USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 20 GLN : amide:sc= 2.01 K(o=2.3,f=-4.9!) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.375 K(o=2.3,f=-4.9) USER MOD Set 1.3: A 80 CYS SG : rot 163:sc= 0.673 USER MOD Set 2.1: A 8 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.7!) USER MOD Set 2.2: A 16 ASN : amide:sc= 0 K(o=1.1,f=0.36) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0901 F(o=-1.7!,f=-0.09) USER MOD Single : A 10 ASN : amide:sc= -0.079 K(o=-0.079,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -1.12! C(o=-1.1!,f=-3.1!) USER MOD Single : A 18 THR OG1 : rot -136:sc= -2.37! USER MOD Single : A 23 MET CE :methyl 156:sc= -1.14 (180deg=-2.52!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0852 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= 1.27 (180deg=0.62) USER MOD Single : A 42 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.32) USER MOD Single : A 44 GLN : amide:sc= 0.211 K(o=0.21,f=-0.75) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.0535 (180deg=-0.364) USER MOD Single : A 51 MET CE :methyl -135:sc= -5.53! (180deg=-6.03!) USER MOD Single : A 55 GLN : amide:sc= 0.84 K(o=0.84,f=-2.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.173 F(o=-1.4!,f=-0.17) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00784 USER MOD Single : A 62 ASN : amide:sc= -0.0867 K(o=-0.087,f=-4.3!) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.764 (180deg=-1.06) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0.98 (180deg=0.98) USER MOD Single : A 78 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.5!) USER MOD Single : A 82 MET CE :methyl -116:sc= -1.51 (180deg=-5.71!) USER MOD Single : A 84 MET CE :methyl 156:sc= -0.14 (180deg=-0.787) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -3.366 -18.967 2.676 1.00 0.00 N ATOM 2 CA GLY A 5 -2.991 -17.572 2.761 1.00 0.00 C ATOM 3 C GLY A 5 -1.683 -17.276 2.062 1.00 0.00 C ATOM 4 O GLY A 5 -0.629 -17.784 2.450 1.00 0.00 O ATOM 0 HA2 GLY A 5 -3.779 -16.961 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.911 -17.285 3.809 1.00 0.00 H new ATOM 8 N GLN A 6 -1.754 -16.467 1.020 1.00 0.00 N ATOM 9 CA GLN A 6 -0.564 -16.015 0.323 1.00 0.00 C ATOM 10 C GLN A 6 -0.370 -14.524 0.563 1.00 0.00 C ATOM 11 O GLN A 6 -0.800 -13.679 -0.222 1.00 0.00 O ATOM 12 CB GLN A 6 -0.649 -16.347 -1.172 1.00 0.00 C ATOM 13 CG GLN A 6 -1.971 -15.977 -1.824 1.00 0.00 C ATOM 14 CD GLN A 6 -2.082 -16.502 -3.242 1.00 0.00 C ATOM 15 OE1 GLN A 6 -1.433 -17.625 -3.510 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 -2.748 -15.907 -4.091 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.628 -16.108 0.637 1.00 0.00 H new ATOM 0 HA GLN A 6 0.307 -16.540 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.156 -15.829 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.479 -17.415 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.792 -16.375 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.079 -14.892 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.234 -15.044 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.814 -16.277 -5.039 1.00 0.00 H new ATOM 25 N PHE A 7 0.269 -14.218 1.682 1.00 0.00 N ATOM 26 CA PHE A 7 0.440 -12.844 2.121 1.00 0.00 C ATOM 27 C PHE A 7 1.591 -12.179 1.370 1.00 0.00 C ATOM 28 O PHE A 7 2.146 -12.745 0.430 1.00 0.00 O ATOM 29 CB PHE A 7 0.723 -12.809 3.627 1.00 0.00 C ATOM 30 CG PHE A 7 -0.243 -13.618 4.450 1.00 0.00 C ATOM 31 CD1 PHE A 7 -1.494 -13.116 4.773 1.00 0.00 C ATOM 32 CD2 PHE A 7 0.102 -14.883 4.898 1.00 0.00 C ATOM 33 CE1 PHE A 7 -2.382 -13.862 5.528 1.00 0.00 C ATOM 34 CE2 PHE A 7 -0.781 -15.633 5.651 1.00 0.00 C ATOM 35 CZ PHE A 7 -2.025 -15.122 5.966 1.00 0.00 C ATOM 0 H PHE A 7 0.681 -14.911 2.307 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.479 -12.298 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.733 -13.177 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.696 -11.774 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.779 -12.132 4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.073 -15.288 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.353 -13.459 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -0.499 -16.618 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.717 -15.707 6.554 1.00 0.00 H new ATOM 45 N HIS A 8 1.952 -10.977 1.785 1.00 0.00 N ATOM 46 CA HIS A 8 3.112 -10.307 1.220 1.00 0.00 C ATOM 47 C HIS A 8 3.592 -9.217 2.167 1.00 0.00 C ATOM 48 O HIS A 8 4.127 -8.198 1.742 1.00 0.00 O ATOM 49 CB HIS A 8 2.788 -9.723 -0.163 1.00 0.00 C ATOM 50 CG HIS A 8 3.993 -9.551 -1.043 1.00 0.00 C ATOM 51 ND1 HIS A 8 4.413 -10.521 -1.921 1.00 0.00 N ATOM 52 CD2 HIS A 8 4.866 -8.521 -1.181 1.00 0.00 C ATOM 53 CE1 HIS A 8 5.489 -10.104 -2.558 1.00 0.00 C ATOM 54 NE2 HIS A 8 5.788 -8.890 -2.132 1.00 0.00 N ATOM 0 H HIS A 8 1.463 -10.447 2.506 1.00 0.00 H new ATOM 0 HA HIS A 8 3.910 -11.039 1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.073 -10.375 -0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.302 -8.756 -0.034 1.00 0.00 H new ATOM 0 HD1 HIS A 8 3.961 -11.425 -2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.841 -7.585 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.035 -10.662 -3.304 1.00 0.00 H new ATOM 63 N ASP A 9 3.397 -9.447 3.459 1.00 0.00 N ATOM 64 CA ASP A 9 3.846 -8.507 4.480 1.00 0.00 C ATOM 65 C ASP A 9 5.367 -8.519 4.571 1.00 0.00 C ATOM 66 O ASP A 9 6.005 -7.475 4.694 1.00 0.00 O ATOM 67 CB ASP A 9 3.226 -8.849 5.839 1.00 0.00 C ATOM 68 CG ASP A 9 3.468 -10.288 6.248 1.00 0.00 C ATOM 69 OD1 ASP A 9 2.732 -11.173 5.758 1.00 0.00 O ATOM 70 OD2 ASP A 9 4.387 -10.544 7.047 1.00 0.00 O ATOM 0 H ASP A 9 2.931 -10.277 3.826 1.00 0.00 H new ATOM 0 HA ASP A 9 3.519 -7.506 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.639 -8.186 6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.153 -8.662 5.801 1.00 0.00 H new ATOM 75 N ASN A 10 5.934 -9.713 4.497 1.00 0.00 N ATOM 76 CA ASN A 10 7.377 -9.879 4.456 1.00 0.00 C ATOM 77 C ASN A 10 7.732 -10.842 3.329 1.00 0.00 C ATOM 78 O ASN A 10 8.408 -11.850 3.541 1.00 0.00 O ATOM 79 CB ASN A 10 7.897 -10.401 5.800 1.00 0.00 C ATOM 80 CG ASN A 10 9.413 -10.363 5.901 1.00 0.00 C ATOM 81 OD1 ASN A 10 10.071 -9.519 5.289 1.00 0.00 O ATOM 82 ND2 ASN A 10 9.979 -11.277 6.673 1.00 0.00 N ATOM 0 H ASN A 10 5.411 -10.588 4.464 1.00 0.00 H new ATOM 0 HA ASN A 10 7.850 -8.915 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.469 -9.805 6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.554 -11.425 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.993 -11.299 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.401 -11.959 7.164 1.00 0.00 H new ATOM 89 N ALA A 11 7.227 -10.524 2.135 1.00 0.00 N ATOM 90 CA ALA A 11 7.443 -11.337 0.937 1.00 0.00 C ATOM 91 C ALA A 11 7.093 -12.803 1.181 1.00 0.00 C ATOM 92 O ALA A 11 7.973 -13.658 1.239 1.00 0.00 O ATOM 93 CB ALA A 11 8.883 -11.201 0.456 1.00 0.00 C ATOM 0 H ALA A 11 6.656 -9.695 1.972 1.00 0.00 H new ATOM 0 HA ALA A 11 6.776 -10.966 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.028 -11.811 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.090 -10.157 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.562 -11.537 1.240 1.00 0.00 H new ATOM 99 N ASN A 12 5.803 -13.091 1.302 1.00 0.00 N ATOM 100 CA ASN A 12 5.358 -14.444 1.621 1.00 0.00 C ATOM 101 C ASN A 12 5.378 -15.311 0.370 1.00 0.00 C ATOM 102 O ASN A 12 4.476 -15.233 -0.469 1.00 0.00 O ATOM 103 CB ASN A 12 3.952 -14.404 2.218 1.00 0.00 C ATOM 104 CG ASN A 12 3.504 -15.741 2.775 1.00 0.00 C ATOM 105 OD1 ASN A 12 2.952 -16.577 2.059 1.00 0.00 O ATOM 106 ND2 ASN A 12 3.711 -15.939 4.068 1.00 0.00 N ATOM 0 H ASN A 12 5.051 -12.412 1.185 1.00 0.00 H new ATOM 0 HA ASN A 12 6.038 -14.877 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.922 -13.658 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.247 -14.082 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.409 -16.810 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.172 -15.221 4.627 1.00 0.00 H new ATOM 113 N GLY A 13 6.426 -16.113 0.232 1.00 0.00 N ATOM 114 CA GLY A 13 6.587 -16.948 -0.946 1.00 0.00 C ATOM 115 C GLY A 13 7.106 -16.164 -2.136 1.00 0.00 C ATOM 116 O GLY A 13 8.082 -16.559 -2.779 1.00 0.00 O ATOM 0 H GLY A 13 7.174 -16.201 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.276 -17.762 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.629 -17.402 -1.201 1.00 0.00 H new ATOM 120 N GLY A 14 6.450 -15.048 -2.424 1.00 0.00 N ATOM 121 CA GLY A 14 6.849 -14.202 -3.527 1.00 0.00 C ATOM 122 C GLY A 14 5.652 -13.590 -4.221 1.00 0.00 C ATOM 123 O GLY A 14 5.736 -12.501 -4.782 1.00 0.00 O ATOM 0 H GLY A 14 5.639 -14.712 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.502 -13.410 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.427 -14.786 -4.244 1.00 0.00 H new ATOM 127 N GLN A 15 4.527 -14.290 -4.151 1.00 0.00 N ATOM 128 CA GLN A 15 3.302 -13.856 -4.812 1.00 0.00 C ATOM 129 C GLN A 15 2.758 -12.578 -4.179 1.00 0.00 C ATOM 130 O GLN A 15 2.784 -12.417 -2.955 1.00 0.00 O ATOM 131 CB GLN A 15 2.218 -14.942 -4.737 1.00 0.00 C ATOM 132 CG GLN A 15 2.629 -16.312 -5.263 1.00 0.00 C ATOM 133 CD GLN A 15 3.457 -17.107 -4.272 1.00 0.00 C ATOM 134 OE1 GLN A 15 4.687 -17.057 -4.281 1.00 0.00 O ATOM 135 NE2 GLN A 15 2.786 -17.842 -3.400 1.00 0.00 N ATOM 0 H GLN A 15 4.437 -15.168 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 15 3.554 -13.666 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.906 -15.049 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.347 -14.602 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.734 -16.880 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.199 -16.185 -6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.766 -17.858 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.288 -18.393 -2.704 1.00 0.00 H new ATOM 144 N ASN A 16 2.296 -11.662 -5.017 1.00 0.00 N ATOM 145 CA ASN A 16 1.562 -10.491 -4.550 1.00 0.00 C