 O VAL A 8 -1.509 11.136 -3.336 1.00 0.00 O ATOM 112 CB VAL A 8 -0.122 8.727 -2.302 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.246 8.998 -0.844 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.293 7.294 -2.661 1.00 0.00 C ATOM 0 H VAL A 8 -1.344 8.199 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.156 8.409 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 8 0.395 9.427 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.321 8.876 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.039 10.017 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.282 8.295 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.369 7.183 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.227 6.591 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.031 7.089 -3.699 1.00 0.00 H new ATOM 124 N THR A 9 -2.775 10.837 -1.555 1.00 0.00 N ATOM 125 CA THR A 9 -3.144 12.284 -1.501 1.00 0.00 C ATOM 126 C THR A 9 -2.974 12.821 -0.073 1.00 0.00 C ATOM 127 O THR A 9 -3.485 13.873 0.260 1.00 0.00 O ATOM 128 CB THR A 9 -4.602 12.453 -1.935 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.900 11.519 -2.964 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.819 13.875 -2.455 1.00 0.00 C ATOM 0 H THR A 9 -3.190 10.258 -0.825 1.00 0.00 H new ATOM 0 HA THR A 9 -2.491 12.842 -2.172 1.00 0.00 H new ATOM 0 HB THR A 9 -5.258 12.276 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.834 11.625 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.857 13.995 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.591 14.590 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.164 14.055 -3.307 1.00 0.00 H new ATOM 138 N ALA A 10 -2.261 12.112 0.774 1.00 0.00 N ATOM 139 CA ALA A 10 -2.063 12.588 2.172 1.00 0.00 C ATOM 140 C ALA A 10 -0.999 13.686 2.192 1.00 0.00 C ATOM 141 O ALA A 10 -0.044 13.648 1.440 1.00 0.00 O ATOM 142 CB ALA A 10 -1.604 11.423 3.049 1.00 0.00 C ATOM 0 H ALA A 10 -1.810 11.225 0.552 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.004 12.984 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.459 11.772 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.361 10.638 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.664 11.027 2.665 1.00 0.00 H new ATOM 148 N ASP A 11 -1.156 14.661 3.052 1.00 0.00 N ATOM 149 CA ASP A 11 -0.155 15.765 3.132 1.00 0.00 C ATOM 150 C ASP A 11 1.205 15.193 3.545 1.00 0.00 C ATOM 151 O ASP A 11 2.242 15.719 3.188 1.00 0.00 O ATOM 152 CB ASP A 11 -0.611 16.793 4.169 1.00 0.00 C ATOM 153 CG ASP A 11 0.272 18.038 4.076 1.00 0.00 C ATOM 154 OD1 ASP A 11 1.312 18.051 4.714 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.106 18.958 3.370 1.00 0.00 O ATOM 0 H ASP A 11 -1.937 14.739 3.703 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.067 16.246 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.654 17.060 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.552 16.366 5.170 1.00 0.00 H new ATOM 160 N SER A 12 1.205 14.118 4.292 1.00 0.00 N ATOM 161 CA SER A 12 2.492 13.503 4.730 1.00 0.00 C ATOM 162 C SER A 12 2.942 12.470 3.696 1.00 0.00 C ATOM 163 O SER A 12 4.121 12.246 3.501 1.00 0.00 O ATOM 164 CB SER A 12 2.300 12.813 6.082 1.00 0.00 C ATOM 165 OG SER A 12 0.987 12.272 6.154 1.00 0.00 O ATOM 0 H SER A 12 0.365 13.639 4.618 1.00 0.00 H new ATOM 0 HA SER A 12 3.249 14.282 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.039 12.021 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.457 13.526 6.892 1.00 0.00 H new ATOM 0 HG SER A 12 0.863 11.828 7.019 1.00 0.00 H new ATOM 171 N GLY A 13 2.006 11.839 3.033 1.00 0.00 N ATOM 172 CA GLY A 13 2.367 10.815 2.010 1.00 0.00 C ATOM 173 C GLY A 13 2.375 9.429 2.657 1.00 0.00 C ATOM 174 O GLY A 13 1.646 9.171 3.597 1.00 0.00 O ATOM 0 H GLY A 13 1.005 11.990 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.653 10.840 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.347 11.037 1.588 1.00 0.00 H new ATOM 178 N ILE A 14 3.195 8.538 2.163 1.00 0.00 N ATOM 179 CA ILE A 14 3.258 7.165 2.745 1.00 0.00 C ATOM 180 C ILE A 14 4.613 6.963 3.427 1.00 0.00 C ATOM 181 O ILE A 14 5.575 6.550 2.807 1.00 0.00 O ATOM 182 CB ILE A 14 3.083 6.128 1.633 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.794 6.425 0.864 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.000 4.730 2.248 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.681 5.481 -0.335 1.00 0.00 C ATOM 0 H ILE A 14 3.826 8.703 1.379 1.00 0.00 H new ATOM 0 HA ILE A 14 2.461 7.044 3.479 1.00 0.00 H new ATOM 0 HB ILE A 14 3.933 6.174 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.932 6.302 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.791 7.461 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.875 3.991 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.917 4.520 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.149 4.681 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.762 5.695 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.537 5.626 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.663 4.449 0.015 1.00 0.00 H new HETATM 197 N HIP A 15 4.691 7.253 4.701 1.00 0.00 N HETATM 198 CA HIP A 15 5.975 7.085 5.436 1.00 0.00 C HETATM 199 CB HIP A 15 6.260 8.338 6.290 1.00 0.00 C HETATM 200 CG HIP A 15 5.166 8.612 7.292 1.00 0.00 C HETATM 201 CD2 HIP A 15 3.862 9.003 7.129 1.00 0.00 C HETATM 202 NE2 HIP A 15 3.266 9.175 8.367 1.00 0.00 N HETATM 203 CE1 HIP A 15 4.210 8.891 9.259 1.00 0.00 C HETATM 204 ND1 HIP A 15 5.377 8.546 8.671 1.00 0.00 N HETATM 205 P HIP A 15 6.713 8.537 9.338 1.00 0.00 P HETATM 206 O1P HIP A 15 7.662 9.395 8.592 1.00 0.00 O HETATM 207 O2P HIP A 15 7.232 7.155 9.424 1.00 0.00 O HETATM 208 O3P HIP A 15 6.419 9.092 10.681 1.00 0.00 O HETATM 209 C HIP A 15 5.924 5.807 6.291 1.00 0.00 C HETATM 210 O HIP A 15 5.116 4.931 6.053 1.00 0.00 O HETATM 0 HE2 HIP A 15 2.305 9.460 8.555 1.00 0.00 H new HETATM 0 HE1 HIP A 15 4.060 8.932 10.338 1.00 0.00 H new HETATM 0 HD2 HIP A 15 3.369 9.156 6.169 1.00 0.00 H new HETATM 0 HB3 HIP A 15 7.206 8.209 6.815 1.00 0.00 H new HETATM 0 HB2 HIP A 15 6.374 9.202 5.636 1.00 0.00 H new HETATM 0 HA HIP A 15 6.795 6.976 4.726 1.00 0.00 H new HETATM 0 H HIP A 15 4.149 8.110 4.811 1.00 0.00 H new ATOM 218 N ALA A 16 6.806 5.674 7.248 1.00 0.00 N ATOM 219 CA ALA A 16 6.852 4.431 8.088 1.00 0.00 C ATOM 220 C ALA A 16 5.530 4.159 8.833 1.00 0.00 C ATOM 221 O ALA A 16 5.079 3.031 8.877 1.00 0.00 O ATOM 222 CB ALA A 16 7.984 4.558 9.108 1.00 0.00 C ATOM 0 H ALA A 16 7.504 6.378 7.488 1.00 0.00 H new ATOM 0 HA ALA A 16 7.021 3.592 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.023 3.658 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.932 4.682 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.804 5.424 9.745 1.00 0.00 H new ATOM 228 N ARG A 17 4.924 5.150 9.449 1.00 0.00 N ATOM 229 CA ARG A 17 3.654 4.895 10.218 1.00 0.00 C ATOM 230 C ARG A 17 2.591 4.199 9.337 1.00 0.00 C ATOM 231 O ARG A 17 2.108 3.143 9.706 1.00 0.00 O ATOM 232 CB ARG A 17 3.094 6.211 10.774 1.00 0.00 C ATOM 233 CG ARG A 17 2.624 6.002 12.216 1.00 0.00 C ATOM 234 CD ARG A 17 2.286 7.355 12.847 1.00 0.00 C ATOM 235 NE ARG A 17 0.986 7.845 12.307 1.00 0.00 N ATOM 236 CZ ARG A 17 0.549 9.029 12.640 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.093 10.096 12.123 1.00 0.00 N ATOM 238 NH2 ARG A 17 -0.435 9.146 13.490 1.00 0.00 N ATOM 0 H ARG A 17 5.248 6.117 9.455 1.00 0.00 H new ATOM 0 HA ARG A 17 3.896 4.229 11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.859 6.987 10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.264 6.554 10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.749 5.352 12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.402 5.504 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.228 7.258 13.931 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.075 8.075 12.633 1.00 0.00 H new ATOM 0 HE ARG A 17 0.439 7.256 11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.861 10.006 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.751 11.021 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.862 8.312 13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.777 10.071 13.750 1.00 0.00 H new ATOM 252 N PRO A 18 2.244 4.777 8.199 1.00 0.00 N ATOM 253 CA PRO A 18 1.239 4.160 7.310 1.00 0.00 C ATOM 254 C PRO A 18 1.801 2.888 6.669 1.00 0.00 C ATOM 255 O PRO A 18 1.062 2.013 6.261 1.00 0.00 O ATOM 256 CB PRO A 18 0.948 5.245 6.269 1.00 0.00 C ATOM 257 CG PRO A 18 2.164 6.193 6.282 1.00 0.00 C ATOM 258 CD PRO A 18 2.804 6.049 7.677 1.00 0.00 C ATOM 0 HA PRO A 18 0.335 3.848 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.806 4.808 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.032 5.783 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.874 5.927 