USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 561 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 41 SER OG : rot 87:sc= 0.147 USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.604 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -155:sc= -0.976! (180deg=-2.43!) USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 43 TYR OH : rot 110:sc=-0.00624 USER MOD Set 3.1: A 1 MET CE :methyl -121:sc= -0.259 (180deg=-0.343) USER MOD Set 3.2: A 3 HIS : no HD1:sc= -2.2! C(o=-2.5!,f=-7.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.0201 F(o=-0.77,f=-0.02) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -32:sc= 0.62 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 16:sc= 0.0976 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.14 F(o=-1.6!,f=-0.14) USER MOD Single : A 30 TYR OH : rot 66:sc= 0.548 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0119 (180deg=-0.113) USER MOD Single : A 37 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -9:sc= 1.07 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 37:sc= 0.224 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -64:sc= 1.14 USER MOD Single : A 67 SER OG : rot -117:sc= 1.13 USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 1.05 (180deg=-0.803!) USER MOD Single : A 73 SER OG : rot 180:sc=-0.00473 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.543 11.282 9.331 1.00 0.00 N ATOM 2 CA MET A 1 14.394 10.243 8.286 1.00 0.00 C ATOM 3 C MET A 1 14.349 8.856 8.920 1.00 0.00 C ATOM 4 O MET A 1 15.385 8.268 9.230 1.00 0.00 O ATOM 5 CB MET A 1 15.553 10.322 7.287 1.00 0.00 C ATOM 6 CG MET A 1 15.479 9.296 6.167 1.00 0.00 C ATOM 7 SD MET A 1 16.932 9.347 5.099 1.00 0.00 S ATOM 8 CE MET A 1 16.561 8.047 3.926 1.00 0.00 C ATOM 0 H1 MET A 1 14.572 12.221 8.885 1.00 0.00 H new ATOM 0 H2 MET A 1 13.736 11.234 9.985 1.00 0.00 H new ATOM 0 H3 MET A 1 15.425 11.121 9.857 1.00 0.00 H new ATOM 0 HA MET A 1 13.458 10.419 7.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.574 11.320 6.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.492 10.190 7.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.380 8.299 6.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.585 9.476 5.570 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.346 7.292 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.606 7.589 4.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.505 8.468 2.922 1.00 0.00 H new ATOM 20 N THR A 2 13.148 8.345 9.133 1.00 0.00 N ATOM 21 CA THR A 2 12.973 7.025 9.712 1.00 0.00 C ATOM 22 C THR A 2 12.786 5.974 8.623 1.00 0.00 C ATOM 23 O THR A 2 12.212 6.259 7.575 1.00 0.00 O ATOM 24 CB THR A 2 11.760 7.005 10.660 1.00 0.00 C ATOM 25 OG1 THR A 2 10.669 7.727 10.065 1.00 0.00 O ATOM 26 CG2 THR A 2 12.113 7.614 12.011 1.00 0.00 C ATOM 0 H THR A 2 12.277 8.827 8.912 1.00 0.00 H new ATOM 0 HA THR A 2 13.874 6.789 10.279 1.00 0.00 H new ATOM 0 HB THR A 2 11.465 5.968 10.822 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.898 7.711 10.670 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.239 7.588 12.662 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.922 7.044 12.467 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.431 8.647 11.872 1.00 0.00 H new ATOM 34 N HIS A 3 13.297 4.773 8.859 1.00 0.00 N ATOM 35 CA HIS A 3 13.105 3.665 7.932 1.00 0.00 C ATOM 36 C HIS A 3 12.439 2.493 8.634 1.00 0.00 C ATOM 37 O HIS A 3 13.065 1.778 9.416 1.00 0.00 O ATOM 38 CB HIS A 3 14.437 3.222 7.314 1.00 0.00 C ATOM 39 CG HIS A 3 14.698 3.822 5.967 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.393 3.175 4.967 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.343 5.019 5.452 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.449 3.949 3.899 1.00 0.00 C ATOM 43 NE2 HIS A 3 14.815 5.074 4.164 1.00 0.00 N ATOM 0 H HIS A 3 13.848 4.541 9.685 1.00 0.00 H new ATOM 0 HA HIS A 3 12.455 4.011 7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.250 3.494 7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.445 2.136 7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.788 5.793 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.933 3.702 2.965 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.695 5.855 3.519 1.00 0.00 H new ATOM 52 N HIS A 4 11.166 2.306 8.347 1.00 0.00 N ATOM 53 CA HIS A 4 10.404 1.215 8.924 1.00 0.00 C ATOM 54 C HIS A 4 10.223 0.120 7.886 1.00 0.00 C ATOM 55 O HIS A 4 9.658 0.361 6.822 1.00 0.00 O ATOM 56 CB HIS A 4 9.037 1.711 9.402 1.00 0.00 C ATOM 57 CG HIS A 4 8.202 0.660 10.040 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.082 0.075 9.605 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 8.482 0.100 11.263 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 6.698 -0.836 10.554 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 7.563 -0.802 11.547 1.00 0.00 N flip ATOM 0 H HIS A 4 10.633 2.901 7.712 1.00 0.00 H new ATOM 0 HA HIS A 4 10.947 0.818 9.782 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.185 2.524 10.113 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.495 2.125 8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.321 0.358 11.892 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.830 -1.476 10.497 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.528 -1.375 12.390 1.00 0.00 H new ATOM 70 N THR A 5 10.705 -1.071 8.195 1.00 0.00 N ATOM 71 CA THR A 5 10.610 -2.186 7.271 1.00 0.00 C ATOM 72 C THR A 5 9.808 -3.330 7.883 1.00 0.00 C ATOM 73 O THR A 5 10.076 -3.764 9.006 1.00 0.00 O ATOM 74 CB THR A 5 12.005 -2.704 6.878 1.00 0.00 C ATOM 75 