ATOM 146 C ASN A 16 0.069 -10.727 -4.737 1.00 0.00 C ATOM 147 O ASN A 16 -0.432 -10.749 -5.865 1.00 0.00 O ATOM 148 CB ASN A 16 1.984 -9.226 -5.309 1.00 0.00 C ATOM 149 CG ASN A 16 3.346 -8.715 -4.891 1.00 0.00 C ATOM 150 OD1 ASN A 16 3.462 -7.924 -3.957 1.00 0.00 O ATOM 151 ND2 ASN A 16 4.387 -9.157 -5.580 1.00 0.00 N ATOM 0 H ASN A 16 2.416 -11.706 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 16 1.789 -10.341 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.993 -9.436 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.242 -8.445 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.327 -8.841 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.249 -9.813 -6.348 1.00 0.00 H new ATOM 158 N GLY A 17 -0.632 -10.912 -3.627 1.00 0.00 N ATOM 159 CA GLY A 17 -2.034 -11.266 -3.684 1.00 0.00 C ATOM 160 C GLY A 17 -2.945 -10.084 -3.934 1.00 0.00 C ATOM 161 O GLY A 17 -3.546 -9.973 -5.000 1.00 0.00 O ATOM 0 H GLY A 17 -0.252 -10.823 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.183 -12.003 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.319 -11.742 -2.746 1.00 0.00 H new ATOM 165 N THR A 18 -3.052 -9.194 -2.962 1.00 0.00 N ATOM 166 CA THR A 18 -3.992 -8.092 -3.054 1.00 0.00 C ATOM 167 C THR A 18 -3.285 -6.762 -3.296 1.00 0.00 C ATOM 168 O THR A 18 -2.315 -6.423 -2.619 1.00 0.00 O ATOM 169 CB THR A 18 -4.853 -8.013 -1.780 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.572 -9.240 -1.627 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.837 -6.850 -1.833 1.00 0.00 C ATOM 0 H THR A 18 -2.502 -9.213 -2.104 1.00 0.00 H new ATOM 0 HA THR A 18 -4.638 -8.284 -3.911 1.00 0.00 H new ATOM 0 HB THR A 18 -4.190 -7.849 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.499 -9.047 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.425 -6.829 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.288 -5.914 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.502 -6.975 -2.688 1.00 0.00 H new ATOM 179 N VAL A 19 -3.772 -6.034 -4.287 1.00 0.00 N ATOM 180 CA VAL A 19 -3.277 -4.704 -4.594 1.00 0.00 C ATOM 181 C VAL A 19 -4.452 -3.758 -4.831 1.00 0.00 C ATOM 182 O VAL A 19 -5.292 -4.004 -5.695 1.00 0.00 O ATOM 183 CB VAL A 19 -2.330 -4.722 -5.822 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.954 -5.480 -6.986 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.955 -3.306 -6.245 1.00 0.00 C ATOM 0 H VAL A 19 -4.522 -6.350 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.698 -4.347 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.419 -5.243 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.267 -5.476 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.153 -6.509 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.889 -4.999 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.290 -3.348 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.857 -2.754 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.449 -2.802 -5.422 1.00 0.00 H new ATOM 195 N GLN A 20 -4.533 -2.699 -4.039 1.00 0.00 N ATOM 196 CA GLN A 20 -5.637 -1.758 -4.151 1.00 0.00 C ATOM 197 C GLN A 20 -5.144 -0.429 -4.714 1.00 0.00 C ATOM 198 O GLN A 20 -4.080 0.058 -4.325 1.00 0.00 O ATOM 199 CB GLN A 20 -6.294 -1.547 -2.786 1.00 0.00 C ATOM 200 CG GLN A 20 -7.803 -1.395 -2.863 1.00 0.00 C ATOM 201 CD GLN A 20 -8.434 -1.056 -1.530 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.545 0.111 -1.166 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.882 -2.069 -0.806 1.00 0.00 N ATOM 0 H GLN A 20 -3.851 -2.471 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.379 -2.171 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.053 -2.391 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.870 -0.658 -2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.047 -0.614 -3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.237 -2.322 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.771 -3.025 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.339 -1.894 0.089 1.00 0.00 H new ATOM 212 N GLU A 21 -5.910 0.147 -5.633 1.00 0.00 N ATOM 213 CA GLU A 21 -5.538 1.406 -6.266 1.00 0.00 C ATOM 214 C GLU A 21 -6.419 2.551 -5.785 1.00 0.00 C ATOM 215 O GLU A 21 -7.647 2.466 -5.824 1.00 0.00 O ATOM 216 CB GLU A 21 -5.612 1.284 -7.789 1.00 0.00 C ATOM 217 CG GLU A 21 -4.489 0.446 -8.370 1.00 0.00 C ATOM 218 CD GLU A 21 -4.637 0.189 -9.854 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.576 -0.531 -10.245 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.798 0.690 -10.633 1.00 0.00 O ATOM 0 H GLU A 21 -6.796 -0.240 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.510 1.629 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.569 0.842 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.581 2.280 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.539 0.949 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.449 -0.509 -7.846 1.00 0.00 H new ATOM 227 N ILE A 22 -5.783 3.616 -5.321 1.00 0.00 N ATOM 228 CA ILE A 22 -6.497 4.792 -4.833 1.00 0.00 C ATOM 229 C ILE A 22 -6.193 5.990 -5.724 1.00 0.00 C ATOM 230 O ILE A 22 -5.148 6.032 -6.371 1.00 0.00 O ATOM 231 CB ILE A 22 -6.095 5.142 -3.377 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.035 3.876 -2.514 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.075 6.140 -2.773 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.360 3.150 -2.402 1.00 0.00 C ATOM 0 H ILE A 22 -4.767 3.692 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.562 4.560 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.105 5.597 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.293 3.196 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.693 4.144 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.775 6.372 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.076 7.054 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.076 5.709 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.239 2.266 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.101 3.812 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.695 2.849 -3.395 1.00 0.00 H new ATOM 246 N MET A 23 -7.114 6.945 -5.769 1.00 0.00 N ATOM 247 CA MET A 23 -6.892 8.204 -6.465 1.00 0.00 C ATOM 248 C MET A 23 -6.640 9.300 -5.440 1.00 0.00 C ATOM 249 O MET A 23 -7.564 9.747 -4.759 1.00 0.00 O ATOM 250 CB MET A 23 -8.106 8.561 -7.325 1.00 0.00 C ATOM 251 CG MET A 23 -8.405 7.558 -8.430 1.00 0.00 C ATOM 252 SD MET A 23 -7.599 7.941 -10.008 1.00 0.00 S ATOM 253 CE MET A 23 -5.866 7.703 -9.613 1.00 0.00 C ATOM 0 H MET A 23 -8.030 6.869 -5.327 1.00 0.00 H new ATOM 0 HA MET A 23 -6.026 8.106 -7.119 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.981 8.646 -6.681 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.944 9.541 -7.774 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.089 6.567 -8.103 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.483 7.514 -8.585 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.312 7.483 -10.525 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.469 8.610 -9.157 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.763 6.871 -8.916 1.00 0.00 H new ATOM 263 N ILE A 24 -5.389 9.707 -5.314 1.00 0.00 N ATOM 264 CA ILE A 24 -5.001 10.684 -4.306 1.00 0.00 C ATOM 265 C ILE A 24 -5.135 12.109 -4.843 1.00 0.00 C ATOM 266 O ILE A 24 -4.684 12.399 -5.947 1.00 0.00 O ATOM 267 CB ILE A 24 -3.546 10.443 -3.844 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.348 8.979 -3.435 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.180 11.364 -2.691 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.312 8.509 -2.367 1.00 0.00 C ATOM 0 H ILE A 24 -4.621 9.376 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.672 10.564 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.886 10.666 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.459 8.347 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.328 8.847 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.151 11.173 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.278 12.402 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.848 11.178 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.111 7.464 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.186 9.116 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.335 8.608 -2.731 1.00 0.00 H new ATOM 282 N PRO A 25 -5.785 12.999 -4.066 1.00 0.00 N ATOM 283 CA PRO A 25 -5.949 14.418 -4.417 1.00 0.00 C ATOM 284 C PRO A 25 -4.667 15.058 -4.952 1.00 0.00 C ATOM 285 O PRO A 25 -3.580 14.862 -4.403 1.00 0.00 O ATOM 286 CB PRO A 25 -6.339 15.054 -3.086 1.00 0.00 C ATOM 287 CG PRO A 25 -7.062 13.983 -2.351 1.00 0.00 C ATOM 288 CD PRO A 25 -6.440 12.679 -2.781 1.00 0.00 C ATOM 0 HA PRO A 25 -6.678 14.554 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.460 15.388 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.973 15.928 -3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.970 14.121 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.126 14.002 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.721 12.319 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.192 11.899 -2.900 1.00 0.00 H new ATOM 296 N ALA A 26 -4.821 15.850 -6.011 1.00 0.00 N ATOM 297 CA ALA A 26 -3.690 16.412 -6.745 1.00 0.00 C ATOM 298 C ALA A 26 -2.890 17.414 -5.917 1.00 0.00 C ATOM 299 O ALA A 26 -1.692 17.597 -6.141 1.00 0.00 O ATOM 300 CB ALA A 26 -4.180 17.067 -8.028 1.00 0.00 C ATOM 0 H ALA A 26 -5.731 16.120 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.018 15.587 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.332 17.484 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.678 16.323 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.882 17.864 -7.784 1.00 0.00 H new ATOM 306 N GLY A 27 -3.545 18.066 -4.971 1.00 0.00 N ATOM 307 CA GLY A 27 -2.865 19.047 -4.153 1.00 0.00 C ATOM 308 C GLY A 27 -2.547 18.522 -2.772 1.00 0.00 C ATOM 309 O GLY A 27 -1.592 18.967 -2.133 1.00 0.00 O ATOM 0 H GLY A 27 -4.533 17.934 