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.857 7.223 6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.892 6.011 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.551 6.891 8.321 1.00 0.00 H new ATOM 266 N ALA A 19 3.105 2.767 6.602 1.00 0.00 N ATOM 267 CA ALA A 19 3.718 1.541 6.017 1.00 0.00 C ATOM 268 C ALA A 19 3.604 0.388 7.024 1.00 0.00 C ATOM 269 O ALA A 19 3.657 -0.771 6.658 1.00 0.00 O ATOM 270 CB ALA A 19 5.193 1.803 5.707 1.00 0.00 C ATOM 0 H ALA A 19 3.770 3.468 6.929 1.00 0.00 H new ATOM 0 HA ALA A 19 3.197 1.277 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.640 0.906 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.275 2.624 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.717 2.066 6.626 1.00 0.00 H new ATOM 276 N THR A 20 3.439 0.701 8.291 1.00 0.00 N ATOM 277 CA THR A 20 3.311 -0.365 9.325 1.00 0.00 C ATOM 278 C THR A 20 1.867 -0.868 9.348 1.00 0.00 C ATOM 279 O THR A 20 1.604 -2.020 9.640 1.00 0.00 O ATOM 280 CB THR A 20 3.671 0.213 10.694 1.00 0.00 C ATOM 281 OG1 THR A 20 4.689 1.192 10.541 1.00 0.00 O ATOM 282 CG2 THR A 20 4.168 -0.906 11.610 1.00 0.00 C ATOM 0 H THR A 20 3.388 1.655 8.649 1.00 0.00 H new ATOM 0 HA THR A 20 3.984 -1.190 9.091 1.00 0.00 H new ATOM 0 HB THR A 20 2.788 0.674 11.137 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.299 2.017 10.183 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.424 -0.491 12.585 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.384 -1.654 11.728 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.050 -1.371 11.171 1.00 0.00 H new ATOM 290 N VAL A 21 0.931 -0.009 9.034 1.00 0.00 N ATOM 291 CA VAL A 21 -0.503 -0.424 9.024 1.00 0.00 C ATOM 292 C VAL A 21 -0.735 -1.370 7.852 1.00 0.00 C ATOM 293 O VAL A 21 -1.537 -2.282 7.917 1.00 0.00 O ATOM 294 CB VAL A 21 -1.394 0.801 8.842 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.853 0.410 9.087 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.987 1.899 9.830 1.00 0.00 C ATOM 0 H VAL A 21 1.100 0.965 8.783 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.743 -0.916 9.967 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.280 1.177 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.491 1.284 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.147 -0.362 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.962 0.029 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.629 2.769 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.093 1.528 10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.051 2.182 9.652 1.00 0.00 H new ATOM 306 N LEU A 22 -0.043 -1.135 6.775 1.00 0.00 N ATOM 307 CA LEU A 22 -0.204 -1.977 5.563 1.00 0.00 C ATOM 308 C LEU A 22 0.521 -3.318 5.740 1.00 0.00 C ATOM 309 O LEU A 22 -0.039 -4.366 5.490 1.00 0.00 O ATOM 310 CB LEU A 22 0.385 -1.216 4.379 1.00 0.00 C ATOM 311 CG LEU A 22 -0.465 0.028 4.107 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.434 1.163 3.616 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.507 -0.297 3.033 1.00 0.00 C ATOM 0 H LEU A 22 0.639 -0.382 6.683 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.260 -2.187 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.414 -0.928 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.409 -1.855 3.496 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.967 0.335 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.171 2.049 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.179 1.392 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.936 0.858 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.115 0.586 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.002 -0.601 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.147 -1.108 3.381 1.00 0.00 H new ATOM 325 N VAL A 23 1.759 -3.294 6.165 1.00 0.00 N ATOM 326 CA VAL A 23 2.524 -4.572 6.352 1.00 0.00 C ATOM 327 C VAL A 23 1.768 -5.504 7.315 1.00 0.00 C ATOM 328 O VAL A 23 1.904 -6.711 7.253 1.00 0.00 O ATOM 329 CB VAL A 23 3.917 -4.247 6.920 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.770 -3.514 8.253 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.715 -5.540 7.135 1.00 0.00 C ATOM 0 H VAL A 23 2.277 -2.445 6.392 1.00 0.00 H new ATOM 0 HA VAL A 23 2.630 -5.076 5.391 1.00 0.00 H new ATOM 0 HB VAL A 23 4.448 -3.613 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.758 -3.285 8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.217 -2.587 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.230 -4.146 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.699 -5.298 7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.184 -6.183 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.830 -6.059 6.184 1.00 0.00 H new ATOM 341 N GLN A 24 0.984 -4.950 8.205 1.00 0.00 N ATOM 342 CA GLN A 24 0.230 -5.794 9.181 1.00 0.00 C ATOM 343 C GLN A 24 -0.943 -6.494 8.485 1.00 0.00 C ATOM 344 O GLN A 24 -1.088 -7.699 8.562 1.00 0.00 O ATOM 345 CB GLN A 24 -0.306 -4.906 10.308 1.00 0.00 C ATOM 346 CG GLN A 24 0.837 -4.518 11.259 1.00 0.00 C ATOM 347 CD GLN A 24 0.531 -5.015 12.675 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.643 -4.272 13.630 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.147 -6.250 12.852 1.00 0.00 N ATOM 0 H GLN A 24 0.833 -3.945 8.298 1.00 0.00 H new ATOM 0 HA GLN A 24 0.901 -6.550 9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.763 -4.009 9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.085 -5.433 10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.775 -4.948 10.908 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.965 -3.436 11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.053 -6.875 12.051 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.059 -6.590 13.791 1.00 0.00 H new ATOM 358 N THR A 25 -1.787 -5.745 7.826 1.00 0.00 N ATOM 359 CA THR A 25 -2.966 -6.355 7.140 1.00 0.00 C ATOM 360 C THR A 25 -2.505 -7.350 6.066 1.00 0.00 C ATOM 361 O THR A 25 -2.828 -8.521 6.116 1.00 0.00 O ATOM 362 CB THR A 25 -3.796 -5.250 6.484 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.859 -4.130 7.356 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.209 -5.765 6.210 1.00 0.00 C ATOM 0 H THR A 25 -1.711 -4.732 7.732 1.00 0.00 H new ATOM 0 HA THR A 25 -3.568 -6.886 7.877 1.00 0.00 H new ATOM 0 HB THR A 25 -3.332 -4.955 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.389 -3.419 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.799 -4.977 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.160 -6.625 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.677 -6.060 7.149 1.00 0.00 H new ATOM 372 N ALA A 26 -1.766 -6.886 5.090 1.00 0.00 N ATOM 373 CA ALA A 26 -1.290 -7.790 3.994 1.00 0.00 C ATOM 374 C ALA A 26 -0.523 -8.986 4.571 1.00 0.00 C ATOM 375 O ALA A 26 -0.465 -10.039 3.966 1.00 0.00 O ATOM 376 CB ALA A 26 -0.370 -7.007 3.054 1.00 0.00 C ATOM 0 H ALA A 26 -1.469 -5.914 5.003 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.157 -8.161 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.022 -7.663 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.918 -6.169 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.487 -6.631 3.613 1.00 0.00 H new ATOM 382 N SER A 27 0.068 -8.831 5.730 1.00 0.00 N ATOM 383 CA SER A 27 0.832 -9.961 6.342 1.00 0.00 C ATOM 384 C SER A 27 -0.120 -11.129 6.622 1.00 0.00 C ATOM 385 O SER A 27 0.206 -12.277 6.387 1.00 0.00 O ATOM 386 CB SER A 27 1.476 -9.493 7.650 1.00 0.00 C ATOM 387 OG SER A 27 1.866 -10.625 8.421 1.00 0.00 O ATOM 0 H SER A 27 0.054 -7.971 6.278 1.00 0.00 H new ATOM 0 HA SER A 27 1.612 -10.289 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.344 -8.869 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.773 -8.880 8.215 1.00 0.00 H new ATOM 0 HG SER A 27 2.279 -10.325 9.257 1.00 0.00 H new ATOM 393 N LYS A 28 -1.292 -10.838 7.123 1.00 0.00 N ATOM 394 CA LYS A 28 -2.276 -11.919 7.425 1.00 0.00 C ATOM 395 C LYS A 28 -2.703 -12.624 6.132 1.00 0.00 C ATOM 396 O LYS A 28 -3.188 -13.739 6.163 1.00 0.00 O ATOM 397 CB LYS A 28 -3.504 -11.308 8.101 1.00 0.00 C ATOM 398 CG LYS A 28 -3.092 -10.685 9.436 1.00 0.00 C ATOM 399 CD LYS A 28 -2.864 -11.793 10.466 1.00 0.00 C ATOM 400 CE LYS A 28 -4.190 -12.493 10.765 1.00 0.00 C ATOM 401 NZ LYS A 28 -4.174 -13.008 12.163 1.00 0.00 N ATOM 0 H LYS A 28 -1.611 -9.893 7.337 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.812 -12.649 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.949 -10.551 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.262 -12.074 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.182 -10.098 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.867 -10.002 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.138 -12.513 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.448 -11.373 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.019 -11.798 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.346 -13.314 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.075 -13.484 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.392 -13.684 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.044 -12.215 12.823 1.00 0.00 H new ATOM 415 N TYR A 29 -2.537 -11.983 4.998 1.00 0.00 N ATOM 416 CA TYR A 29 -2.943 -12.622 3.710 1.00 0.00 C ATOM 417 C TYR A 29 -1.772 -13.427 3.142 1.00 0.00 C ATOM 418 O TYR A 29 -0.647 -12.964 3.100 1.00 0.00 O ATOM 419 CB TYR A 29 -3.360 -11.540 2.710 1.00 0.00 C ATOM 420 CG TYR A 29 -4.685 -10.956 3.140 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.867 -11.675 2.927 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.731 -9.700 3.757 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.096 -11.139 3.330 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.961 -9.164 4.161 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.143 -9.885 3.947 1.00 0.00 C ATOM 426 OH TYR A 29 -8.355 -9.359 4.345 1.00 0.00 O ATOM 0 H TYR A 29 -2.139 -11.048 4.912 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.784 -13.291 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.602 -10.758 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.443 -11.964 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.831 -12.644 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.819 -9.145 3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.008 -11.694 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.998 -8.195 4.637 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.219 -8.772 5.117 1.00 0.00 H new ATOM 436 N ASP A 30 -2.034 -14.634 2.708 1.00 0.00 N ATOM 437 CA ASP A 30 -0.950 -15.490 2.142 1.00 0.00 C ATOM 438 C ASP A 30 -0.619 -15.044 0.714 1.00 0.00 C ATOM 439 O ASP A 30 0.463 -15.295 0.217 1.00 0.00 O ATOM 440 CB ASP A 30 -1.414 -16.949 2.122 1.00 0.00 C ATOM 441 CG ASP A 30 -1.764 -17.394 3.543 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.024 -17.050 4.450 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.765 -18.074 3.701 1.00 0.00 O ATOM 0 H ASP A 30 -2.958 -15.065 2.722 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.059 -15.393 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.282 -17.056 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.629 -17.586 1.713 1.00 0.00 H new ATOM 448 N ALA A 31 -1.539 -14.386 0.047 1.00 0.00 N ATOM 449 CA ALA A 31 -1.277 -13.926 -1.352 1.00 0.00 C ATOM 450 C ALA A 31 -0.037 -13.026 -1.380 1.00 0.00 C ATOM 451 O ALA A 31 0.279 -12.361 -0.413 1.00 0.00 O ATOM 452 CB ALA A 31 -2.487 -13.141 -1.864 1.00 0.00 C ATOM 0 H ALA A 31 -2.461 -14.148 0.413 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.106 -14.793 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.298 -12.805 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.369 -13.782 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.658 -12.276 -1.223 1.00 0.00 H new ATOM 458 N ASP A 32 0.666 -13.010 -2.484 1.00 0.00 N ATOM 459 CA ASP A 32 1.889 -12.164 -2.586 1.00 0.00 C ATOM 460 C ASP A 32 1.510 -10.776 -3.104 1.00 0.00 C ATOM 461 O ASP A 32 1.540 -10.517 -4.292 1.00 0.00 O ATOM 462 CB ASP A 32 2.881 -12.817 -3.552 1.00 0.00 C ATOM 463 CG ASP A 32 3.278 -14.197 -3.025 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.567 -14.298 -1.844 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.288 -15.130 -3.811 1.00 0.00 O ATOM 0 H ASP A 32 0.443 -13.549 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 32 2.348 -12.070 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.433 -12.910 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.766 -12.189 -3.660 1.00 0.00 H new ATOM 470 N VAL A 33 1.158 -9.882 -2.215 1.00 0.00 N ATOM 471 CA VAL A 33 0.779 -8.502 -2.639 1.00 0.00 C ATOM 472 C VAL A 33 2.034 -7.622 -2.654 1.00 0.00 C ATOM 473 O VAL A 33 2.675 -7.428 -1.638 1.00 0.00 O ATOM 474 CB VAL A 33 -0.254 -7.932 -1.652 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.519 -8.808 -1.661 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.342 -7.898 -0.234 1.00 0.00 C ATOM 0 H VAL A 33 1.117 -10.050 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 33 0.342 -8.524 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.516 -6.918 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.248 -8.401 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.946 -8.820 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.260 -9.825 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.394 -7.493 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.612 -8.909 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.231 -7.268 -0.228 1.00 0.00 H new ATOM 486 N ASN A 34 2.397 -7.100 -3.800 1.00 0.00 N ATOM 487 CA ASN A 34 3.620 -6.245 -3.882 1.00 0.00 C ATOM 488 C ASN A 34 3.253 -4.843 -4.380 1.00 0.00 C ATOM 489 O ASN A 34 2.664 -4.682 -5.431 1.00 0.00 O ATOM 490 CB ASN A 34 4.619 -6.882 -4.852 1.00 0.00 C ATOM 491 CG ASN A 34 4.877 -8.334 -4.442 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.806 -8.672 -3.277 1.00 0.00 O ATOM 493 ND2 ASN A 34 5.174 -9.215 -5.359 1.00 0.00 N ATOM 0 H ASN A 34 1.899 -7.229 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 34 4.065 -6.165 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.229 -6.844 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.553 -6.321 -4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.346 -10.186 -5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.234 -8.933 -6.337 1.00 0.00 H new ATOM 500 N LEU A 35 3.612 -3.830 -3.631 1.00 0.00 N ATOM 501 CA LEU A 35 3.305 -2.429 -4.050 1.00 0.00 C ATOM 502 C LEU A 35 4.477 -1.885 -4.874 1.00 0.00 C ATOM 503 O LEU A 35 5.625 -2.165 -4.587 1.00 0.00 O ATOM 504 CB LEU A 35 3.106 -1.555 -2.808 1.00 0.00 C ATOM 505 CG LEU A 35 2.597 -0.175 -3.229 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.643 0.366 -2.162 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.782 0.782 -3.379 1.00 0.00 C ATOM 0 H LEU A 35 4.107 -3.915 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 35 2.395 -2.416 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.394 -2.025 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.046 -1.457 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 35 2.071 -0.259 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.281 1.349 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.798 -0.314 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.170 0.448 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.420 1.765 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.307 0.863 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.465 0.400 -4.138 1.00 0.00 H new ATOM 519 N GLU A 36 4.196 -1.110 -5.894 1.00 0.00 N ATOM 520 CA GLU A 36 5.297 -0.549 -6.736 1.00 0.00 C ATOM 521 C GLU A 36 5.107 0.959 -6.900 1.00 0.00 C ATOM 522 O GLU A 36 4.009 1.473 -6.794 1.00 0.00 O ATOM 523 CB GLU A 36 5.281 -1.211 -8.118 1.00 0.00 C ATOM 524 CG GLU A 36 6.533 -0.799 -8.902 1.00 0.00 C ATOM 525 CD GLU A 36 6.509 -1.460 -10.283 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.427 -1.605 -10.830 1.00 0.00 O ATOM 527 OE2 GLU A 36 7.571 -1.808 -10.770 1.00 0.00 O ATOM 0 H GLU A 36 3.254 -0.843 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 36 6.251 -0.745 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.247 -2.295 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.385 -0.915 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.570 0.285 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.430 -1.098 -8.359 1.00 0.00 H new ATOM 534 N TYR A 37 6.173 1.664 -7.165 1.00 0.00 N ATOM 535 CA TYR A 37 6.085 3.140 -7.350 1.00 0.00 C ATOM 536 C TYR A 37 7.114 3.559 -8.405 1.00 0.00 C ATOM 537 O TYR A 37 8.297 3.590 -8.143 1.00 0.00 O ATOM 538 CB TYR A 37 6.380 3.839 -6.011 1.00 0.00 C ATOM 539 CG TYR A 37 6.375 5.348 -6.177 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.367 5.980 -6.920 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.384 6.115 -5.580 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.371 7.371 -7.066 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.388 7.507 -5.727 1.00 0.00 C ATOM 544 CZ TYR A 37 6.381 8.135 -6.469 1.00 0.00 C ATOM 545 OH TYR A 37 6.386 9.508 -6.614 1.00 0.00 O ATOM 0 H TYR A 37 7.111 1.276 -7.262 1.00 0.00 H new ATOM 0 HA TYR A 37 5.086 3.425 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.634 3.548 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.349 3.514 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.587 5.392 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.160 5.631 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.595 7.856 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.168 8.096 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 