OG1 THR A 5 13.018 -1.774 7.294 1.00 0.00 O ATOM 76 CG2 THR A 5 12.094 -2.904 5.375 1.00 0.00 C ATOM 0 H THR A 5 11.166 -1.290 9.078 1.00 0.00 H new ATOM 0 HA THR A 5 10.101 -1.823 6.378 1.00 0.00 H new ATOM 0 HB THR A 5 12.165 -3.660 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.900 -2.116 7.040 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.087 -3.270 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.345 -3.630 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.914 -1.955 4.870 1.00 0.00 H new ATOM 84 N GLU A 6 8.824 -3.806 7.143 1.00 0.00 N ATOM 85 CA GLU A 6 7.988 -4.918 7.579 1.00 0.00 C ATOM 86 C GLU A 6 7.780 -5.878 6.417 1.00 0.00 C ATOM 87 O GLU A 6 7.769 -5.460 5.265 1.00 0.00 O ATOM 88 CB GLU A 6 6.634 -4.406 8.088 1.00 0.00 C ATOM 89 CG GLU A 6 5.707 -5.507 8.591 1.00 0.00 C ATOM 90 CD GLU A 6 4.358 -4.985 9.040 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.263 -4.466 10.172 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.378 -5.101 8.274 1.00 0.00 O ATOM 0 H GLU A 6 8.579 -3.436 6.224 1.00 0.00 H new ATOM 0 HA GLU A 6 8.486 -5.439 8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.806 -3.693 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.136 -3.864 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.561 -6.242 7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.185 -6.025 9.422 1.00 0.00 H new ATOM 99 N VAL A 7 7.644 -7.160 6.708 1.00 0.00 N ATOM 100 CA VAL A 7 7.368 -8.136 5.668 1.00 0.00 C ATOM 101 C VAL A 7 5.970 -8.707 5.838 1.00 0.00 C ATOM 102 O VAL A 7 5.629 -9.242 6.894 1.00 0.00 O ATOM 103 CB VAL A 7 8.403 -9.283 5.656 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.012 -10.359 4.652 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.789 -8.748 5.340 1.00 0.00 C ATOM 0 H VAL A 7 7.719 -7.548 7.648 1.00 0.00 H new ATOM 0 HA VAL A 7 7.438 -7.616 4.713 1.00 0.00 H new ATOM 0 HB VAL A 7 8.419 -9.731 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.757 -11.155 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.038 -10.769 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.961 -9.924 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.504 -9.570 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.780 -8.270 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.079 -8.019 6.097 1.00 0.00 H new ATOM 115 N PHE A 8 5.161 -8.567 4.803 1.00 0.00 N ATOM 116 CA PHE A 8 3.819 -9.111 4.810 1.00 0.00 C ATOM 117 C PHE A 8 3.698 -10.185 3.737 1.00 0.00 C ATOM 118 O PHE A 8 3.642 -9.878 2.546 1.00 0.00 O ATOM 119 CB PHE A 8 2.807 -7.989 4.558 1.00 0.00 C ATOM 120 CG PHE A 8 1.377 -8.371 4.812 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.889 -8.441 6.106 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.518 -8.641 3.758 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.431 -8.769 6.345 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.802 -8.975 3.991 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.277 -9.038 5.286 1.00 0.00 C ATOM 0 H PHE A 8 5.414 -8.078 3.944 1.00 0.00 H new ATOM 0 HA PHE A 8 3.611 -9.559 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.061 -7.139 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.903 -7.656 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.548 -8.237 6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.885 -8.590 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.802 -8.815 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.461 -9.186 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.309 -9.297 5.471 1.00 0.00 H new ATOM 135 N GLU A 9 3.679 -11.442 4.175 1.00 0.00 N ATOM 136 CA GLU A 9 3.513 -12.595 3.289 1.00 0.00 C ATOM 137 C GLU A 9 4.495 -12.566 2.112 1.00 0.00 C ATOM 138 O GLU A 9 4.222 -13.130 1.049 1.00 0.00 O ATOM 139 CB GLU A 9 2.071 -12.667 2.783 1.00 0.00 C ATOM 140 CG GLU A 9 1.047 -12.764 3.905 1.00 0.00 C ATOM 141 CD GLU A 9 1.363 -13.879 4.880 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.241 -15.063 4.498 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.735 -13.580 6.038 1.00 0.00 O ATOM 0 H GLU A 9 3.779 -11.692 5.159 1.00 0.00 H new ATOM 0 HA GLU A 9 3.735 -13.490 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.859 -11.783 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.965 -13.531 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.009 -11.816 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.058 -12.928 3.477 1.00 0.00 H new ATOM 150 N GLY A 10 5.643 -11.925 2.307 1.00 0.00 N ATOM 151 CA GLY A 10 6.646 -11.870 1.262 1.00 0.00 C ATOM 152 C GLY A 10 6.896 -10.466 0.758 1.00 0.00 C ATOM 153 O GLY A 10 7.981 -10.166 0.259 1.00 0.00 O ATOM 0 H GLY A 10 5.896 -11.443 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.580 -12.286 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.330 -12.499 0.429 1.00 0.00 H new ATOM 157 N GLY A 11 5.904 -9.601 0.895 1.00 0.00 N ATOM 158 CA GLY A 11 6.044 -8.239 0.425 1.00 0.00 C ATOM 159 C GLY A 11 6.661 -7.348 1.476 1.00 0.00 C ATOM 160 O GLY A 11 6.271 -7.394 2.641 1.00 0.00 O ATOM 0 H GLY A 11 5.004 -9.817 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.662 -8.225 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.066 -7.848 0.145 1.00 0.00 H new ATOM 164 N THR A 12 7.624 -6.542 1.073 1.00 0.00 N ATOM 165 CA THR A 12 8.336 -5.690 2.007 1.00 0.00 C ATOM 166 C THR A 12 7.741 -4.285 2.047 1.00 0.00 C ATOM 167 O THR A 12 7.614 -3.622 1.020 1.00 0.00 O ATOM 168 CB THR A 12 9.828 -5.605 1.642 1.00 0.00 C ATOM 169 OG1 THR A 12 10.330 -6.918 1.343 1.00 0.00 O ATOM 170 