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.941 19.350 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.487 19.938 -4.066 1.00 0.00 H new ATOM 313 N LYS A 28 -3.340 17.566 -2.310 1.00 0.00 N ATOM 314 CA LYS A 28 -3.173 17.014 -0.973 1.00 0.00 C ATOM 315 C LYS A 28 -2.314 15.752 -1.015 1.00 0.00 C ATOM 316 O LYS A 28 -2.225 15.002 -0.042 1.00 0.00 O ATOM 317 CB LYS A 28 -4.547 16.736 -0.353 1.00 0.00 C ATOM 318 CG LYS A 28 -4.502 16.455 1.139 1.00 0.00 C ATOM 319 CD LYS A 28 -5.636 17.136 1.877 1.00 0.00 C ATOM 320 CE LYS A 28 -6.995 16.650 1.411 1.00 0.00 C ATOM 321 NZ LYS A 28 -8.100 17.351 2.116 1.00 0.00 N ATOM 0 H LYS A 28 -4.107 17.156 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.654 17.741 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.196 17.593 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.998 15.883 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.554 15.379 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.549 16.796 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.533 16.953 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.567 18.214 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.090 16.809 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.076 15.577 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.014 16.993 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.024 17.179 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.037 18.373 1.931 1.00 0.00 H new ATOM 335 N ALA A 29 -1.660 15.535 -2.148 1.00 0.00 N ATOM 336 CA ALA A 29 -0.773 14.393 -2.318 1.00 0.00 C ATOM 337 C ALA A 29 0.410 14.476 -1.359 1.00 0.00 C ATOM 338 O ALA A 29 0.924 13.457 -0.904 1.00 0.00 O ATOM 339 CB ALA A 29 -0.285 14.316 -3.757 1.00 0.00 C ATOM 0 H ALA A 29 -1.728 16.139 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.333 13.487 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.377 13.458 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.139 14.207 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.257 15.228 -4.007 1.00 0.00 H new ATOM 345 N GLY A 30 0.822 15.700 -1.040 1.00 0.00 N ATOM 346 CA GLY A 30 1.937 15.914 -0.134 1.00 0.00 C ATOM 347 C GLY A 30 1.738 15.264 1.224 1.00 0.00 C ATOM 348 O GLY A 30 2.706 14.915 1.896 1.00 0.00 O ATOM 0 H GLY A 30 0.398 16.556 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.846 15.520 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.086 16.985 0.002 1.00 0.00 H new ATOM 352 N LEU A 31 0.485 15.093 1.631 1.00 0.00 N ATOM 353 CA LEU A 31 0.188 14.470 2.914 1.00 0.00 C ATOM 354 C LEU A 31 0.326 12.954 2.829 1.00 0.00 C ATOM 355 O LEU A 31 0.787 12.316 3.770 1.00 0.00 O ATOM 356 CB LEU A 31 -1.213 14.847 3.399 1.00 0.00 C ATOM 357 CG LEU A 31 -1.393 16.315 3.791 1.00 0.00 C ATOM 358 CD1 LEU A 31 -2.808 16.563 4.286 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.377 16.709 4.855 1.00 0.00 C ATOM 0 H LEU A 31 -0.336 15.375 1.095 1.00 0.00 H new ATOM 0 HA LEU A 31 0.913 14.844 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.929 14.607 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.462 14.225 4.258 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.225 16.932 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.919 17.612 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.518 16.318 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.004 15.937 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.518 17.756 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.516 16.086 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.631 16.567 4.466 1.00 0.00 H new ATOM 371 N VAL A 32 -0.062 12.384 1.693 1.00 0.00 N ATOM 372 CA VAL A 32 0.055 10.952 1.482 1.00 0.00 C ATOM 373 C VAL A 32 1.522 10.565 1.291 1.00 0.00 C ATOM 374 O VAL A 32 1.939 9.459 1.633 1.00 0.00 O ATOM 375 CB VAL A 32 -0.801 10.503 0.276 1.00 0.00 C ATOM 376 CG1 VAL A 32 -0.014 10.496 -1.022 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.418 9.148 0.545 1.00 0.00 C ATOM 0 H VAL A 32 -0.460 12.895 0.905 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.323 10.437 2.366 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.599 11.235 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.661 10.173 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.357 11.500 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.828 9.809 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.018 8.845 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.628 8.416 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.053 9.206 1.429 1.00 0.00 H new ATOM 387 N ILE A 33 2.300 11.496 0.742 1.00 0.00 N ATOM 388 CA ILE A 33 3.741 11.319 0.614 1.00 0.00 C ATOM 389 C ILE A 33 4.405 11.530 1.970 1.00 0.00 C ATOM 390 O ILE A 33 5.361 10.848 2.340 1.00 0.00 O ATOM 391 CB ILE A 33 4.350 12.304 -0.410 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.658 12.159 -1.767 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.850 12.069 -0.553 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.095 13.191 -2.785 1.00 0.00 C ATOM 0 H ILE A 33 1.953 12.383 0.378 1.00 0.00 H new ATOM 0 HA ILE A 33 3.921 10.305 0.258 1.00 0.00 H new ATOM 0 HB ILE A 33 4.193 13.319 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.858 11.163 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.580 12.235 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.261 12.772 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.335 12.218 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.028 11.049 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.563 13.026 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.870 14.190 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.168 13.101 -2.956 1.00 0.00 H new ATOM 406 N GLY A 34 3.875 12.484 2.714 1.00 0.00 N ATOM 407 CA GLY A 34 4.342 12.726 4.056 1.00 0.00 C ATOM 408 C GLY A 34 5.324 13.857 4.138 1.00 0.00 C ATOM 409 O GLY A 34 6.369 13.728 4.778 1.00 0.00 O ATOM 0 H GLY A 34 3.122 13.100 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.489 12.945 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.807 11.819 4.442 1.00 0.00 H new ATOM 413 N LYS A 35 4.994 14.952 3.462 1.00 0.00 N ATOM 414 CA LYS A 35 5.751 16.191 3.554 1.00 0.00 C ATOM 415 C LYS A 35 7.241 15.961 3.309 1.00 0.00 C ATOM 416 O LYS A 35 8.090 16.438 4.062 1.00 0.00 O ATOM 417 CB LYS A 35 5.515 16.835 4.922 1.00 0.00 C ATOM 418 CG LYS A 35 4.082 17.309 5.119 1.00 0.00 C ATOM 419 CD LYS A 35 3.738 17.485 6.589 1.00 0.00 C ATOM 420 CE LYS A 35 3.649 16.142 7.298 1.00 0.00 C ATOM 421 NZ LYS A 35 3.218 16.282 8.713 1.00 0.00 N ATOM 0 H LYS A 35 4.192 15.004 2.834 1.00 0.00 H new ATOM 0 HA LYS A 35 5.401 16.867 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.765 16.117 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.191 17.682 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.938 18.255 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.397 16.590 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.495 18.104 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.789 18.012 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.946 15.499 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.621 15.649 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.171 15.342 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.901 16.874 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.279 16.728 8.747 1.00 0.00 H new ATOM 435 N GLY A 36 7.548 15.217 2.257 1.00 0.00 N ATOM 436 CA GLY A 36 8.930 14.945 1.923 1.00 0.00 C ATOM 437 C GLY A 36 9.172 13.480 1.647 1.00 0.00 C ATOM 438 O GLY A 36 10.071 13.123 0.884 1.00 0.00 O ATOM 0 H GLY A 36 6.864 14.796 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.212 15.529 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.571 15.269 2.743 1.00 0.00 H new ATOM 442 N GLY A 37 8.366 12.628 2.269 1.00 0.00 N ATOM 443 CA GLY A 37 8.488 11.201 2.040 1.00 0.00 C ATOM 444 C GLY A 37 8.672 10.413 3.322 1.00 0.00 C ATOM 445 O GLY A 37 8.864 9.198 3.289 1.00 0.00 O ATOM 0 H GLY A 37 7.633 12.898 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.597 10.843 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.335 11.015 1.380 1.00 0.00 H new ATOM 449 N GLU A 38 8.603 11.097 4.454 1.00 0.00 N ATOM 450 CA GLU A 38 8.765 10.443 5.744 1.00 0.00 C ATOM 451 C GLU A 38 7.565 9.554 6.046 1.00 0.00 C ATOM 452 O GLU A 38 7.713 8.385 6.409 1.00 0.00 O ATOM 453 CB GLU A 38 8.922 11.482 6.849 1.00 0.00 C ATOM 454 CG GLU A 38 9.993 12.521 6.567 1.00 0.00 C ATOM 455 CD GLU A 38 10.094 13.549 7.670 1.00 0.00 C ATOM 456 OE1 GLU A 38 9.280 14.495 7.684 1.00 0.00 O ATOM 457 OE2 GLU A 38 10.978 13.411 8.539 1.00 0.00 O ATOM 0 H GLU A 38 8.436 12.102 4.506 1.00 0.00 H new ATOM 0 HA GLU A 38 9.663 9.826 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.968 11.988 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.160 10.972 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.956 12.025 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.772 13.022 5.625 1.00 0.00 H new ATOM 464 N THR A 39 6.372 10.111 5.876 1.00 0.00 N ATOM 465 CA THR A 39 5.150 9.392 6.181 1.00 0.00 C ATOM 466 C THR A 39 4.973 8.183 5.260 1.00 0.00 C ATOM 467 O THR A 39 4.678 7.093 5.740 1.00 0.00 O ATOM 468 CB THR A 39 3.920 10.314 6.088 1.00 0.00 C ATOM 469 OG1 THR A 39 4.173 11.524 6.819 1.00 0.00 O ATOM 470 CG2 THR A 39 2.678 9.637 6.647 1.00 0.00 C ATOM 0 H THR A 39 6.229 11.059 5.528 1.00 0.00 H new ATOM 0 HA THR A 39 5.234 9.034 7.207 1.00 0.00 H new ATOM 0 HB THR A 39 3.742 10.540 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.391 12.112 6.759 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.827 10.314 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.473 8.728 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.842 9.383 7.694 1.00 0.00 H new ATOM 478 N ILE A 40 5.182 8.360 3.949 1.00 0.00 N ATOM 479 CA ILE A 40 5.032 7.247 3.003 1.00 0.00 C ATOM 480 C ILE A 40 6.002 6.111 3.338 1.00 0.00 C ATOM 481 O ILE A 40 