37 7.154 9.885 -6.136 1.00 0.00 H new ATOM 555 N ASN A 38 6.660 3.869 -9.597 1.00 0.00 N ATOM 556 CA ASN A 38 7.586 4.281 -10.705 1.00 0.00 C ATOM 557 C ASN A 38 8.349 3.050 -11.218 1.00 0.00 C ATOM 558 O ASN A 38 7.977 2.457 -12.214 1.00 0.00 O ATOM 559 CB ASN A 38 8.577 5.361 -10.219 1.00 0.00 C ATOM 560 CG ASN A 38 8.359 6.660 -11.001 1.00 0.00 C ATOM 561 OD1 ASN A 38 7.838 7.621 -10.471 1.00 0.00 O ATOM 562 ND2 ASN A 38 8.739 6.728 -12.247 1.00 0.00 N ATOM 0 H ASN A 38 5.673 3.854 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 38 6.996 4.706 -11.517 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.438 5.541 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.601 5.013 -10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.599 7.588 -12.777 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.176 5.921 -12.692 1.00 0.00 H new ATOM 569 N GLY A 39 9.406 2.662 -10.549 1.00 0.00 N ATOM 570 CA GLY A 39 10.187 1.470 -10.992 1.00 0.00 C ATOM 571 C GLY A 39 10.728 0.730 -9.765 1.00 0.00 C ATOM 572 O GLY A 39 11.735 0.053 -9.834 1.00 0.00 O ATOM 0 H GLY A 39 9.762 3.123 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.555 0.806 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.010 1.780 -11.636 1.00 0.00 H new ATOM 576 N LYS A 40 10.061 0.853 -8.644 1.00 0.00 N ATOM 577 CA LYS A 40 10.521 0.159 -7.408 1.00 0.00 C ATOM 578 C LYS A 40 9.384 -0.711 -6.876 1.00 0.00 C ATOM 579 O LYS A 40 8.469 -0.226 -6.235 1.00 0.00 O ATOM 580 CB LYS A 40 10.907 1.198 -6.352 1.00 0.00 C ATOM 581 CG LYS A 40 12.240 1.843 -6.732 1.00 0.00 C ATOM 582 CD LYS A 40 12.355 3.212 -6.058 1.00 0.00 C ATOM 583 CE LYS A 40 13.664 3.881 -6.481 1.00 0.00 C ATOM 584 NZ LYS A 40 13.504 5.362 -6.427 1.00 0.00 N ATOM 0 H LYS A 40 9.213 1.409 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 40 11.387 -0.463 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.131 1.960 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.986 0.725 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.067 1.203 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.308 1.952 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.508 3.838 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.326 3.099 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.474 3.568 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.934 3.570 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.393 5.818 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.742 5.653 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.265 5.650 -5.457 1.00 0.00 H new ATOM 598 N THR A 41 9.428 -1.990 -7.147 1.00 0.00 N ATOM 599 CA THR A 41 8.345 -2.895 -6.671 1.00 0.00 C ATOM 600 C THR A 41 8.693 -3.442 -5.286 1.00 0.00 C ATOM 601 O THR A 41 9.264 -4.509 -5.158 1.00 0.00 O ATOM 602 CB THR A 41 8.185 -4.060 -7.652 1.00 0.00 C ATOM 603 OG1 THR A 41 8.047 -3.550 -8.970 1.00 0.00 O ATOM 604 CG2 THR A 41 6.942 -4.873 -7.283 1.00 0.00 C ATOM 0 H THR A 41 10.170 -2.445 -7.679 1.00 0.00 H new ATOM 0 HA THR A 41 7.412 -2.334 -6.611 1.00 0.00 H new ATOM 0 HB THR A 41 9.064 -4.703 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.946 -4.294 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.829 -5.702 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.050 -5.263 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.061 -4.233 -7.333 1.00 0.00 H new ATOM 612 N VAL A 42 8.338 -2.724 -4.250 1.00 0.00 N ATOM 613 CA VAL A 42 8.630 -3.211 -2.867 1.00 0.00 C ATOM 614 C VAL A 42 7.457 -4.056 -2.385 1.00 0.00 C ATOM 615 O VAL A 42 6.317 -3.796 -2.721 1.00 0.00 O ATOM 616 CB VAL A 42 8.820 -2.036 -1.897 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.177 -1.373 -2.138 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.701 -1.007 -2.088 1.00 0.00 C ATOM 0 H VAL A 42 7.860 -1.824 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 42 9.549 -3.797 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 42 8.783 -2.416 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.303 -0.541 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.972 -2.102 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.225 -1.003 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.846 -0.178 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.722 -0.632 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.737 -1.477 -1.894 1.00 0.00 H new ATOM 628 N ASN A 43 7.728 -5.061 -1.598 1.00 0.00 N ATOM 629 CA ASN A 43 6.630 -5.926 -1.084 1.00 0.00 C ATOM 630 C ASN A 43 5.798 -5.131 -0.079 1.00 0.00 C ATOM 631 O ASN A 43 6.325 -4.349 0.689 1.00 0.00 O ATOM 632 CB ASN A 43 7.231 -7.152 -0.390 1.00 0.00 C ATOM 633 CG ASN A 43 6.188 -8.272 -0.308 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.099 -8.153 -0.840 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.477 -9.366 0.342 1.00 0.00 N ATOM 0 H ASN A 43 8.665 -5.320 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 43 5.998 -6.251 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.106 -7.499 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.569 -6.884 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.792 -10.119 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.388 -9.468 0.788 1.00 0.00 H new ATOM 642 N LEU A 44 4.501 -5.329 -0.070 1.00 0.00 N ATOM 643 CA LEU A 44 3.623 -4.591 0.897 1.00 0.00 C ATOM 644 C LEU A 44 4.153 -4.810 2.322 1.00 0.00 C ATOM 645 O LEU A 44 4.012 -3.965 3.186 1.00 0.00 O ATOM 646 CB LEU A 44 2.184 -5.128 0.768 1.00 0.00 C ATOM 647 CG LEU A 44 1.149 -4.145 1.353 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.316 -4.049 2.867 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.309 -2.749 0.731 1.00 0.00 C ATOM 0 H LEU A 44 4.010 -5.971 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 44 3.627 -3.523 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.958 -5.311 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.106 -6.086 1.282 1.00 0.00 H new ATOM 0 HG LEU A 44 0.153 -4.521 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.581 -3.353 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.167 -5.033 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.319 -3.693 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.569 -2.073 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.310 -2.370 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.162 -2.812 -0.347 1.00 0.00 H new ATOM 661 N LYS A 45 4.786 -5.933 2.557 1.00 0.00 N ATOM 662 CA LYS A 45 5.351 -6.212 3.908 1.00 0.00 C ATOM 663 C LYS A 45 6.797 -5.701 3.949 1.00 0.00 C ATOM 664 O LYS A 45 7.730 -6.450 4.175 1.00 0.00 O ATOM 665 CB LYS A 45 5.326 -7.722 4.183 1.00 0.00 C ATOM 666 CG LYS A 45 3.939 -8.289 3.861 1.00 0.00 C ATOM 667 CD LYS A 45 3.915 -8.802 2.414 1.00 0.00 C ATOM 668 CE LYS A 45 3.220 -10.164 2.357 1.00 0.00 C ATOM 669 NZ LYS A 45 1.764 -9.992 2.625 1.00 0.00 N ATOM 0 H LYS A 45 4.935 -6.669 1.867 1.00 0.00 H new ATOM 0 HA LYS A 45 4.756 -5.708 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.082 -8.223 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.573 -7.914 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.698 -9.099 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.180 -7.519 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.393 -8.090 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.932 -8.887 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.369 -10.619 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.659 -10.839 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.499 -10.541 3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.558 -8.986 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.218 -10.329 1.806 1.00 0.00 H new ATOM 683 N SER A 46 6.984 -4.424 3.724 1.00 0.00 N ATOM 684 CA SER A 46 8.356 -3.844 3.739 1.00 0.00 C ATOM 685 C SER A 46 8.273 -2.389 4.191 1.00 0.00 C ATOM 686 O SER A 46 8.121 -1.488 3.389 1.00 0.00 O ATOM 687 CB SER A 46 8.960 -3.911 2.332 1.00 0.00 C ATOM 688 OG SER A 46 10.377 -3.969 2.433 1.00 0.00 O ATOM 0 H SER A 46 6.238 -3.757 3.530 1.00 0.00 H new ATOM 0 HA SER A 46 8.987 -4.409 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.585 -4.788 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.660 -3.038 1.753 1.00 0.00 H new ATOM 0 HG SER A 46 10.767 -4.014 1.535 1.00 0.00 H new ATOM 694 N ILE A 47 8.361 -2.156 5.474 1.00 0.00 N ATOM 695 CA ILE A 47 8.279 -0.763 5.997 1.00 0.00 C ATOM 696 C ILE A 47 9.561 -0.008 5.643 1.00 0.00 C ATOM 697 O ILE A 47 9.519 1.070 5.082 1.00 0.00 O ATOM 698 CB ILE A 47 8.101 -0.797 7.514 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.902 -1.697 7.853 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.855 0.628 8.024 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.662 -1.704 9.366 1.00 0.00 C ATOM 0 H ILE A 47 8.487 -2.876 6.185 1.00 0.00 H new ATOM 0 HA ILE A 47 7.427 -0.255 5.547 1.00 0.00 H new ATOM 0 HB ILE A 47 8.996 -1.195 7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.011 -1.339 7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.088 -2.712 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.727 0.610 9.