CG2 THR A 12 10.627 -5.003 2.786 1.00 0.00 C ATOM 0 H THR A 12 7.932 -6.459 0.104 1.00 0.00 H new ATOM 0 HA THR A 12 8.233 -6.139 2.995 1.00 0.00 H new ATOM 0 HB THR A 12 9.934 -4.964 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.280 -6.860 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.680 -4.952 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.259 -3.999 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.517 -5.625 3.674 1.00 0.00 H new ATOM 178 N ILE A 13 7.373 -3.849 3.240 1.00 0.00 N ATOM 179 CA ILE A 13 6.832 -2.518 3.441 1.00 0.00 C ATOM 180 C ILE A 13 7.928 -1.581 3.933 1.00 0.00 C ATOM 181 O ILE A 13 8.539 -1.819 4.977 1.00 0.00 O ATOM 182 CB ILE A 13 5.674 -2.531 4.464 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.549 -3.454 3.986 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.145 -1.121 4.695 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.416 -3.602 4.982 1.00 0.00 C ATOM 0 H ILE A 13 7.441 -4.406 4.092 1.00 0.00 H new ATOM 0 HA ILE A 13 6.445 -2.167 2.485 1.00 0.00 H new ATOM 0 HB ILE A 13 6.056 -2.912 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.148 -3.068 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.965 -4.439 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.330 -1.152 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.947 -0.490 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.779 -0.711 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.657 -4.270 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.802 -4.017 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.973 -2.625 5.177 1.00 0.00 H new ATOM 197 N ASP A 14 8.174 -0.538 3.167 1.00 0.00 N ATOM 198 CA ASP A 14 9.183 0.453 3.491 1.00 0.00 C ATOM 199 C ASP A 14 8.511 1.786 3.792 1.00 0.00 C ATOM 200 O ASP A 14 7.978 2.436 2.893 1.00 0.00 O ATOM 201 CB ASP A 14 10.152 0.641 2.317 1.00 0.00 C ATOM 202 CG ASP A 14 10.992 -0.581 2.002 1.00 0.00 C ATOM 203 OD1 ASP A 14 10.466 -1.537 1.388 1.00 0.00 O ATOM 204 OD2 ASP A 14 12.198 -0.575 2.336 1.00 0.00 O ATOM 0 H ASP A 14 7.677 -0.352 2.296 1.00 0.00 H new ATOM 0 HA ASP A 14 9.739 0.106 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.581 0.914 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.816 1.477 2.539 1.00 0.00 H new ATOM 209 N ILE A 15 8.519 2.198 5.046 1.00 0.00 N ATOM 210 CA ILE A 15 7.915 3.471 5.417 1.00 0.00 C ATOM 211 C ILE A 15 9.000 4.463 5.799 1.00 0.00 C ATOM 212 O ILE A 15 9.865 4.160 6.628 1.00 0.00 O ATOM 213 CB ILE A 15 6.919 3.325 6.590 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.901 2.224 6.288 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.213 4.653 6.859 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.892 2.002 7.397 1.00 0.00 C ATOM 0 H ILE A 15 8.932 1.678 5.820 1.00 0.00 H new ATOM 0 HA ILE A 15 7.360 3.832 4.551 1.00 0.00 H new ATOM 0 HB ILE A 15 7.474 3.045 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.369 2.476 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.433 1.291 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.515 4.533 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.952 5.413 7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.668 4.962 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.204 1.207 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.413 1.718 8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.332 2.921 7.569 1.00 0.00 H new ATOM 228 N GLU A 16 8.970 5.633 5.178 1.00 0.00 N ATOM 229 CA GLU A 16 9.968 6.652 5.447 1.00 0.00 C ATOM 230 C GLU A 16 9.317 7.955 5.846 1.00 0.00 C ATOM 231 O GLU A 16 8.380 8.423 5.195 1.00 0.00 O ATOM 232 CB GLU A 16 10.814 6.940 4.222 1.00 0.00 C ATOM 233 CG GLU A 16 12.203 7.441 4.550 1.00 0.00 C ATOM 234 CD GLU A 16 12.989 7.805 3.310 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.635 6.907 2.728 1.00 0.00 O ATOM 236 OE2 GLU A 16 12.966 8.986 2.913 1.00 0.00 O ATOM 0 H GLU A 16 8.268 5.898 4.487 1.00 0.00 H new ATOM 0 HA GLU A 16 10.589 6.264 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.896 6.031 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.305 7.681 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.128 8.313 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.741 6.674 5.107 1.00 0.00 H new ATOM 243 N ASP A 17 9.831 8.520 6.918 1.00 0.00 N ATOM 244 CA ASP A 17 9.566 9.900 7.298 1.00 0.00 C ATOM 245 C ASP A 17 8.074 10.252 7.283 1.00 0.00 C ATOM 246 O ASP A 17 7.690 11.331 6.825 1.00 0.00 O ATOM 247 CB ASP A 17 10.349 10.844 6.382 1.00 0.00 C ATOM 248 CG ASP A 17 10.743 12.130 7.079 1.00 0.00 C ATOM 249 OD1 ASP A 17 11.744 12.120 7.833 1.00 0.00 O ATOM 250 OD2 ASP A 17 10.071 13.159 6.872 1.00 0.00 O ATOM 0 H ASP A 17 10.453 8.031 7.561 1.00 0.00 H new ATOM 0 HA ASP A 17 9.898 10.021 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.246 10.338 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.745 11.079 5.506 1.00 0.00 H new ATOM 255 N ASP A 18 7.245 9.322 7.770 1.00 0.00 N ATOM 256 CA ASP A 18 5.800 9.543 7.960 1.00 0.00 C ATOM 257 C ASP A 18 5.013 9.522 6.649 1.00 0.00 C ATOM 258 O ASP A 18 4.033 8.787 6.516 1.00 0.00 O ATOM 259 CB ASP A 18 5.540 10.868 8.700 1.00 0.00 C ATOM 260 CG ASP A 18 4.087 11.317 8.636 1.00 0.00 C ATOM 261 OD1 ASP A 18 3.278 10.856 9.469 1.00 0.00 O ATOM 262 OD2 ASP A 18 3.752 12.148 7.757 1.00 0.00 O ATOM 0 H ASP A 18 7.555 8.390 8.046 1.00 0.00 H new ATOM 0 HA ASP A 18 5.445 8.709 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.833 10.757 9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.173 11.646 