5.673 4.931 3.195 1.00 0.00 O ATOM 482 CB ILE A 40 5.231 7.692 1.530 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.974 6.523 0.572 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.624 8.262 1.308 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.221 6.859 -0.886 1.00 0.00 C ATOM 0 H ILE A 40 5.451 9.248 3.525 1.00 0.00 H new ATOM 0 HA ILE A 40 4.008 6.888 3.105 1.00 0.00 H new ATOM 0 HB ILE A 40 4.507 8.480 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.613 5.686 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.943 6.190 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.732 8.564 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.770 9.128 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.370 7.503 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.018 5.982 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.563 7.674 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.259 7.162 -1.019 1.00 0.00 H new ATOM 497 N LYS A 41 7.191 6.475 3.801 1.00 0.00 N ATOM 498 CA LYS A 41 8.174 5.502 4.249 1.00 0.00 C ATOM 499 C LYS A 41 7.621 4.707 5.427 1.00 0.00 C ATOM 500 O LYS A 41 7.664 3.478 5.444 1.00 0.00 O ATOM 501 CB LYS A 41 9.468 6.217 4.655 1.00 0.00 C ATOM 502 CG LYS A 41 10.501 5.312 5.304 1.00 0.00 C ATOM 503 CD LYS A 41 11.732 6.094 5.735 1.00 0.00 C ATOM 504 CE LYS A 41 12.726 5.213 6.477 1.00 0.00 C ATOM 505 NZ LYS A 41 12.155 4.667 7.737 1.00 0.00 N ATOM 0 H LYS A 41 7.498 7.445 3.876 1.00 0.00 H new ATOM 0 HA LYS A 41 8.392 4.814 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.909 6.677 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.223 7.024 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.061 4.817 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.792 4.529 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.213 6.527 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.431 6.923 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.033 4.390 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.622 5.790 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.927 4.385 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.574 5.395 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.565 3.839 7.520 1.00 0.00 H new ATOM 519 N GLN A 42 7.057 5.425 6.386 1.00 0.00 N ATOM 520 CA GLN A 42 6.551 4.818 7.604 1.00 0.00 C ATOM 521 C GLN A 42 5.272 4.030 7.354 1.00 0.00 C ATOM 522 O GLN A 42 5.046 3.010 7.992 1.00 0.00 O ATOM 523 CB GLN A 42 6.318 5.886 8.666 1.00 0.00 C ATOM 524 CG GLN A 42 7.581 6.280 9.409 1.00 0.00 C ATOM 525 CD GLN A 42 8.123 5.157 10.272 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.773 5.041 11.448 1.00 0.00 O ATOM 527 NE2 GLN A 42 8.970 4.315 9.698 1.00 0.00 N ATOM 0 H GLN A 42 6.938 6.437 6.342 1.00 0.00 H new ATOM 0 HA GLN A 42 7.304 4.115 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.892 6.771 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.582 5.521 9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.343 6.581 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.374 7.148 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.235 4.445 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.357 3.537 10.232 1.00 0.00 H new ATOM 536 N LEU A 43 4.448 4.501 6.422 1.00 0.00 N ATOM 537 CA LEU A 43 3.192 3.831 6.089 1.00 0.00 C ATOM 538 C LEU A 43 3.437 2.375 5.728 1.00 0.00 C ATOM 539 O LEU A 43 2.770 1.472 6.239 1.00 0.00 O ATOM 540 CB LEU A 43 2.500 4.531 4.919 1.00 0.00 C ATOM 541 CG LEU A 43 2.074 5.978 5.177 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.547 6.612 3.904 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.025 6.041 6.276 1.00 0.00 C ATOM 0 H LEU A 43 4.628 5.347 5.882 1.00 0.00 H new ATOM 0 HA LEU A 43 2.548 3.878 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.171 4.516 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.617 3.954 4.644 1.00 0.00 H new ATOM 0 HG LEU A 43 2.949 6.538 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.249 7.641 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.327 6.603 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.685 6.048 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.736 7.078 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.150 5.464 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.436 5.626 7.196 1.00 0.00 H new ATOM 555 N GLN A 44 4.415 2.162 4.863 1.00 0.00 N ATOM 556 CA GLN A 44 4.772 0.827 4.413 1.00 0.00 C ATOM 557 C GLN A 44 5.272 -0.019 5.579 1.00 0.00 C ATOM 558 O GLN A 44 4.840 -1.155 5.768 1.00 0.00 O ATOM 559 CB GLN A 44 5.846 0.924 3.330 1.00 0.00 C ATOM 560 CG GLN A 44 5.419 1.759 2.135 1.00 0.00 C ATOM 561 CD GLN A 44 6.548 1.994 1.157 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.748 1.216 0.225 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.282 3.076 1.355 1.00 0.00 N ATOM 0 H GLN A 44 4.981 2.906 4.455 1.00 0.00 H new ATOM 0 HA GLN A 44 3.886 0.345 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.750 1.355 3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.102 -0.080 2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.597 1.259 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.040 2.719 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.079 3.693 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.051 3.294 0.721 1.00 0.00 H new ATOM 572 N GLU A 45 6.153 0.565 6.382 1.00 0.00 N ATOM 573 CA GLU A 45 6.791 -0.152 7.481 1.00 0.00 C ATOM 574 C GLU A 45 5.814 -0.442 8.625 1.00 0.00 C ATOM 575 O GLU A 45 5.878 -1.503 9.249 1.00 0.00 O ATOM 576 CB GLU A 45 7.980 0.656 8.002 1.00 0.00 C ATOM 577 CG GLU A 45 9.000 0.992 6.925 1.00 0.00 C ATOM 578 CD GLU A 45 10.184 1.766 7.463 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.135 3.011 7.477 1.00 0.00 O ATOM 580 OE2 GLU A 45 11.172 1.127 7.882 1.00 0.00 O ATOM 0 H GLU A 45 6.444 1.539 6.292 1.00 0.00 H new ATOM 0 HA GLU A 45 7.135 -1.112 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.614 1.581 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.472 0.094 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.353 0.069 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.516 1.575 6.141 1.00 0.00 H new ATOM 587 N ARG A 46 4.909 0.493 8.890 1.00 0.00 N ATOM 588 CA ARG A 46 3.991 0.372 10.022 1.00 0.00 C ATOM 589 C ARG A 46 2.878 -0.634 9.742 1.00 0.00 C ATOM 590 O ARG A 46 2.406 -1.314 10.655 1.00 0.00 O ATOM 591 CB ARG A 46 3.384 1.737 10.380 1.00 0.00 C ATOM 592 CG ARG A 46 2.399 2.278 9.352 1.00 0.00 C ATOM 593 CD ARG A 46 2.060 3.737 9.613 1.00 0.00 C ATOM 594 NE ARG A 46 1.523 3.960 10.956 1.00 0.00 N ATOM 595 CZ ARG A 46 1.665 5.107 11.627 1.00 0.00 C ATOM 596 NH1 ARG A 46 2.298 6.130 11.071 1.00 0.00 N ATOM 597 NH2 ARG A 46 1.176 5.237 12.851 1.00 0.00 N ATOM 0 H ARG A 46 4.789 1.343 8.339 1.00 0.00 H new ATOM 0 HA ARG A 46 4.572 0.007 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.878 1.655 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.192 2.458 10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.823 2.176 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.486 1.683 9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.956 4.344 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.333 4.075 8.875 1.00 0.00 H new ATOM 0 HE ARG A 46 1.013 3.199 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.678 6.043 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.405 7.004 11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.686 4.458 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.290 6.117 13.355 1.00 0.00 H new ATOM 611 N ALA A 47 2.460 -0.726 8.487 1.00 0.00 N ATOM 612 CA ALA A 47 1.365 -1.611 8.123 1.00 0.00 C ATOM 613 C ALA A 47 1.881 -2.946 7.600 1.00 0.00 C ATOM 614 O ALA A 47 1.175 -3.952 7.627 1.00 0.00 O ATOM 615 CB ALA A 47 0.461 -0.947 7.095 1.00 0.00 C ATOM 0 H ALA A 47 2.860 -0.202 7.709 1.00 0.00 H new ATOM 0 HA ALA A 47 0.783 -1.809 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.353 -1.624 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.049 -0.028 7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.038 -0.712 6.201 1.00 0.00 H new ATOM 621 N GLY A 48 3.130 -2.954 7.151 1.00 0.00 N ATOM 622 CA GLY A 48 3.714 -4.159 6.593 1.00 0.00 C ATOM 623 C GLY A 48 3.307 -4.371 5.152 1.00 0.00 C ATOM 624 O GLY A 48 3.206 -5.501 4.680 1.00 0.00 O ATOM 0 H GLY A 48 3.751 -2.145 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.800 -4.099 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.406 -5.020 7.187 1.00 0.00 H new ATOM 628 N VAL A 49 3.086 -3.274 4.449 1.00 0.00 N ATOM 629 CA VAL A 49 2.613 -3.321 3.075 1.00 0.00 C ATOM 630 C VAL A 49 3.570 -2.589 2.155 1.00 0.00 C ATOM 631 O VAL A 49 4.459 -1.874 2.611 1.00 0.00 O ATOM 632 CB VAL A 49 1.218 -2.676 2.931 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.179 -3.464 3.701 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.238 -1.223 3.395 1.00 0.00 C ATOM 0 H VAL A 49 3.228 -2.331 4.811 1.00 0.00 H new ATOM 0 HA VAL A 49 2.553 -4.374 2.799 1.00 0.00 H new ATOM 0 HB VAL A 49 0.949 -2.693 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.796 -2.991 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.136 -4.483 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.448 -3.486 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.243 -0.792 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.537 -1.180 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.948 -0.658 2.791 1.00 0.00 H new ATOM 644 N LYS A 50 3.391 -2.776 0.861 1.00 0.00 N ATOM 645 CA LYS A 50 4.129 -2.007 -0.113 1.00 0.00 C ATOM 646 C LYS A 50 3.217 -0.938 -0.692 1.00 0.00 C ATOM 647 O LYS A 50 2.150 -1.246 -1.223 1.00 0.00 O ATOM 648 CB LYS A 50 4.656 -2.907 -1.232 1.00 0.00 C ATOM 649 CG LYS A 50 5.483 -2.158 -2.262 1.00 0.00 C ATOM 650 CD LYS A 50 5.908 -3.062 -3.403 1.00 0.00 C ATOM 651 CE LYS A 50 6.812 -2.328 -4.379 1.00 0.00 C ATOM 652 NZ LYS A 50 8.082 -1.901 -3.735 1.00 0.00 N ATOM 0 H LYS A 50 