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.708 1.258 7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.955 1.031 7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.811 -2.344 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.549 -2.083 9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.455 -0.689 9.706 1.00 0.00 H new ATOM 713 N MET A 48 10.699 -0.571 5.963 1.00 0.00 N ATOM 714 CA MET A 48 11.993 0.103 5.648 1.00 0.00 C ATOM 715 C MET A 48 12.128 0.282 4.132 1.00 0.00 C ATOM 716 O MET A 48 12.774 1.201 3.664 1.00 0.00 O ATOM 717 CB MET A 48 13.147 -0.756 6.167 1.00 0.00 C ATOM 718 CG MET A 48 14.448 0.042 6.096 1.00 0.00 C ATOM 719 SD MET A 48 14.690 0.946 7.645 1.00 0.00 S ATOM 720 CE MET A 48 15.702 2.285 6.971 1.00 0.00 C ATOM 0 H MET A 48 10.786 -1.473 6.431 1.00 0.00 H new ATOM 0 HA MET A 48 12.020 1.082 6.127 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.952 -1.063 7.194 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.233 -1.666 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.289 -0.629 5.919 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.414 0.738 5.258 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.971 2.975 7.770 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.608 1.870 6.530 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.137 2.818 6.206 1.00 0.00 H new ATOM 730 N GLY A 49 11.523 -0.590 3.364 1.00 0.00 N ATOM 731 CA GLY A 49 11.612 -0.478 1.878 1.00 0.00 C ATOM 732 C GLY A 49 10.762 0.700 1.398 1.00 0.00 C ATOM 733 O GLY A 49 11.155 1.439 0.514 1.00 0.00 O ATOM 0 H GLY A 49 10.970 -1.376 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.650 -0.337 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.267 -1.401 1.413 1.00 0.00 H new ATOM 737 N VAL A 50 9.601 0.878 1.973 1.00 0.00 N ATOM 738 CA VAL A 50 8.714 2.005 1.557 1.00 0.00 C ATOM 739 C VAL A 50 9.390 3.340 1.887 1.00 0.00 C ATOM 740 O VAL A 50 9.152 4.341 1.236 1.00 0.00 O ATOM 741 CB VAL A 50 7.378 1.901 2.299 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.422 2.985 1.792 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.757 0.518 2.057 1.00 0.00 C ATOM 0 H VAL A 50 9.227 0.288 2.717 1.00 0.00 H new ATOM 0 HA VAL A 50 8.535 1.952 0.483 1.00 0.00 H new ATOM 0 HB VAL A 50 7.550 2.038 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.472 2.909 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.859 3.968 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.254 2.851 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.807 0.448 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.589 0.376 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.434 -0.254 2.423 1.00 0.00 H new ATOM 753 N VAL A 51 10.230 3.363 2.894 1.00 0.00 N ATOM 754 CA VAL A 51 10.926 4.632 3.269 1.00 0.00 C ATOM 755 C VAL A 51 12.018 4.937 2.240 1.00 0.00 C ATOM 756 O VAL A 51 12.331 6.083 1.979 1.00 0.00 O ATOM 757 CB VAL A 51 11.557 4.478 4.655 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.179 5.807 5.090 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.483 4.069 5.664 1.00 0.00 C ATOM 0 H VAL A 51 10.463 2.556 3.472 1.00 0.00 H new ATOM 0 HA VAL A 51 10.206 5.450 3.288 1.00 0.00 H new ATOM 0 HB VAL A 51 12.331 3.711 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.627 5.693 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.947 6.101 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.406 6.575 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.933 3.960 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.709 4.835 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.041 3.120 5.360 1.00 0.00 H new ATOM 769 N SER A 52 12.602 3.919 1.663 1.00 0.00 N ATOM 770 CA SER A 52 13.681 4.138 0.655 1.00 0.00 C ATOM 771 C SER A 52 13.109 4.858 -0.569 1.00 0.00 C ATOM 772 O SER A 52 13.817 5.559 -1.269 1.00 0.00 O ATOM 773 CB SER A 52 14.262 2.788 0.231 1.00 0.00 C ATOM 774 OG SER A 52 13.339 2.126 -0.625 1.00 0.00 O ATOM 0 H SER A 52 12.377 2.941 1.848 1.00 0.00 H new ATOM 0 HA SER A 52 14.467 4.751 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.212 2.934 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.465 2.175 1.109 1.00 0.00 H new ATOM 0 HG SER A 52 12.696 1.621 -0.085 1.00 0.00 H new ATOM 780 N LEU A 53 11.838 4.689 -0.836 1.00 0.00 N ATOM 781 CA LEU A 53 11.221 5.361 -2.018 1.00 0.00 C ATOM 782 C LEU A 53 11.026 6.849 -1.717 1.00 0.00 C ATOM 783 O LEU A 53 11.356 7.700 -2.522 1.00 0.00 O ATOM 784 CB LEU A 53 9.864 4.721 -2.324 1.00 0.00 C ATOM 785 CG LEU A 53 10.070 3.280 -2.812 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.744 2.301 -1.682 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.148 3.002 -4.004 1.00 0.00 C ATOM 0 H LEU A 53 11.201 4.114 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 53 11.878 5.247 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.239 4.727 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.340 5.301 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 53 11.109 3.151 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.891 1.279 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.401 2.492 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.707 2.433 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.297 1.978 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.110 3.135 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.381 3.694 -4.813 1.00 0.00 H new ATOM 799 N GLY A 54 10.492 7.167 -0.566 1.00 0.00 N ATOM 800 CA GLY A 54 10.271 8.598 -0.205 1.00 0.00 C ATOM 801 C GLY A 54 9.082 9.147 -0.996 1.00 0.00 C ATOM 802 O GLY A 54 9.224 10.054 -1.796 1.00 0.00 O ATOM 0 H GLY A 54 10.199 6.494 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.083 8.689 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.166 9.181 -0.422 1.00 0.00 H new ATOM 806 N ILE A 55 7.913 8.602 -0.777 1.00 0.00 N ATOM 807 CA ILE A 55 6.706 9.083 -1.510 1.00 0.00 C ATOM 808 C ILE A 55 6.275 10.435 -0.941 1.00 0.00 C ATOM 809 O ILE A 55 6.675 10.815 0.144 1.00 0.00 O ATOM 810 CB ILE A 55 5.573 8.066 -1.346 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.050 6.688 -1.819 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.368 8.498 -2.185 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.328 5.597 -1.028 1.00 0.00 C ATOM 0 H ILE A 55 7.743 7.841 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 55 6.938 9.195 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 55 5.286 8.014 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.853 6.570 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.128 6.598 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.563 7.772 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.025 9.478 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.656 8.552 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.668 4.618 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.547 5.712 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.253 5.683 -1.188 1.00 0.00 H new ATOM 825 N ALA A 56 5.468 11.167 -1.668 1.00 0.00 N ATOM 826 CA ALA A 56 5.015 12.500 -1.176 1.00 0.00 C ATOM 827 C ALA A 56 3.572 12.754 -1.623 1.00 0.00 C ATOM 828 O ALA A 56 2.870 11.847 -2.030 1.00 0.00 O ATOM 829 CB ALA A 56 5.933 13.584 -1.746 1.00 0.00 C ATOM 0 H ALA A 56 5.104 10.897 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 56 5.057 12.522 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.607 14.561 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.957 13.402 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.890 13.562 -2.835 1.00 0.00 H new ATOM 835 N LYS A 57 3.128 13.983 -1.547 1.00 0.00 N ATOM 836 CA LYS A 57 1.732 14.311 -1.960 1.00 0.00 C ATOM 837 C LYS A 57 1.617 14.257 -3.484 1.00 0.00 C ATOM 838 O LYS A 57 2.458 14.768 -4.198 1.00 0.00 O ATOM 839 CB LYS A 57 1.376 15.719 -1.481 1.00 0.00 C ATOM 840 CG LYS A 57 1.300 15.738 0.045 1.00 0.00 C ATOM 841 CD LYS A 57 1.787 17.095 0.562 1.00 0.00 C ATOM 842 CE LYS A 57 3.292 17.223 0.321 1.00 0.00 C ATOM 843 NZ LYS A 57 3.831 18.353 1.130 1.00 0.00 N ATOM 0 H LYS A 57 3.676 14.776 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 57 1.049 13.586 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.125 16.432 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.421 16.028 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.276 15.559 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.912 14.937 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.257 