8.272 1.00 0.00 H new ATOM 267 N THR A 19 5.442 10.316 5.688 1.00 0.00 N ATOM 268 CA THR A 19 4.643 10.554 4.497 1.00 0.00 C ATOM 269 C THR A 19 5.024 9.627 3.341 1.00 0.00 C ATOM 270 O THR A 19 4.221 9.395 2.439 1.00 0.00 O ATOM 271 CB THR A 19 4.779 12.012 4.035 1.00 0.00 C ATOM 272 OG1 THR A 19 4.826 12.881 5.176 1.00 0.00 O ATOM 273 CG2 THR A 19 3.609 12.408 3.145 1.00 0.00 C ATOM 0 H THR A 19 6.336 10.807 5.706 1.00 0.00 H new ATOM 0 HA THR A 19 3.610 10.344 4.773 1.00 0.00 H new ATOM 0 HB THR A 19 5.702 12.106 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.284 12.501 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.726 13.445 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.585 11.762 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.677 12.301 3.700 1.00 0.00 H new ATOM 281 N SER A 20 6.233 9.087 3.370 1.00 0.00 N ATOM 282 CA SER A 20 6.728 8.310 2.241 1.00 0.00 C ATOM 283 C SER A 20 6.452 6.817 2.420 1.00 0.00 C ATOM 284 O SER A 20 7.096 6.143 3.224 1.00 0.00 O ATOM 285 CB SER A 20 8.225 8.555 2.056 1.00 0.00 C ATOM 286 OG SER A 20 8.503 9.943 1.955 1.00 0.00 O ATOM 0 H SER A 20 6.883 9.170 4.152 1.00 0.00 H new ATOM 0 HA SER A 20 6.196 8.638 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.774 8.131 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.573 8.044 1.158 1.00 0.00 H new ATOM 0 HG SER A 20 9.467 10.076 1.839 1.00 0.00 H new ATOM 292 N LEU A 21 5.476 6.313 1.675 1.00 0.00 N ATOM 293 CA LEU A 21 5.155 4.891 1.693 1.00 0.00 C ATOM 294 C LEU A 21 5.712 4.215 0.445 1.00 0.00 C ATOM 295 O LEU A 21 5.362 4.575 -0.681 1.00 0.00 O ATOM 296 CB LEU A 21 3.634 4.693 1.760 1.00 0.00 C ATOM 297 CG LEU A 21 3.130 3.369 2.362 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.662 2.159 1.612 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.500 3.282 3.832 1.00 0.00 C ATOM 0 H LEU A 21 4.892 6.869 1.050 1.00 0.00 H new ATOM 0 HA LEU A 21 5.609 4.439 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.210 5.513 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.236 4.779 0.749 1.00 0.00 H new ATOM 0 HG LEU A 21 2.044 3.361 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.280 1.248 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.337 2.204 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.751 2.156 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.137 2.340 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.584 3.330 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.045 4.113 4.371 1.00 0.00 H new ATOM 311 N THR A 22 6.572 3.239 0.653 1.00 0.00 N ATOM 312 CA THR A 22 7.110 2.446 -0.433 1.00 0.00 C ATOM 313 C THR A 22 6.959 0.960 -0.119 1.00 0.00 C ATOM 314 O THR A 22 7.082 0.553 1.026 1.00 0.00 O ATOM 315 CB THR A 22 8.595 2.785 -0.691 1.00 0.00 C ATOM 316 OG1 THR A 22 9.280 3.008 0.551 1.00 0.00 O ATOM 317 CG2 THR A 22 8.735 4.018 -1.572 1.00 0.00 C ATOM 0 H THR A 22 6.916 2.974 1.576 1.00 0.00 H new ATOM 0 HA THR A 22 6.548 2.683 -1.336 1.00 0.00 H new ATOM 0 HB THR A 22 9.042 1.935 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.739 2.659 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.792 4.231 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.249 3.837 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.265 4.871 -1.082 1.00 0.00 H new ATOM 325 N ILE A 23 6.645 0.159 -1.121 1.00 0.00 N ATOM 326 CA ILE A 23 6.555 -1.281 -0.935 1.00 0.00 C ATOM 327 C ILE A 23 7.440 -1.990 -1.948 1.00 0.00 C ATOM 328 O ILE A 23 7.269 -1.817 -3.155 1.00 0.00 O ATOM 329 CB ILE A 23 5.101 -1.801 -1.048 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.255 -1.280 0.119 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.074 -3.326 -1.086 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.812 -1.740 0.082 1.00 0.00 C ATOM 0 H ILE A 23 6.448 0.478 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 23 6.899 -1.500 0.076 1.00 0.00 H new ATOM 0 HB ILE A 23 4.676 -1.428 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.706 -1.605 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.279 -0.190 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.043 -3.670 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.641 -3.679 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.519 -3.721 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.278 -1.331 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.343 -1.392 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.776 -2.829 0.118 1.00 0.00 H new ATOM 344 N ASN A 24 8.404 -2.761 -1.443 1.00 0.00 N ATOM 345 CA ASN A 24 9.354 -3.495 -2.282 1.00 0.00 C ATOM 346 C ASN A 24 10.230 -2.523 -3.085 1.00 0.00 C ATOM 347 O ASN A 24 10.948 -2.918 -4.004 1.00 0.00 O ATOM 348 CB ASN A 24 8.605 -4.455 -3.220 1.00 0.00 C ATOM 349 CG ASN A 24 9.493 -5.541 -3.804 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.478 -5.987 -3.038 1.00 0.00 O flip ATOM 351 ND2 ASN A 24 9.281 -5.993 -4.931 1.00 0.00 N flip ATOM 0 H ASN A 24 8.549 -2.895 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 24 10.006 -4.083 -1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.786 -4.921 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.160 -3.883 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.513 -5.625 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.874 -6.735 -5.303 1.00 0.00 H new ATOM 358 N GLY A 25 10.180 -1.250 -2.713 1.00 0.00 N ATOM 359 CA GLY A 25 10.982 -0.252 -3.382 1.00 0.00 C ATOM 360 C GLY A 25 10.151 0.819 -4.064 1.00 0.00 C ATOM 361 O GLY A 25 10.542 1.982 -4.091 1.00 0.00 O ATOM 0 H GLY