2.741 -3.454 0.464 1.00 0.00 H new ATOM 0 HA LYS A 50 4.985 -1.541 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.263 -3.701 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.814 -3.387 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.904 -1.322 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.367 -1.736 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.429 -3.933 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.026 -3.430 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.034 -2.975 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.291 -1.455 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.777 -1.653 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.904 -1.072 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.455 -2.678 -3.153 1.00 0.00 H new ATOM 666 N MET A 51 3.627 0.314 -0.586 1.00 0.00 N ATOM 667 CA MET A 51 2.831 1.406 -1.120 1.00 0.00 C ATOM 668 C MET A 51 3.625 2.164 -2.160 1.00 0.00 C ATOM 669 O MET A 51 4.654 2.768 -1.855 1.00 0.00 O ATOM 670 CB MET A 51 2.366 2.362 -0.012 1.00 0.00 C ATOM 671 CG MET A 51 1.466 1.707 1.022 1.00 0.00 C ATOM 672 SD MET A 51 0.823 2.879 2.233 1.00 0.00 S ATOM 673 CE MET A 51 -0.076 4.003 1.167 1.00 0.00 C ATOM 0 H MET A 51 4.499 0.599 -0.139 1.00 0.00 H new ATOM 0 HA MET A 51 1.943 0.976 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.241 2.775 0.490 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.834 3.199 -0.466 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.632 1.221 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.023 0.926 1.539 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.145 5.031 1.454 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.225 3.842 0.132 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.146 3.821 1.266 1.00 0.00 H new ATOM 683 N ILE A 52 3.154 2.120 -3.391 1.00 0.00 N ATOM 684 CA ILE A 52 3.801 2.843 -4.465 1.00 0.00 C ATOM 685 C ILE A 52 2.956 4.045 -4.876 1.00 0.00 C ATOM 686 O ILE A 52 1.837 3.905 -5.376 1.00 0.00 O ATOM 687 CB ILE A 52 4.099 1.932 -5.684 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.738 2.745 -6.819 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.840 1.224 -6.162 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.121 1.918 -8.030 1.00 0.00 C ATOM 0 H ILE A 52 2.327 1.592 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 52 4.762 3.198 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 52 4.808 1.166 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.043 3.525 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.628 3.245 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.080 0.593 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.441 0.607 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.095 1.964 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.565 2.565 -8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.842 1.155 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.232 1.439 -8.439 1.00 0.00 H new ATOM 702 N LEU A 53 3.481 5.226 -4.602 1.00 0.00 N ATOM 703 CA LEU A 53 2.830 6.462 -4.991 1.00 0.00 C ATOM 704 C LEU A 53 3.388 6.942 -6.323 1.00 0.00 C ATOM 705 O LEU A 53 4.571 7.275 -6.422 1.00 0.00 O ATOM 706 CB LEU A 53 3.036 7.539 -3.917 1.00 0.00 C ATOM 707 CG LEU A 53 1.934 7.656 -2.857 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.573 7.846 -3.511 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.929 6.444 -1.942 1.00 0.00 C ATOM 0 H LEU A 53 4.364 5.354 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 53 1.761 6.277 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.980 7.341 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.137 8.504 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 53 2.144 8.536 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.193 7.927 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.581 8.756 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.355 6.992 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.138 6.552 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.753 5.544 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.892 6.365 -1.438 1.00 0.00 H new ATOM 721 N ILE A 54 2.546 6.950 -7.347 1.00 0.00 N ATOM 722 CA ILE A 54 2.944 7.441 -8.656 1.00 0.00 C ATOM 723 C ILE A 54 2.995 8.965 -8.622 1.00 0.00 C ATOM 724 O ILE A 54 2.013 9.646 -8.914 1.00 0.00 O ATOM 725 CB ILE A 54 1.975 6.967 -9.762 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.742 5.451 -9.665 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.514 7.334 -11.135 1.00 0.00 C ATOM 728 CD1 ILE A 54 2.989 4.607 -9.839 1.00 0.00 C ATOM 0 H ILE A 54 1.582 6.621 -7.295 1.00 0.00 H new ATOM 0 HA ILE A 54 3.929 7.038 -8.891 1.00 0.00 H new ATOM 0 HB ILE A 54 1.019 7.471 -9.619 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.300 5.226 -8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.014 5.160 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.819 6.993 -11.902 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.628 8.416 -11.204 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.483 6.857 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.729 3.552 -9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.423 4.797 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.713 4.864 -9.066 1.00 0.00 H new ATOM 740 N GLN A 55 4.149 9.482 -8.233 1.00 0.00 N ATOM 741 CA GLN A 55 4.338 10.912 -8.037 1.00 0.00 C ATOM 742 C GLN A 55 5.032 11.522 -9.242 1.00 0.00 C ATOM 743 O GLN A 55 4.694 12.618 -9.690 1.00 0.00 O ATOM 744 CB GLN A 55 5.200 11.151 -6.796 1.00 0.00 C ATOM 745 CG GLN A 55 4.673 10.485 -5.539 1.00 0.00 C ATOM 746 CD GLN A 55 5.793 10.084 -4.601 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.222 10.864 -3.753 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.270 8.859 -4.746 1.00 0.00 N ATOM 0 H GLN A 55 4.981 8.923 -8.044 1.00 0.00 H new ATOM 0 HA GLN A 55 3.361 11.378 -7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.209 10.787 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.277 12.224 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.995 11.166 -5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.094 9.603 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.885 8.243 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.022 8.530 -4.141 1.00 0.00 H new ATOM 757 N ASP A 56 6.009 10.795 -9.757 1.00 0.00 N ATOM 758 CA ASP A 56 6.863 11.296 -10.820 1.00 0.00 C ATOM 759 C ASP A 56 6.604 10.536 -12.120 1.00 0.00 C ATOM 760 O ASP A 56 7.240 10.785 -13.143 1.00 0.00 O ATOM 761 CB ASP A 56 8.327 11.162 -10.384 1.00 0.00 C ATOM 762 CG ASP A 56 9.308 11.744 -11.380 1.00 0.00 C ATOM 763 OD1 ASP A 56 9.335 12.982 -11.548 1.00 0.00 O ATOM 764 OD2 ASP A 56 10.074 10.965 -11.984 1.00 0.00 O ATOM 0 H ASP A 56 6.232 9.847 -9.453 1.00 0.00 H new ATOM 0 HA ASP A 56 6.640 12.346 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.459 11.659 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.558 10.108 -10.232 1.00 0.00 H new ATOM 769 N GLY A 57 5.653 9.614 -12.078 1.00 0.00 N ATOM 770 CA GLY A 57 5.328 8.836 -13.259 1.00 0.00 C ATOM 771 C GLY A 57 3.984 9.211 -13.840 1.00 0.00 C ATOM 772 O GLY A 57 3.199 9.908 -13.191 1.00 0.00 O ATOM 0 H GLY A 57 5.101 9.390 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.101 8.984 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.329 7.776 -13.005 1.00 0.00 H new ATOM 776 N SER A 58 3.723 8.751 -15.065 1.00 0.00 N ATOM 777 CA SER A 58 2.460 9.013 -15.745 1.00 0.00 C ATOM 778 C SER A 58 2.263 10.505 -15.991 1.00 0.00 C ATOM 779 O SER A 58 3.174 11.315 -15.795 1.00 0.00 O ATOM 780 CB SER A 58 1.292 8.461 -14.922 1.00 0.00 C ATOM 781 OG SER A 58 1.427 7.063 -14.716 1.00 0.00 O ATOM 0 H SER A 58 4.379 8.190 -15.608 1.00 0.00 H new ATOM 0 HA SER A 58 2.489 8.510 -16.712 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.248 8.971 -13.960 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.352 8.667 -15.435 1.00 0.00 H new ATOM 0 HG SER A 58 0.670 6.736 -14.187 1.00 0.00 H new ATOM 787 N GLN A 59 1.074 10.856 -16.451 1.00 0.00 N ATOM 788 CA GLN A 59 0.718 12.236 -16.678 1.00 0.00 C ATOM 789 C GLN A 59 -0.464 12.609 -15.808 1.00 0.00 C ATOM 790 O GLN A 59 -1.135 13.612 -16.041 1.00 0.00 O ATOM 791 CB GLN A 59 0.410 12.475 -18.153 1.00 0.00 C ATOM 792 CG GLN A 59 1.650 12.467 -19.026 1.00 0.00 C ATOM 793 CD GLN A 59 2.581 13.627 -18.724 1.00 0.00 C ATOM 794 OE1 GLN A 59 2.017 14.757 -18.327 1.00 0.00 O flip ATOM 795 NE2 GLN A 59 3.795 13.517 -18.873 1.00 0.00 N flip ATOM 0 H GLN A 59 0.334 10.191 -16.675 1.00 0.00 H new ATOM 0 HA GLN A 59 1.562 12.871 -16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.279 11.707 -18.504 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.098 13.433 -18.262 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.186 11.529 -18.882 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.353 12.507 -20.074 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.193 12.629 -19.180 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.406 14.313 -18.689 1.00 0.00 H new ATOM 804 N ASN A 60 -0.706 11.788 -14.789 1.00 0.00 N ATOM 805 CA ASN A 60 -1.701 12.103 -13.772 1.00 0.00 C ATOM 806 C ASN A 60 -1.059 13.007 -12.733 1.00 0.00 C ATOM 807 O ASN A 60 -1.594 13.237 -11.651 1.00 0.00 O ATOM 808 CB ASN A 60 -2.251 10.838 -13.096 1.00 0.00 C ATOM 809 CG ASN A 60 -2.804 9.828 -14.084 1.00 0.00 C ATOM 810 OD1 ASN A 60 -2.072 8.988 -14.605 1.00 0.00 O ATOM 811 ND2 ASN A 60 -4.103 9.891 -14.338 1.00 0.00 N ATOM 0 H ASN A 60 -0.225 10.900 -14.647 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.542 12.604 -14.251 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.457 10.370 -12.513 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.037 11.120 -12.395 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.529 9.228 -14.986 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.677 10.603 -13.886 1.00 0.00 H new ATOM 818 N THR A 61 0.106 13.519 -13.090 1.00 0.00 N ATOM 819 CA THR A 61 0.841 14.450 -12.266 1.00 0.00 C ATOM 820 C THR A 61 0.070 15.757 -12.102 1.00 0.00 C ATOM 821 O THR A 61 0.349 16.548 -11.202 1.00 0.00 O ATOM 822 CB THR A 61 2.218 14.727 -12.881 1.00 0.00 C ATOM 823 OG1 THR A 61 2.071 15.036 -14.271 1.00 0.00 O ATOM 824 CG2 THR A 61 3.130 13.520 -12.725 1.00 0.00 C ATOM 0 H THR A 61 0.569 13.295 -13.971 1.00 0.00 H new ATOM 0 HA THR A 61 0.973 14.003 -11.281 1.00 0.00 H new ATOM 0 HB THR A 61 2.665 15.573 -12.360 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.952 15.214 -14.661 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.102 13.738 -13.168 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.257 13.294 -11.666 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.686 12.661 -13.229 1.00 0.00 H new ATOM 832 N ASN A 62 -0.899 15.978 -12.979 1.00 0.00 N ATOM 833 CA ASN A 62 -1.747 17.165 -12.886 1.00 0.00 C ATOM 834 C ASN A 62 -3.094 16.833 -12.245 1.00 0.00 C ATOM 835 O ASN A 62 -3.909 17.723 -12.006 1.00 0.00 O ATOM 836 CB ASN A 62 -1.980 17.793 -14.268 1.00 0.00 C ATOM 837 CG ASN A 62 -2.829 16.931 -15.186 1.00 0.00 C ATOM 838 OD1 ASN A 62 -2.786 15.701 -15.130 1.00 0.00 O ATOM 839 ND2 ASN A 62 -3.614 17.574 -16.035 1.00 0.00 N ATOM 0 H ASN A 62 -1.119 15.358 -13.759 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.222 17.883 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.463 18.762 -14.142 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.016 17.977 -14.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.212 17.050 -16.674 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.621 18.594 -16.051 1.00 0.00 H new ATOM 846 N VAL A 63 -3.323 15.555 -11.965 1.00 0.00 N ATOM 847 CA VAL A 63 -4.598 15.111 -11.410 1.00 0.00 C ATOM 848 C VAL A 63 -4.386 14.159 -10.235 1.00 0.00 C ATOM 849 O VAL A 63 -3.348 14.202 -9.570 1.00 0.00 O ATOM 850 CB VAL A 63 -5.474 14.406 -12.474 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.922 15.379 -13.558 1.00 0.00 C ATOM 852 CG2 VAL A 63 -4.739 13.226 -13.082 1.00 0.00 C ATOM 0 H VAL A 63 -2.644 14.808 -12.113 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.114 16.007 -11.065 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.367 14.033 -11.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.535 14.852 -14.289 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.505 16.182 -13.107 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.047 15.799 -14.054 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.374 12.746 -13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.822 13.574 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.492 12.509 -12.299 1.00 0.00 H new ATOM 862 N ASP A 64 -5.387 13.323 -9.985 1.00 0.00 N ATOM 863 CA ASP A 64 -5.340 12.327 -8.919 1.00 0.00 C ATOM 864 C ASP A 64 -4.141 11.397 -9.082 1.00 0.00 C ATOM 865 O ASP A 64 -3.699 11.115 -10.197 1.00 0.00 O ATOM 866 CB ASP A 64 -6.626 11.504 -8.912 1.00 0.00 C ATOM 867 CG ASP A 64 -7.855 12.339 -8.615 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.360 13.013 -9.540 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.327 12.330 -7.459 1.00 0.00 O ATOM 0 H ASP A 64 -6.257 13.316 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.239 12.857 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.747 11.019 -9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.541 10.712 -8.168 1.00 0.00 H new ATOM 874 N LYS A 65 -3.633 10.910 -7.961 1.00 0.00 N ATOM 875 CA LYS A 65 -2.432 10.086 -7.957 1.00 0.00 C ATOM 876 C LYS A 65 -2.779 8.620 -7.816 1.00 0.00 C ATOM 877 O LYS A 65 -3.511 8.237 -6.905 1.00 0.00 O ATOM 878 CB LYS A 65 -1.513 10.472 -6.802 1.00 0.00 C ATOM 879 CG LYS A 65 -1.280 11.961 -6.689 1.00 0.00 C ATOM 880 CD LYS A 65 -0.670 12.517 -7.957 1.00 0.00 C ATOM 881 CE LYS A 65 -0.595 14.027 -7.901 1.00 0.00 C ATOM 882 NZ LYS A 65 -0.111 14.601 -9.176 1.00 0.00 N ATOM 0 H LYS A 65 -4.035 11.071 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.926 10.254 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.943 10.108 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.553 9.971 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.225 12.465 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.621 12.166 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.329 12.104 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.265 12.210 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.581 14.432 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.070 14.328 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.340 15.615 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.919 14.476 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.572 14.116 -9.972 1.00 0.00 H new ATOM 896 N PRO A 66 -2.271 7.791 -8.727 1.00 0.00 N ATOM 897 CA PRO A 66 -2.387 6.336 -8.633 1.00 0.00 C ATOM 898 C PRO A 66 -1.621 5.787 -7.429 1.00 0.00 C ATOM 899 O PRO A 66 -0.390 5.845 -7.378 1.00 0.00 O ATOM 900 CB PRO A 66 -1.760 5.841 -9.943 1.00 0.00 C ATOM 901 CG PRO A 66 -1.761 7.028 -10.844 1.00 0.00 C ATOM 902 CD PRO A 66 -1.562 8.206 -9.943 1.00 0.00 C ATOM 0 HA PRO A 66 -3.418 6.010 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.748 5.470 -9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.336 5.020 -10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.965 6.960 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.700 7.106 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.506 8.399 -9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.981 9.118 -10.367 1.00 0.00 H new ATOM 910 N LEU A 67 -2.354 5.284 -6.453 1.00 0.00 N ATOM 911 CA LEU A 67 -1.748 4.693 -5.271 1.00 0.00 C ATOM 912 C LEU A 67 -2.012 3.202 -5.245 1.00 0.00 C ATOM 913 O LEU A 67 -3.159 2.778 -5.271 1.00 0.00 O ATOM 914 CB LEU A 67 -2.302 5.340 -3.995 1.00 0.00 C ATOM 915 CG LEU A 67 -2.069 4.543 -2.704 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.588 4.315 -2.459 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.698 5.250 -1.518 1.00 0.00 C ATOM 0 H LEU A 67 -3.374 5.272 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.673 4.869 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.851 6.326 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.374 5.493 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.546 3.570 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.455 3.748 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.163 3.757 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.082 5.276 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.522 4.669 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.254 6.239 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.771 5.350 -1.681 1.00 0.00 H new ATOM 929 N ARG A 68 -0.954 2.411 -5.203 1.00 0.00 N ATOM 930 CA ARG A 68 -1.102 0.970 -5.126 1.00 0.00 C ATOM 931 C ARG A 68 -0.589 0.436 -3.802 1.00 0.00 C ATOM 932 O ARG A 68 0.606 0.500 -3.508 1.00 0.00 O ATOM 933 CB ARG A 68 -0.390 0.284 -6.291 1.00 0.00 C ATOM 934 CG ARG A 68 -1.136 0.428 -7.601 1.00 0.00 C ATOM 935 CD ARG A 68 -0.450 -0.303 -8.739 1.00 0.00 C ATOM 936 NE ARG A 68 -1.301 -0.337 -9.927 1.00 0.00 N ATOM 937 CZ ARG A 68 -1.130 -1.164 -10.952 1.00 0.00 C ATOM 938 NH1 ARG A 68 -0.085 -1.983 -10.990 1.00 0.00 N ATOM 939 NH2 ARG A 68 -2.008 -1.162 -11.943 1.00 0.00 N ATOM 0 H ARG A 68 0.011 2.741 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.166 0.744 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.609 0.705 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.267 -0.775 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.149 0.043 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.224 1.485 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.493 0.189 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.209 -1.320 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.080 0.320 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.593 -1.980 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.039 -2.615 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.807 -0.529 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.885 -1.794 -12.735 1.00 0.00 H new ATOM 953 N ILE A 69 -1.515 -0.059 -2.997 1.00 0.00 N ATOM 954 CA ILE A 69 -1.173 -0.752 -1.769 1.00 0.00 C ATOM 955 C ILE A 69 -1.119 -2.243 -2.066 1.00 0.00 C ATOM 956 O ILE A 69 -2.156 -2.882 -2.253 1.00 0.00 O ATOM 957 CB ILE A 69 -2.191 -0.495 -0.628 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.405 1.002 -0.389 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.730 -1.165 0.658 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.444 1.621 -1.299 1.00 0.00 C ATOM 0 H ILE A 69 -2.517 0.008 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.210 -0.374 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.143 -0.927 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.705 1.156 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.457 1.522 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.456 -0.974 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.642 -2.240 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.761 -0.762 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.541 2.683 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.137 1.499 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.404 1.128 -1.144 1.00 0.00 H new ATOM 972 N ILE A 70 0.084 -2.783 -2.143 1.00 0.00 N ATOM 973 CA ILE A 70 0.276 -4.156 -2.580 1.00 0.00 C ATOM 974 C ILE A 70 0.718 -5.042 -1.416 1.00 0.00 C ATOM 975 O ILE A 70 1.615 -4.677 -0.653 1.00 0.00 O ATOM 976 CB ILE A 70 1.336 -4.235 -3.702 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.238 -3.013 -4.627 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.156 -5.515 -4.502 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.317 -2.960 -5.690 1.00 0.00 C ATOM 0 H ILE A 70 0.946 -2.291 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.681 -4.512 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 70 