17.901 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.569 17.190 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.795 16.295 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.488 17.394 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.854 18.440 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.359 19.236 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.656 18.172 2.139 1.00 0.00 H new ATOM 857 N GLY A 58 0.573 13.645 -3.983 1.00 0.00 N ATOM 858 CA GLY A 58 0.386 13.557 -5.461 1.00 0.00 C ATOM 859 C GLY A 58 1.225 12.409 -6.019 1.00 0.00 C ATOM 860 O GLY A 58 1.895 12.551 -7.025 1.00 0.00 O ATOM 0 H GLY A 58 -0.159 13.202 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.667 13.398 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.679 14.496 -5.931 1.00 0.00 H new ATOM 864 N ALA A 59 1.192 11.272 -5.372 1.00 0.00 N ATOM 865 CA ALA A 59 1.983 10.106 -5.859 1.00 0.00 C ATOM 866 C ALA A 59 1.033 9.039 -6.402 1.00 0.00 C ATOM 867 O ALA A 59 -0.149 9.043 -6.111 1.00 0.00 O ATOM 868 CB ALA A 59 2.795 9.522 -4.701 1.00 0.00 C ATOM 0 H ALA A 59 0.649 11.102 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 59 2.659 10.430 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.374 8.669 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.471 10.283 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.119 9.198 -3.910 1.00 0.00 H new ATOM 874 N GLU A 60 1.541 8.128 -7.190 1.00 0.00 N ATOM 875 CA GLU A 60 0.677 7.052 -7.757 1.00 0.00 C ATOM 876 C GLU A 60 1.271 5.692 -7.391 1.00 0.00 C ATOM 877 O GLU A 60 2.383 5.371 -7.765 1.00 0.00 O ATOM 878 CB GLU A 60 0.618 7.191 -9.282 1.00 0.00 C ATOM 879 CG GLU A 60 0.221 8.624 -9.656 1.00 0.00 C ATOM 880 CD GLU A 60 1.474 9.433 -9.997 1.00 0.00 C ATOM 881 OE1 GLU A 60 2.508 9.169 -9.405 1.00 0.00 O ATOM 882 OE2 GLU A 60 1.379 10.305 -10.847 1.00 0.00 O ATOM 0 H GLU A 60 2.522 8.083 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.331 7.136 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.587 6.947 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.103 6.485 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.459 8.613 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.312 9.092 -8.828 1.00 0.00 H new ATOM 889 N ILE A 61 0.539 4.893 -6.658 1.00 0.00 N ATOM 890 CA ILE A 61 1.057 3.552 -6.258 1.00 0.00 C ATOM 891 C ILE A 61 0.234 2.462 -6.944 1.00 0.00 C ATOM 892 O ILE A 61 -0.924 2.655 -7.262 1.00 0.00 O ATOM 893 CB ILE A 61 0.964 3.392 -4.736 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.446 3.764 -4.254 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.989 4.311 -4.067 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.569 3.515 -2.745 1.00 0.00 C ATOM 0 H ILE A 61 -0.397 5.113 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 61 2.100 3.463 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 61 1.170 2.355 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.650 4.812 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.190 3.174 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.926 4.200 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.991 4.043 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.781 5.346 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.572 3.782 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.385 2.462 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.163 4.125 -2.215 1.00 0.00 H new ATOM 908 N THR A 62 0.829 1.321 -7.182 1.00 0.00 N ATOM 909 CA THR A 62 0.092 0.212 -7.854 1.00 0.00 C ATOM 910 C THR A 62 0.391 -1.107 -7.138 1.00 0.00 C ATOM 911 O THR A 62 1.477 -1.646 -7.241 1.00 0.00 O ATOM 912 CB THR A 62 0.542 0.114 -9.313 1.00 0.00 C ATOM 913 OG1 THR A 62 0.416 1.388 -9.931 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.329 -0.902 -10.053 1.00 0.00 C ATOM 0 H THR A 62 1.797 1.110 -6.938 1.00 0.00 H new ATOM 0 HA THR A 62 -0.979 0.411 -7.816 1.00 0.00 H new ATOM 0 HB THR A 62 1.582 -0.209 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.705 1.328 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.006 -0.970 -11.092 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.232 -1.878 -9.578 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.371 -0.583 -10.017 1.00 0.00 H new ATOM 922 N ILE A 63 -0.567 -1.628 -6.417 1.00 0.00 N ATOM 923 CA ILE A 63 -0.351 -2.912 -5.689 1.00 0.00 C ATOM 924 C ILE A 63 -0.800 -4.077 -6.575 1.00 0.00 C ATOM 925 O ILE A 63 -1.572 -3.905 -7.499 1.00 0.00 O ATOM 926 CB ILE A 63 -1.163 -2.890 -4.386 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.631 -1.767 -3.493 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.029 -4.230 -3.651 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.507 -1.636 -2.247 1.00 0.00 C ATOM 0 H ILE A 63 -1.493 -1.217 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 63 0.705 -3.037 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.214 -2.722 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.399 -1.977 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.622 -0.826 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.610 -4.199 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.401 -5.033 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.019 -4.411 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.123 -0.835 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.530 -1.405 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.493 -2.574 -1.692 1.00 0.00 H new ATOM 941 N SER A 64 -0.316 -5.260 -6.294 1.00 0.00 N ATOM 942 CA SER A 64 -0.704 -6.445 -7.111 1.00 0.00 C ATOM 943 C SER A 64 -0.791 -7.682 -6.215 1.00 0.00 C ATOM 944 O SER A 64 0.213 -8.269 -5.854 1.00 0.00 O ATOM 945 CB SER A 64 0.339 -6.676 -8.204 1.00 0.00 C ATOM 946 OG SER A 64 1.640 -6.508 -7.657 1.00 0.00 O ATOM 0 H SER A 64 0.333 -5.455 -5.531 1.00 0.00 H new ATOM 0 HA SER A 64 -1.676 -6.264 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.233 -7.679 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.184 -5.975 -9.024 1.00 0.00 H new ATOM 0 HG SER A 64 1.719 -7.034 -6.834 1.00 0.00 H new ATOM 952 N ALA A 65 -1.985 -8.084 -5.864 1.00 0.00 N ATOM 953 CA ALA A 65 -2.155 -9.289 -4.999 1.00 0.00 C ATOM 954 C ALA A 65 -2.273 -10.527 -5.894 1.00 0.00 C ATOM 955 O ALA A 65 -3.152 -10.608 -6.732 1.00 0.00 O ATOM 956 CB ALA A 65 -3.431 -9.142 -4.166 1.00 0.00 C ATOM 0 H ALA A 65 -2.854 -7.627 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.298 -9.391 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.556 -10.021 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.356 -8.253 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.290 -9.047 -4.830 1.00 0.00 H new ATOM 962 N SER A 66 -1.396 -11.488 -5.730 1.00 0.00 N ATOM 963 CA SER A 66 -1.461 -12.715 -6.581 1.00 0.00 C ATOM 964 C SER A 66 -1.264 -13.960 -5.712 1.00 0.00 C ATOM 965 O SER A 66 -0.166 -14.261 -5.288 1.00 0.00 O ATOM 966 CB SER A 66 -0.369 -12.663 -7.648 1.00 0.00 C ATOM 967 OG SER A 66 -0.017 -11.309 -7.903 1.00 0.00 O ATOM 0 H SER A 66 -0.640 -11.475 -5.045 1.00 0.00 H new ATOM 0 HA SER A 66 -2.437 -12.761 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.506 -13.221 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.719 -13.137 -8.565 1.00 0.00 H new ATOM 0 HG SER A 66 0.685 -11.277 -8.586 1.00 0.00 H new ATOM 973 N GLY A 67 -2.323 -14.686 -5.451 1.00 0.00 N ATOM 974 CA GLY A 67 -2.207 -15.915 -4.612 1.00 0.00 C ATOM 975 C GLY A 67 -3.594 -16.531 -4.414 1.00 0.00 C ATOM 976 O GLY A 67 -4.405 -16.556 -5.320 1.00 0.00 O ATOM 0 H GLY A 67 -3.264 -14.478 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.543 -16.634 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.766 -15.669 -3.646 1.00 0.00 H new ATOM 980 N ALA A 68 -3.870 -17.025 -3.232 1.00 0.00 N ATOM 981 CA ALA A 68 -5.202 -17.641 -2.966 1.00 0.00 C ATOM 982 C ALA A 68 -6.191 -16.553 -2.537 1.00 0.00 C ATOM 983 O ALA A 68 -7.258 -16.414 -3.106 1.00 0.00 O ATOM 984 CB ALA A 68 -5.070 -18.680 -1.849 1.00 0.00 C ATOM 0 H ALA A 68 -3.227 -17.027 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.566 -18.126 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.043 -19.130 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.366 -19.454 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.706 -18.196 -0.943 1.00 0.00 H new ATOM 990 N ASP A 69 -5.839 -15.781 -1.541 1.00 0.00 N ATOM 991 CA ASP A 69 -6.749 -14.694 -1.068 1.00 0.00 C ATOM 992 C ASP A 69 -6.267 -13.350 -1.621 1.00 0.00 C ATOM 993 O ASP A 69 -6.191 -12.363 -0.913 1.00 0.00 O ATOM 994 CB ASP A 69 -6.746 -14.652 0.464 1.00 0.00 C ATOM 995 CG ASP A 69 -5.306 -14.578 0.974 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.618 -13.637 0.615 1.00 0.00 O ATOM 997 OD2 ASP A 69 -4.915 -15.464 1.717 1.00 0.00 O ATOM 0 H ASP A 69 -4.958 -15.857 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.762 -14.889 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.311 -13.789 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.238 -15.539 0.863 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.940 -13.311 -2.887 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.455 -12.042 -3.508 1.00 0.00 C ATOM 1004 C GLU A 70 -6.582 -11.004 -3.524 1.00 0.00 C ATOM 1005 O GLU A 70 -6.341 -9.818 -3.396 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.986 -12.310 -4.944 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.050 -13.108 -5.708 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.766 -13.035 -7.209 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.601 -13.061 -7.574 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.717 -12.957 -7.969 1.00 0.00 O ATOM 0 H GLU A 70 -5.988 -14.109 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.620 -11.658 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.793 -11.366 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.047 -12.863 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.047 -14.147 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.041 -12.708 -5.495 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.807 -11.439 -3.684 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.949 -10.478 -3.714 1.00 0.00 C ATOM 1019 C ASN A 71 -9.251 -9.986 -2.297 1.00 0.00 C ATOM 1020 O ASN A 71 -9.622 -8.845 -2.092 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.185 -11.174 -4.289 1.00 0.00 C ATOM 1022 CG ASN A 71 -10.160 -11.076 -5.815 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.483 -11.840 -6.474 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.876 -10.160 -6.410 1.00 0.00 N ATOM 0 H ASN A 71 -8.064 -12.420 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.686 -9.625 -4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.203 -12.219 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.091 -10.711 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.867 -10.086 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.445 -9.518 -5.857 1.00 0.00 H new ATOM 1031 N ASP A 72 -9.096 -10.840 -1.318 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.375 -10.430 0.091 1.00 0.00 C ATOM 1033 C ASP A 72 -8.232 -9.553 0.621 1.00 0.00 C ATOM 1034 O ASP A 72 -8.405 -8.815 1.575 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.506 -11.677 0.967 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.752 -12.463 0.553 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.831 -12.099 0.991 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.607 -13.414 -0.196 1.00 0.00 O ATOM 0 H ASP A 72 -8.788 -11.805 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.304 -9.861 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.618 -12.301 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.575 -11.391 2.017 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.071 -9.626 0.020 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.926 -8.797 0.501 1.00 0.00 C ATOM 1045 C ALA A 73 -6.028 -7.371 -0.050 1.00 0.00 C ATOM 1046 O ALA A 73 -5.788 -6.412 0.658 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.613 -9.424 0.035 1.00 0.00 C ATOM 0 H ALA A 73 -6.868 -10.223 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.955 -8.759 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.777 -8.819 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.527 -10.432 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.597 -9.468 -1.054 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.360 -7.222 -1.312 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.447 -5.852 -1.907 1.00 0.00 C ATOM 1055 C LEU A 74 -7.576 -5.046 -1.250 1.00 0.00 C ATOM 1056 O LEU A 74 -7.417 -3.871 -0.976 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.673 -5.950 -3.426 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.032 -6.587 -3.742 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.120 -5.502 -3.787 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.954 -7.285 -5.103 1.00 0.00 C ATOM 0 H LEU A 74 -6.573 -7.987 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.506 -5.333 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.622 -4.956 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.877 -6.541 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.282 -7.312 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.083 -5.961 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.174 -5.001 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.876 -4.774 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.917 -7.740 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.704 -6.555 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.186 -8.057 -5.072 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.711 -5.655 -1.007 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.838 -4.900 -0.378 1.00 0.00 C ATOM 1074 C ASN A 75 -9.551 -4.688 1.112 1.00 0.00 C ATOM 1075 O ASN A 75 -10.036 -3.747 1.711 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.166 -5.652 -0.571 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.140 -6.994 0.167 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.120 -7.638 0.237 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.233 -7.440 0.722 1.00 0.00 N ATOM 0 H ASN A 75 -8.905 -6.635 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.926 -3.928 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.991 -5.044 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.344 -5.819 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.227 -8.333 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.094 -6.896 0.663 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.764 -5.548 1.713 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.442 -5.382 3.159 1.00 0.00 C ATOM 1088 C ALA A 76 -7.627 -4.099 3.349 1.00 0.00 C ATOM 1089 O ALA A 76 -8.037 -3.191 4.049 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.635 -6.589 3.647 1.00 0.00 C ATOM 0 H ALA A 76 -8.333 -6.355 1.263 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.364 -5.314 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.400 -6.466 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.220 -7.498 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.709 -6.663 3.076 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.476 -4.020 2.729 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.626 -2.800 2.869 1.00 0.00 C ATOM 1098 C LEU A 77 -6.359 -1.589 2.288 1.00 0.00 C ATOM 1099 O LEU A 77 -6.142 -0.470 2.706 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.309 -3.002 2.119 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.653 -4.321 2.564 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.416 -5.212 1.343 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.312 -4.029 3.248 1.00 0.00 C ATOM 0 H LEU A 77 -6.088 -4.750 2.131 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.421 -2.627 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.491 -3.020 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.637 -2.167 2.315 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.313 -4.830 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.951 -6.146 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.369 -5.426 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.759 -4.699 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.852 -4.966 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.651 -3.516 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.479 -3.397 4.120 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.218 -1.804 1.322 1.00 0.00 N ATOM 1116 CA GLU A 78 -7.962 -0.663 0.704 1.00 0.00 C ATOM 1117 C GLU A 78 -8.801 0.056 1.771 1.00 0.00 C ATOM 1118 O GLU A 78 -8.690 1.254 1.951 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.880 -1.201 -0.405 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.654 -0.047 -1.060 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.649 -0.219 -2.583 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -9.892 -1.326 -3.035 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -9.403 0.759 -3.268 1.00 0.00 O ATOM 0 H GLU A 78 -7.436 -2.722 0.934 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.251 0.046 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.287 -1.723 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.579 -1.927 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.679 -0.028 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.200 0.907 -0.791 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.645 -0.664 2.470 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.498 -0.025 3.516 1.00 0.00 C ATOM 1132 C GLU A 79 -9.615 0.624 