A 25 9.595 -0.893 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.646 0.218 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.615 -0.740 -4.123 1.00 0.00 H new ATOM 365 N LYS A 26 8.998 0.436 -4.604 1.00 0.00 N ATOM 366 CA LYS A 26 8.165 1.371 -5.359 1.00 0.00 C ATOM 367 C LYS A 26 7.215 2.137 -4.441 1.00 0.00 C ATOM 368 O LYS A 26 6.770 1.619 -3.417 1.00 0.00 O ATOM 369 CB LYS A 26 7.396 0.640 -6.477 1.00 0.00 C ATOM 370 CG LYS A 26 6.637 -0.605 -6.032 1.00 0.00 C ATOM 371 CD LYS A 26 5.305 -0.291 -5.353 1.00 0.00 C ATOM 372 CE LYS A 26 4.205 0.049 -6.351 1.00 0.00 C ATOM 373 NZ LYS A 26 4.419 1.354 -7.030 1.00 0.00 N ATOM 0 H LYS A 26 8.619 -0.509 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 26 8.824 2.102 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.688 1.337 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.102 0.357 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.454 -1.240 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.261 -1.176 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.995 -1.148 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.439 0.545 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.147 -0.739 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.246 0.068 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.505 1.734 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.859 2.023 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.043 1.220 -7.851 1.00 0.00 H new ATOM 387 N GLU A 27 6.921 3.375 -4.815 1.00 0.00 N ATOM 388 CA GLU A 27 6.031 4.236 -4.040 1.00 0.00 C ATOM 389 C GLU A 27 4.590 3.744 -4.111 1.00 0.00 C ATOM 390 O GLU A 27 4.155 3.217 -5.136 1.00 0.00 O ATOM 391 CB GLU A 27 6.103 5.681 -4.546 1.00 0.00 C ATOM 392 CG GLU A 27 5.733 5.834 -6.011 1.00 0.00 C ATOM 393 CD GLU A 27 5.617 7.283 -6.434 1.00 0.00 C ATOM 394 OE1 GLU A 27 6.613 8.027 -6.297 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.534 7.681 -6.917 1.00 0.00 O ATOM 0 H GLU A 27 7.290 3.811 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 27 6.362 4.201 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.437 6.300 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.114 6.060 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.485 5.339 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.786 5.328 -6.197 1.00 0.00 H new ATOM 402 N ILE A 28 3.867 3.893 -3.015 1.00 0.00 N ATOM 403 CA ILE A 28 2.451 3.565 -2.983 1.00 0.00 C ATOM 404 C ILE A 28 1.623 4.838 -3.101 1.00 0.00 C ATOM 405 O ILE A 28 1.951 5.854 -2.495 1.00 0.00 O ATOM 406 CB ILE A 28 2.074 2.794 -1.692 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.772 1.429 -1.686 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.563 2.621 -1.578 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.412 0.552 -2.874 1.00 0.00 C ATOM 0 H ILE A 28 4.239 4.241 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 28 2.235 2.914 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 28 2.408 3.372 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.851 1.583 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.514 0.903 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.327 2.077 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.086 3.601 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.195 2.062 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.944 -0.396 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.338 0.366 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.695 1.056 -3.798 1.00 0.00 H new ATOM 421 N SER A 29 0.584 4.790 -3.919 1.00 0.00 N ATOM 422 CA SER A 29 -0.301 5.928 -4.100 1.00 0.00 C ATOM 423 C SER A 29 -1.554 5.774 -3.238 1.00 0.00 C ATOM 424 O SER A 29 -2.172 4.712 -3.208 1.00 0.00 O ATOM 425 CB SER A 29 -0.666 6.060 -5.571 1.00 0.00 C ATOM 426 OG SER A 29 0.505 6.032 -6.369 1.00 0.00 O ATOM 0 H SER A 29 0.332 3.970 -4.471 1.00 0.00 H new ATOM 0 HA SER A 29 0.212 6.836 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.333 5.249 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.206 6.992 -5.737 1.00 0.00 H new ATOM 0 HG SER A 29 0.259 6.116 -7.314 1.00 0.00 H new ATOM 432 N TYR A 30 -1.912 6.838 -2.531 1.00 0.00 N ATOM 433 CA TYR A 30 -3.028 6.805 -1.590 1.00 0.00 C ATOM 434 C TYR A 30 -3.966 7.970 -1.826 1.00 0.00 C ATOM 435 O TYR A 30 -3.586 8.971 -2.437 1.00 0.00 O ATOM 436 CB TYR A 30 -2.521 6.881 -0.141 1.00 0.00 C ATOM 437 CG TYR A 30 -1.028 7.080 -0.028 1.00 0.00 C ATOM 438 CD1 TYR A 30 -0.454 8.329 -0.230 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.196 6.014 0.273 1.00 0.00 C ATOM 440 CE1 TYR A 30 0.910 8.508 -0.140 1.00 0.00 C ATOM 441 CE2 TYR A 30 1.166 6.185 0.370 1.00 0.00 C ATOM 442 CZ TYR A 30 1.717 7.431 0.162 1.00 0.00 C ATOM 443 OH TYR A 30 3.079 7.592 0.236 1.00 0.00 O ATOM 0 H TYR A 30 -1.443 7.742 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.558 5.866 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.027 7.701 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.796 5.964 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.087 9.173 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.622 5.035 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.343 9.484 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.801 5.345 0.609 1.00 0.00 H new ATOM 0 HH TYR A 30 3.299 8.177 0.991 1.00 0.00 H new ATOM 453 N VAL A 31 -5.188 7.833 -1.338 1.00 0.00 N ATOM 454 CA VAL A 31 -6.110 8.952 -1.276 1.00 0.00 C ATOM 455 C VAL A 31 -5.717 9.856 -0.099 1.00 0.00 C ATOM 456 O VAL A 31 -6.203 9.718 1.026 1.00 0.00 O ATOM 