2.325 -4.240 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.262 -3.015 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.292 -2.107 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.908 -5.560 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.269 -6.375 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.162 -5.528 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.180 -2.069 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.296 -2.926 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.251 -3.847 -6.320 1.00 0.00 H new ATOM 991 N GLY A 71 0.073 -6.193 -1.271 1.00 0.00 N ATOM 992 CA GLY A 71 0.481 -7.140 -0.259 1.00 0.00 C ATOM 993 C GLY A 71 -0.653 -8.022 0.227 1.00 0.00 C ATOM 994 O GLY A 71 -1.294 -8.719 -0.563 1.00 0.00 O ATOM 0 H GLY A 71 -0.724 -6.485 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.276 -7.769 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.900 -6.598 0.589 1.00 0.00 H new ATOM 998 N ASP A 72 -0.884 -7.988 1.532 1.00 0.00 N ATOM 999 CA ASP A 72 -1.898 -8.818 2.180 1.00 0.00 C ATOM 1000 C ASP A 72 -3.223 -8.077 2.283 1.00 0.00 C ATOM 1001 O ASP A 72 -3.264 -6.923 2.692 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.412 -9.219 3.575 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.545 -9.495 4.548 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.248 -10.505 4.385 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -2.713 -8.695 5.493 1.00 0.00 O ATOM 0 H ASP A 72 -0.374 -7.383 2.176 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.056 -9.712 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.788 -10.109 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.783 -8.424 3.976 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.321 -8.771 1.913 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.680 -8.208 1.865 1.00 0.00 C ATOM 1012 C PRO A 73 -6.077 -7.464 3.134 1.00 0.00 C ATOM 1013 O PRO A 73 -6.827 -6.489 3.079 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.574 -9.438 1.700 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.714 -10.476 1.074 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.302 -10.189 1.501 1.00 0.00 C ATOM 0 HA PRO A 73 -5.763 -7.471 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.958 -9.775 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.437 -9.214 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.019 -11.473 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.802 -10.447 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.996 -10.837 2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.599 -10.356 0.685 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.581 -7.937 4.268 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.909 -7.345 5.554 1.00 0.00 C ATOM 1026 C TYR A 74 -5.207 -5.999 5.713 1.00 0.00 C ATOM 1027 O TYR A 74 -5.859 -4.972 5.900 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.519 -8.308 6.681 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.782 -7.797 8.085 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -6.988 -7.194 8.423 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.817 -7.933 9.076 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.222 -6.740 9.709 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.044 -7.482 10.363 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.246 -6.884 10.674 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.475 -6.431 11.956 1.00 0.00 O ATOM 0 H TYR A 74 -4.946 -8.734 4.322 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.983 -7.169 5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.063 -9.243 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.458 -8.540 6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.754 -7.078 7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.873 -8.399 8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.165 -6.275 9.957 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.283 -7.598 11.121 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.688 -6.610 12.512 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.884 -5.999 5.602 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.114 -4.770 5.771 1.00 0.00 C ATOM 1047 C LYS A 75 -3.287 -3.828 4.586 1.00 0.00 C ATOM 1048 O LYS A 75 -3.130 -2.620 4.738 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.634 -5.061 6.020 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.064 -6.188 5.177 1.00 0.00 C ATOM 1051 CD LYS A 75 0.301 -6.625 5.683 1.00 0.00 C ATOM 1052 CE LYS A 75 0.212 -7.262 7.064 1.00 0.00 C ATOM 1053 NZ LYS A 75 -0.585 -8.519 7.047 1.00 0.00 N ATOM 0 H LYS A 75 -3.325 -6.827 5.398 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.510 -4.269 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.061 -4.154 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.497 -5.307 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.748 -7.037 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.982 -5.863 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.739 -7.336 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.968 -5.764 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.216 -7.474 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.239 -6.556 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.621 -8.920 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.551 -8.313 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.141 -9.203 6.402 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.606 -4.368 3.412 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.971 -3.524 2.275 1.00 0.00 C ATOM 1069 C VAL A 76 -5.137 -2.615 2.655 1.00 0.00 C ATOM 1070 O VAL A 76 -5.133 -1.422 2.349 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.338 -4.350 1.013 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -5.068 -3.493 -0.021 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.083 -4.955 0.395 1.00 0.00 C ATOM 0 H VAL A 76 -3.620 -5.370 3.223 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.095 -2.925 2.026 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.009 -5.151 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.311 -4.102 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.987 -3.101 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.428 -2.665 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.355 -5.532 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.396 -4.157 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.599 -5.609 1.120 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.112 -3.173 3.360 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.258 -2.397 3.799 1.00 0.00 C ATOM 1085 C GLN A 77 -6.895 -1.504 4.975 1.00 0.00 C ATOM 1086 O GLN A 77 -7.264 -0.330 4.997 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.429 -3.303 4.165 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.489 -3.364 3.080 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.042 -1.991 2.735 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.426 -1.734 1.595 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.092 -1.101 3.722 1.00 0.00 N ATOM 0 H GLN A 77 -6.130 -4.154 3.638 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.563 -1.763 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.057 -4.309 4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.883 -2.947 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.063 -3.817 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.304 -4.010 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.763 -1.354 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.459 -0.166 3.547 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.164 -2.059 5.938 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.708 -1.293 7.097 1.00 0.00 C ATOM 1102 C GLN A 78 -4.984 -0.034 6.649 1.00 0.00 C ATOM 1103 O GLN A 78 -5.284 1.068 7.107 1.00 0.00 O ATOM 1104 CB GLN A 78 -4.756 -2.118 7.962 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.368 -3.375 8.544 1.00 0.00 C ATOM 1106 CD GLN A 78 -4.384 -4.130 9.411 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.640 -4.985 8.932 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -4.371 -3.815 10.695 1.00 0.00 N ATOM 0 H GLN A 78 -5.874 -3.037 5.940 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.590 -1.029 7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.888 -2.395 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.393 -1.494 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.246 -3.112 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.710 -4.021 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.005 -3.100 11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.727 -4.287 11.329 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.040 -0.215 5.740 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.235 0.879 5.237 1.00 0.00 C ATOM 1119 C ALA A 79 -4.075 1.852 4.415 1.00 0.00 C ATOM 1120 O ALA A 79 -3.883 3.064 4.495 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.078 0.326 4.417 1.00 0.00 C ATOM 0 H ALA A 79 -3.813 -1.122 5.333 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.834 1.436 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.473 1.150 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.462 -0.318 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.469 -0.251 3.579 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.018 1.317 3.647 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.876 2.131 2.793 1.00 0.00 C ATOM 1129 C CYS A 80 -6.728 3.095 3.611 1.00 0.00 C ATOM 1130 O CYS A 80 -6.654 4.311 3.422 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.770 1.232 1.938 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.920 2.121 0.867 1.00 0.00 S ATOM 0 H CYS A 80 -5.208 0.316 3.598 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.234 2.725 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.138 0.594 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.339 0.576 2.596 