4.587 1.00 0.00 C ATOM 1133 O GLU A 79 -9.995 1.603 5.202 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.398 -1.084 4.157 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.545 -2.246 4.672 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.360 -3.073 5.667 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.370 -3.625 5.262 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.961 -3.142 6.818 1.00 0.00 O ATOM 0 H GLU A 79 -9.779 -1.669 2.359 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.117 0.745 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.964 -0.645 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.123 -1.448 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.223 -2.872 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.643 -1.865 5.152 1.00 0.00 H new ATOM 1145 N THR A 80 -8.439 0.092 4.806 1.00 0.00 N ATOM 1146 CA THR A 80 -7.526 0.681 5.830 1.00 0.00 C ATOM 1147 C THR A 80 -7.038 2.043 5.333 1.00 0.00 C ATOM 1148 O THR A 80 -6.829 2.960 6.104 1.00 0.00 O ATOM 1149 CB THR A 80 -6.328 -0.247 6.044 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.794 -1.551 6.363 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.463 0.281 7.190 1.00 0.00 C ATOM 0 H THR A 80 -8.072 -0.726 4.319 1.00 0.00 H new ATOM 0 HA THR A 80 -8.057 0.801 6.774 1.00 0.00 H new ATOM 0 HB THR A 80 -5.732 -0.284 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.136 -1.983 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.611 -0.383 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.105 1.281 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.055 0.322 8.104 1.00 0.00 H new ATOM 1159 N MET A 81 -6.856 2.171 4.046 1.00 0.00 N ATOM 1160 CA MET A 81 -6.382 3.461 3.467 1.00 0.00 C ATOM 1161 C MET A 81 -7.500 4.504 3.552 1.00 0.00 C ATOM 1162 O MET A 81 -7.247 5.685 3.697 1.00 0.00 O ATOM 1163 CB MET A 81 -6.005 3.240 2.001 1.00 0.00 C ATOM 1164 CG MET A 81 -4.651 2.531 1.923 1.00 0.00 C ATOM 1165 SD MET A 81 -3.327 3.722 2.240 1.00 0.00 S ATOM 1166 CE MET A 81 -2.798 3.050 3.835 1.00 0.00 C ATOM 0 H MET A 81 -7.017 1.429 3.365 1.00 0.00 H new ATOM 0 HA MET A 81 -5.515 3.816 4.024 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.769 2.643 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.958 4.196 1.479 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.609 1.722 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.521 2.080 0.939 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.831 3.474 4.106 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.533 3.305 4.599 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.711 1.966 3.762 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.732 4.075 3.455 1.00 0.00 N ATOM 1177 CA LYS A 82 -9.874 5.033 3.523 1.00 0.00 C ATOM 1178 C LYS A 82 -10.092 5.477 4.971 1.00 0.00 C ATOM 1179 O LYS A 82 -10.566 6.569 5.227 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.140 4.351 2.998 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.245 4.556 1.483 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.774 3.278 0.826 1.00 0.00 C ATOM 1183 CE LYS A 82 -11.845 3.474 -0.690 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.221 3.906 -1.071 1.00 0.00 N ATOM 0 H LYS A 82 -8.996 3.098 3.331 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.650 5.907 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.114 3.286 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.019 4.764 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.910 5.391 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.268 4.810 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.122 2.437 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.762 3.037 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.117 4.222 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.589 2.545 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.270 4.039 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.906 3.178 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.448 4.802 -0.595 1.00 0.00 H new ATOM 1198 N SER A 83 -9.753 4.641 5.919 1.00 0.00 N ATOM 1199 CA SER A 83 -9.940 5.009 7.352 1.00 0.00 C ATOM 1200 C SER A 83 -9.010 6.170 7.712 1.00 0.00 C ATOM 1201 O SER A 83 -9.431 7.157 8.285 1.00 0.00 O ATOM 1202 CB SER A 83 -9.613 3.804 8.234 1.00 0.00 C ATOM 1203 OG SER A 83 -8.214 3.554 8.186 1.00 0.00 O ATOM 0 H SER A 83 -9.353 3.716 5.760 1.00 0.00 H new ATOM 0 HA SER A 83 -10.975 5.311 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.925 3.995 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.163 2.928 7.891 1.00 0.00 H new ATOM 0 HG SER A 83 -7.990 3.108 7.342 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.748 6.055 7.381 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.782 7.148 7.702 1.00 0.00 C ATOM 1211 C GLU A 84 -6.783 8.209 6.591 1.00 0.00 C ATOM 1212 O GLU A 84 -6.214 9.273 6.751 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.378 6.556 7.841 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.398 5.433 8.882 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.666 6.025 10.267 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.758 6.626 10.819 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -6.773 5.866 10.753 1.00 0.00 O ATOM 0 H GLU A 84 -7.345 5.250 6.902 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.080 7.621 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.038 6.170 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.673 7.331 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.169 4.704 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.445 4.903 8.879 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.411 7.936 5.469 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.438 8.938 4.361 1.00 0.00 C ATOM 1226 C GLY A 85 -6.022 9.127 3.817 1.00 0.00 C ATOM 1227 O GLY A 85 -5.615 10.227 3.490 1.00 0.00 O ATOM 0 H GLY A 85 -7.904 7.064 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.103 8.601 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.831 9.888 4.724 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.269 8.062 3.722 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.876 8.165 3.204 1.00 0.00 C ATOM 1233 C LEU A 86 -3.896 8.183 1.674 1.00 0.00 C ATOM 1234 O LEU A 86 -3.484 9.144 1.051 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.063 6.967 3.691 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.778 7.124 5.185 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.315 5.788 5.756 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.680 8.171 5.387 1.00 0.00 C ATOM 0 H LEU A 86 -5.563 7.121 3.983 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.421 9.086 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.611 6.043 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.128 6.898 3.136 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.685 7.444 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.111 5.898 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.095 5.041 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.407 5.469 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.476 8.284 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.772 7.850 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.008 9.126 4.977 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.372 7.126 1.065 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.422 7.072 -0.427 1.00 0.00 C ATOM 1252 C GLY A 87 -5.662 6.292 -0.869 1.00 0.00 C ATOM 1253 O GLY A 87 -5.830 5.136 -0.530 1.00 0.00 O ATOM 0 H GLY A 87 -4.729 6.296 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.449 8.082 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.522 6.595 -0.814 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.529 6.917 -1.625 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.761 6.218 -2.094 1.00 0.00 C ATOM 1259 C GLU A 88 -7.739 6.118 -3.621 1.00 0.00 C ATOM 1260 O GLU A 88 -7.157 6.989 -4.243 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.997 7.005 -1.651 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.879 8.454 -2.125 1.00 0.00 C ATOM 1263 CD GLU A 88 -10.275 9.030 -2.367 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -11.165 8.716 -1.594 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -10.431 9.774 -3.321 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.303 5.169 -4.141 1.00 0.00 O ATOM 0 H GLU A 88 -6.435 7.883 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.797 5.217 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.898 6.549 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.091 6.973 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.353 9.050 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.291 8.501 -3.042 1.00 0.00 H new TER 1273 GLU A 88