457 CB VAL A 31 -7.584 8.477 -1.171 1.00 0.00 C ATOM 458 CG1 VAL A 31 -7.766 7.470 -0.041 1.00 0.00 C ATOM 459 CG2 VAL A 31 -8.528 9.660 -0.995 1.00 0.00 C ATOM 0 H VAL A 31 -5.564 6.955 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.042 9.523 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.834 7.977 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.810 7.158 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.135 6.600 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.484 7.930 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.554 9.299 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.269 10.200 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.437 10.329 -1.851 1.00 0.00 H new ATOM 469 N HIS A 32 -4.776 10.745 -0.362 1.00 0.00 N ATOM 470 CA HIS A 32 -4.177 11.556 0.683 1.00 0.00 C ATOM 471 C HIS A 32 -4.648 13.000 0.590 1.00 0.00 C ATOM 472 O HIS A 32 -5.087 13.442 -0.471 1.00 0.00 O ATOM 473 CB HIS A 32 -2.654 11.508 0.566 1.00 0.00 C ATOM 474 CG HIS A 32 -1.970 11.123 1.835 1.00 0.00 C ATOM 475 ND1 HIS A 32 -1.218 11.999 2.588 1.00 0.00 N ATOM 476 CD2 HIS A 32 -1.918 9.936 2.478 1.00 0.00 C ATOM 477 CE1 HIS A 32 -0.731 11.366 3.637 1.00 0.00 C ATOM 478 NE2 HIS A 32 -1.138 10.111 3.596 1.00 0.00 N ATOM 0 H HIS A 32 -4.408 10.924 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.486 11.152 1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.380 10.798 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.291 12.486 0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.400 9.020 2.171 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.104 11.801 4.401 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.911 9.390 4.281 1.00 0.00 H new ATOM 487 N ASP A 33 -4.554 13.720 1.708 1.00 0.00 N ATOM 488 CA ASP A 33 -4.880 15.149 1.762 1.00 0.00 C ATOM 489 C ASP A 33 -6.366 15.380 1.457 1.00 0.00 C ATOM 490 O ASP A 33 -7.143 14.433 1.335 1.00 0.00 O ATOM 491 CB ASP A 33 -3.993 15.934 0.780 1.00 0.00 C ATOM 492 CG ASP A 33 -3.951 17.428 1.059 1.00 0.00 C ATOM 493 OD1 ASP A 33 -3.081 17.865 1.839 1.00 0.00 O ATOM 494 OD2 ASP A 33 -4.784 18.173 0.496 1.00 0.00 O ATOM 0 H ASP A 33 -4.251 13.332 2.601 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.684 15.511 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.979 15.536 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.357 15.772 -0.235 1.00 0.00 H new ATOM 499 N ALA A 34 -6.761 16.640 1.350 1.00 0.00 N ATOM 500 CA ALA A 34 -8.135 16.993 1.028 1.00 0.00 C ATOM 501 C ALA A 34 -8.231 17.483 -0.411 1.00 0.00 C ATOM 502 O ALA A 34 -9.260 17.330 -1.065 1.00 0.00 O ATOM 503 CB ALA A 34 -8.652 18.054 1.989 1.00 0.00 C ATOM 0 H ALA A 34 -6.143 17.441 1.483 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.756 16.103 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.681 18.306 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.615 17.670 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.031 18.946 1.914 1.00 0.00 H new ATOM 509 N VAL A 35 -7.148 18.073 -0.902 1.00 0.00 N ATOM 510 CA VAL A 35 -7.103 18.564 -2.272 1.00 0.00 C ATOM 511 C VAL A 35 -6.744 17.422 -3.215 1.00 0.00 C ATOM 512 O VAL A 35 -7.220 17.350 -4.349 1.00 0.00 O ATOM 513 CB VAL A 35 -6.071 19.705 -2.423 1.00 0.00 C ATOM 514 CG1 VAL A 35 -6.067 20.261 -3.838 1.00 0.00 C ATOM 515 CG2 VAL A 35 -6.347 20.813 -1.418 1.00 0.00 C ATOM 0 H VAL A 35 -6.290 18.223 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.087 18.957 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.084 19.290 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.331 21.062 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.812 19.467 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.055 20.653 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.610 21.607 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.346 21.216 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.283 20.411 -0.407 1.00 0.00 H new ATOM 525 N LYS A 36 -5.913 16.519 -2.718 1.00 0.00 N ATOM 526 CA LYS A 36 -5.477 15.364 -3.486 1.00 0.00 C ATOM 527 C LYS A 36 -6.443 14.202 -3.277 1.00 0.00 C ATOM 528 O LYS A 36 -6.227 13.098 -3.778 1.00 0.00 O ATOM 529 CB LYS A 36 -4.066 14.958 -3.058 1.00 0.00 C ATOM 530 CG LYS A 36 -3.053 16.090 -3.133 1.00 0.00 C ATOM 531 CD LYS A 36 -1.715 15.672 -2.552 1.00 0.00 C ATOM 532 CE LYS A 36 -0.703 16.806 -2.598 1.00 0.00 C ATOM 533 NZ LYS A 36 -0.370 17.209 -3.990 1.00 0.00 N ATOM 0 H LYS A 36 -5.524 16.566 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.465 15.625 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.101 14.581 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.727 14.137 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.922 16.395 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.432 16.957 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.852 15.348 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.329 14.817 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.099 17.666 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.207 16.499 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.430 17.874 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.111 16.367 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.195 17.669 -4.425 1.00 0.00 H new ATOM 547 N ASN A 37 -7.513 14.471 -2.539 1.00 0.00 N ATOM 548 CA ASN A 37 -8.502 13.456 -2.204 1.00 0.00 C ATOM 549 C ASN A 37 -9.218 12.952 -3.453 1.00 0.00 C ATOM 550 O ASN A 37 -9.989 13.683 -4.081 1.00 0.00 O ATOM 551 CB ASN A 37 -9.522 14.018 -1.208 1.00 0.00 C ATOM 552 