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.360 1.320 -0.057 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.517 2.563 4.536 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.387 3.399 5.354 1.00 0.00 C ATOM 1140 C GLU A 81 -7.564 4.275 6.292 1.00 0.00 C ATOM 1141 O GLU A 81 -8.052 5.277 6.811 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.398 2.553 6.132 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.777 1.458 6.978 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.819 0.612 7.669 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -10.318 -0.349 7.048 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -10.155 0.911 8.833 1.00 0.00 O ATOM 0 H GLU A 81 -7.573 1.565 4.738 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.951 4.052 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.981 3.209 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.094 2.100 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.155 0.823 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.121 1.906 7.725 1.00 0.00 H new ATOM 1153 N MET A 82 -6.313 3.888 6.501 1.00 0.00 N ATOM 1154 CA MET A 82 -5.378 4.689 7.285 1.00 0.00 C ATOM 1155 C MET A 82 -4.919 5.910 6.490 1.00 0.00 C ATOM 1156 O MET A 82 -4.988 7.040 6.977 1.00 0.00 O ATOM 1157 CB MET A 82 -4.165 3.848 7.690 1.00 0.00 C ATOM 1158 CG MET A 82 -3.133 4.607 8.508 1.00 0.00 C ATOM 1159 SD MET A 82 -1.717 3.580 8.958 1.00 0.00 S ATOM 1160 CE MET A 82 -1.105 3.118 7.338 1.00 0.00 C ATOM 0 H MET A 82 -5.919 3.020 6.137 1.00 0.00 H new ATOM 0 HA MET A 82 -5.891 5.028 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.508 2.987 8.264 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.687 3.461 6.790 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.786 5.470 7.939 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.602 4.990 9.414 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.195 2.039 7.209 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.689 3.625 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.058 3.408 7.248 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.462 5.683 5.261 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.925 6.765 4.441 1.00 0.00 C ATOM 1172 C VAL A 83 -5.036 7.633 3.858 1.00 0.00 C ATOM 1173 O VAL A 83 -4.871 8.845 3.714 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.011 6.246 3.307 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.843 5.470 3.886 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.783 5.387 2.315 1.00 0.00 C ATOM 0 H VAL A 83 -4.453 4.766 4.814 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.317 7.376 5.108 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.627 7.111 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.208 5.111 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.263 6.120 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.218 4.621 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.109 5.040 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.210 4.528 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.584 5.977 1.869 1.00 0.00 H new ATOM 1186 N MET A 84 -6.177 7.028 3.539 1.00 0.00 N ATOM 1187 CA MET A 84 -7.319 7.794 3.062 1.00 0.00 C ATOM 1188 C MET A 84 -7.871 8.654 4.186 1.00 0.00 C ATOM 1189 O MET A 84 -8.483 9.689 3.941 1.00 0.00 O ATOM 1190 CB MET A 84 -8.424 6.890 2.508 1.00 0.00 C ATOM 1191 CG MET A 84 -8.057 6.194 1.208 1.00 0.00 C ATOM 1192 SD MET A 84 -9.462 5.342 0.460 1.00 0.00 S ATOM 1193 CE MET A 84 -10.524 6.728 0.046 1.00 0.00 C ATOM 0 H MET A 84 -6.333 6.022 3.602 1.00 0.00 H new ATOM 0 HA MET A 84 -6.972 8.429 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.671 6.136 3.255 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.322 7.487 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.665 6.928 0.504 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.259 5.476 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.193 6.444 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.113 7.009 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.912 7.574 -0.266 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.643 8.218 5.423 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.052 8.992 6.595 1.00 0.00 C ATOM 1205 C ASP A 85 -7.238 10.273 6.703 1.00 0.00 C ATOM 1206 O ASP A 85 -7.760 11.314 7.085 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.898 8.174 7.878 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.160 8.991 9.128 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.338 9.302 9.409 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.192 9.317 9.841 1.00 0.00 O ATOM 0 H ASP A 85 -7.179 7.336 5.640 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.104 9.247 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.586 7.329 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.890 7.762 7.923 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.962 10.193 6.338 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.077 11.356 6.374 1.00 0.00 C ATOM 1217 C ILE A 86 -5.579 12.424 5.411 1.00 0.00 C ATOM 1218 O ILE A 86 -5.496 13.623 5.680 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.623 10.979 5.999 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.126 9.831 6.878 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.704 12.184 6.143 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.745 9.332 6.512 1.00 0.00 C ATOM 0 H ILE A 86 -5.516 9.335 6.013 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.082 11.739 7.394 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.611 10.655 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.119 10.159 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.831 9.002 6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.686 11.900 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.044 12.982 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.723 12.535 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.463 8.518 7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.749 8.972 5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.027 10.146 6.608 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.127 11.973 4.293 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.640 12.870 3.271 1.00 0.00 C ATOM 1236 C LEU A 87 -8.097 13.228 3.551 1.00 0.00 C ATOM 1237 O LEU A 87 -8.673 14.095 2.895 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.511 12.214 1.894 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.126 11.646 1.582 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.116 11.001 0.210 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.065 12.733 1.674 1.00 0.00 C ATOM 0 H LEU A 87 -6.228 10.983 4.070 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.054 13.789 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.243 11.410 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.767 12.949 1.131 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.892 10.882 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.123 10.602 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.846 10.192 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.372 11.745 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.087 12.307 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.291 13.523 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.056 13.148 2.682 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.685 12.553 4.531 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.074 12.780 4.907 1.00 0.00 C ATOM 1255 C ARG A 88 -10.135 13.634 6.166 1.00 0.00 C ATOM 1256 O ARG A 88 -11.191 14.130 6.565 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.763 11.431 5.141 1.00 0.00 C ATOM 1258 CG ARG A 88 -12.257 11.510 5.387 1.00 0.00 C ATOM 1259 CD ARG A 88 -13.004 11.994 4.158 1.00 0.00 C ATOM 1260 NE ARG A 88 -14.445 11.786 4.284 1.00 0.00 N ATOM 1261 CZ ARG A 88 -15.311 11.932 3.282 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -14.889 12.349 2.092 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -16.597 11.658 3.473 1.00 0.00 N ATOM 0 H ARG A 88 -8.215 11.837 5.085 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.590 13.308 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.586 10.794 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.294 10.944 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.630 10.528 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.453 12.184 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.802 13.054 4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.636 11.467 3.278 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.811 11.512 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.901 12.557 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.553 12.460 1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.920 11.336 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.261 11.769 2.707 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.981 13.804 6.770 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.852 14.539 8.013 1.00 0.00 C ATOM 1279 C GLU A 89 -8.585 16.010 7.717 1.00 0.00 C ATOM 1280 O GLU A 89 -9.482 16.843 7.962 1.00 0.00 O ATOM 1281 CB GLU A 89 -7.715 13.950 8.854 1.00 0.00 C ATOM 1282 CG GLU A 89 -7.696 14.445 10.292 1.00 0.00 C ATOM 1283 CD GLU A 89 -8.869 13.925 11.099 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -9.935 14.581 11.105 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -8.732 12.854 11.726 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.488 16.323 7.206 1.00 0.00 O ATOM 0 H GLU A 89 -8.099 13.435 6.413 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.781 14.456 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.801 12.863 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.763 14.194 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.766 14.135 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.709 15.535 10.298 1.00 0.00 H new TER 1293 GLU A 89