CG ASN A 37 -10.603 13.015 -0.840 1.00 0.00 C ATOM 553 OD1 ASN A 37 -10.445 12.232 0.094 1.00 0.00 O ATOM 554 ND2 ASN A 37 -11.714 13.041 -1.561 1.00 0.00 N ATOM 0 H ASN A 37 -7.718 15.395 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.980 12.616 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.003 14.334 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.988 14.906 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.475 12.396 -1.348 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.808 13.706 -2.329 1.00 0.00 H new ATOM 561 N LYS A 38 -8.939 11.710 -3.818 1.00 0.00 N ATOM 562 CA LYS A 38 -9.614 11.064 -4.931 1.00 0.00 C ATOM 563 C LYS A 38 -10.648 10.089 -4.376 1.00 0.00 C ATOM 564 O LYS A 38 -10.991 10.170 -3.198 1.00 0.00 O ATOM 565 CB LYS A 38 -8.594 10.338 -5.810 1.00 0.00 C ATOM 566 CG LYS A 38 -8.917 10.391 -7.295 1.00 0.00 C ATOM 567 CD LYS A 38 -8.974 11.828 -7.797 1.00 0.00 C ATOM 568 CE LYS A 38 -9.276 11.889 -9.282 1.00 0.00 C ATOM 569 NZ LYS A 38 -9.341 13.287 -9.783 1.00 0.00 N ATOM 0 H LYS A 38 -8.243 11.126 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.118 11.808 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.609 10.776 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.535 9.295 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.162 9.838 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.873 9.901 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.739 12.376 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.023 12.322 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.508 11.343 -9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.224 11.389 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.549 13.281 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.091 13.802 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.428 13.757 -9.619 1.00 0.00 H new ATOM 583 N TRP A 39 -11.159 9.181 -5.198 1.00 0.00 N ATOM 584 CA TRP A 39 -12.137 8.218 -4.705 1.00 0.00 C ATOM 585 C TRP A 39 -11.461 7.172 -3.821 1.00 0.00 C ATOM 586 O TRP A 39 -11.943 6.867 -2.730 1.00 0.00 O ATOM 587 CB TRP A 39 -12.926 7.562 -5.855 1.00 0.00 C ATOM 588 CG TRP A 39 -12.105 6.775 -6.844 1.00 0.00 C ATOM 589 CD1 TRP A 39 -11.784 5.448 -6.770 1.00 0.00 C ATOM 590 CD2 TRP A 39 -11.531 7.255 -8.064 1.00 0.00 C ATOM 591 NE1 TRP A 39 -11.031 5.082 -7.858 1.00 0.00 N ATOM 592 CE2 TRP A 39 -10.862 6.172 -8.668 1.00 0.00 C ATOM 593 CE3 TRP A 39 -11.510 8.498 -8.703 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -10.183 6.295 -9.878 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -10.837 8.618 -9.905 1.00 0.00 C ATOM 596 CH2 TRP A 39 -10.183 7.523 -10.482 1.00 0.00 C ATOM 0 H TRP A 39 -10.921 9.090 -6.186 1.00 0.00 H new ATOM 0 HA TRP A 39 -12.861 8.760 -4.097 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -13.677 6.899 -5.425 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -13.462 8.342 -6.395 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -12.080 4.784 -5.971 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.658 4.149 -8.034 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -12.010 9.349 -8.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -9.675 5.452 -10.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -10.816 9.574 -10.408 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -9.668 7.650 -11.423 1.00 0.00 H new ATOM 607 N SER A 40 -10.336 6.648 -4.286 1.00 0.00 N ATOM 608 CA SER A 40 -9.565 5.661 -3.544 1.00 0.00 C ATOM 609 C SER A 40 -8.168 5.552 -4.139 1.00 0.00 C ATOM 610 O SER A 40 -7.851 6.231 -5.116 1.00 0.00 O ATOM 611 CB SER A 40 -10.244 4.289 -3.580 1.00 0.00 C ATOM 612 OG SER A 40 -11.502 4.304 -2.922 1.00 0.00 O ATOM 0 H SER A 40 -9.932 6.895 -5.189 1.00 0.00 H new ATOM 0 HA SER A 40 -9.503 5.986 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.380 3.978 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.596 3.551 -3.108 1.00 0.00 H new ATOM 0 HG SER A 40 -11.614 5.156 -2.451 1.00 0.00 H new ATOM 618 N SER A 41 -7.340 4.709 -3.542 1.00 0.00 N ATOM 619 CA SER A 41 -6.013 4.441 -4.045 1.00 0.00 C ATOM 620 C SER A 41 -6.094 3.565 -5.299 1.00 0.00 C ATOM 621 O SER A 41 -6.830 2.574 -5.321 1.00 0.00 O ATOM 622 CB SER A 41 -5.226 3.745 -2.942 1.00 0.00 C ATOM 623 OG SER A 41 -5.478 4.359 -1.684 1.00 0.00 O ATOM 0 H SER A 41 -7.575 4.193 -2.694 1.00 0.00 H new ATOM 0 HA SER A 41 -5.513 5.368 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.502 2.691 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.160 3.787 -3.166 1.00 0.00 H new ATOM 0 HG SER A 41 -6.272 3.955 -1.276 1.00 0.00 H new ATOM 629 N ARG A 42 -5.352 3.934 -6.341 1.00 0.00 N ATOM 630 CA ARG A 42 -5.422 3.226 -7.622 1.00 0.00 C ATOM 631 C ARG A 42 -4.648 1.923 -7.577 1.00 0.00 C ATOM 632 O ARG A 42 -3.563 1.800 -8.144 1.00 0.00 O ATOM 633 CB ARG A 42 -4.900 4.088 -8.764 1.00 0.00 C ATOM 634 CG ARG A 42 -5.605 5.417 -8.874 1.00 0.00 C ATOM 635 CD ARG A 42 -5.031 6.241 -10.014 1.00 0.00 C ATOM 636 NE ARG A 42 -5.434 7.645 -9.961 1.00 0.00 N ATOM 637 CZ ARG A 42 -5.507 8.439 -11.028 1.00 0.00 C ATOM 638 NH1 ARG A 42 -5.308 7.947 -12.247 1.00 0.00 N ATOM 639 NH2 ARG A 42 -5.788 9.727 -10.874 1.00 0.00 N ATOM 0 H ARG A 42 -4.697 4.716 -6.326 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.474 3.004 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.833 4.260 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.013 3.545 -9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.671 5.256 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.505 5.965 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.943 6.179 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.352 5.812 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.674 8.041 -9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.098 6.956 -12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.365 8.560 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.947 10.106 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.845 10.338 -11.689 1.00 0.00 H new ATOM 653 N TYR A 43 -5.207 0.971 -6.867 1.00 0.00 N ATOM 654 CA TYR A 43 -4.638 -0.365 -6.775 1.00 0.00 C ATOM 655 C TYR A 43 -5.751 -1.400 -6.734 1.00 0.00 C ATOM 656 O TYR A 43 -5.893 -2.218 -7.641 1.00 0.00 O ATOM 657 CB TYR A 43 -3.749 -0.498 -5.533 1.00 0.00 C ATOM 658 CG TYR A 43 -2.478 0.316 -5.604 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.375 -0.145 -6.310 1.00 0.00 C ATOM 660 CD2 TYR A 43 -2.383 1.549 -4.973 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.216 0.602 -6.389 1.00 0.00 C ATOM 662 CE2 TYR A 43 -1.227 2.300 -5.048 1.00 0.00 C ATOM 663 CZ TYR A 43 -0.147 1.822 -5.756 1.00 0.00 C ATOM 664 OH TYR A 43 1.006 2.573 -5.829 1.00 0.00 O ATOM 0 H TYR A 43 -6.068 1.095 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.020 -0.537 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -4.318 -0.191 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.490 -1.548 -5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.424 -1.103 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.227 1.927 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.632 0.230 -6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.170 3.258 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 43 0.847 3.363 -6.386 1.00 0.00 H new ATOM 674 N LEU A 44 -6.550 -1.343 -5.679 1.00 0.00 N ATOM 675 CA LEU A 44 -7.676 -2.246 -5.516 1.00 0.00 C ATOM 676 C LEU A 44 -8.969 -1.530 -5.899 1.00 0.00 C ATOM 677 O LEU A 44 -8.990 -0.299 -5.977 1.00 0.00 O ATOM 678 CB LEU A 44 -7.755 -2.757 -4.066 1.00 0.00 C ATOM 679 CG LEU A 44 -6.665 -3.755 -3.641 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.314 -3.071 -3.487 1.00 0.00 C ATOM 681 CD2 LEU A 44 -7.057 -4.444 -2.345 1.00 0.00 C ATOM 0 H LEU A 44 -6.436 -0.674 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.537 -3.105 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.714 -1.898 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.727 -3.228 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.573 -4.504 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.567 -3.805 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.022 -2.625 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.385 -2.293 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.276 -5.148 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.182 -3.698 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.995 -4.981 -2.488 1.00 0.00 H new ATOM 693 N PRO A 45 -10.054 -2.282 -6.164 1.00 0.00 N ATOM 694 CA PRO A 45 -11.360 -1.697 -6.493 1.00 0.00 C ATOM 695 C PRO A 45 -11.992 -0.980 -5.302 1.00 0.00 C ATOM 696 O PRO A 45 -12.804 -1.559 -4.571 1.00 0.00 O ATOM 697 CB PRO A 45 -12.204 -2.904 -6.908 1.00 0.00 C ATOM 698 CG PRO A 45 -11.557 -4.069 -6.243 1.00 0.00 C ATOM 699 CD PRO A 45 -10.090 -3.756 -6.188 1.00 0.00 C ATOM 0 HA PRO A 45 -11.279 -0.936 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.240 -2.791 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.217 -3.024 -7.991 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.961 -4.220 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.739 -4.987 -6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.621 -4.184 -5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.561 -4.157 -7.053 1.00 0.00 H new ATOM 707 N TYR A 46 -11.572 0.271 -5.109 1.00 0.00 N ATOM 708 CA TYR A 46 -12.037 1.137 -4.026 1.00 0.00 C ATOM 709 C TYR A 46 -11.490 0.650 -2.697 1.00 0.00 C ATOM 710 O TYR A 46 -10.591 1.265 -2.120 1.00 0.00 O ATOM 711 CB TYR A 46 -13.568 1.210 -3.971 1.00 0.00 C ATOM 712 CG TYR A 46 -14.213 1.793 -5.208 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.330 3.166 -5.373 1.00 0.00 C ATOM 714 CD2 TYR A 46 -14.712 0.967 -6.208 1.00 0.00 C ATOM 715 CE1 TYR A 46 -14.926 3.699 -6.499 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.311 1.494 -7.335 1.00 0.00 C ATOM 717 CZ TYR A 46 -15.415 2.859 -7.475 1.00 0.00 C ATOM 718 OH TYR A 46 -16.014 3.389 -8.594 1.00 0.00 O ATOM 0 H TYR A 46 -10.884 0.719 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.666 2.142 -4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.961 0.206 -3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -13.860 1.809 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.949 3.828 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.630 -0.105 -6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.008 4.770 -6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.696 0.839 -8.102 1.00 0.00 H new ATOM 0 HH TYR A 46 -16.303 2.663 -9.185 1.00 0.00 H new ATOM 728 N THR A 47 -12.005 -0.499 -2.283 1.00 0.00 N ATOM 729 CA THR A 47 -11.725 -1.138 -0.999 1.00 0.00 C ATOM 730 C THR A 47 -11.945 -0.223 0.214 1.00 0.00 C ATOM 731 O THR A 47 -11.661 0.975 0.190 1.00 0.00 O ATOM 732 CB THR A 47 -10.328 -1.787 -0.966 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.369 -0.998 -1.681 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.379 -3.189 -1.555 1.00 0.00 C ATOM 0 H THR A 47 -12.657 -1.036 -2.855 1.00 0.00 H new ATOM 0 HA THR A 47 -12.467 -1.932 -0.912 1.00 0.00 H new ATOM 0 HB THR A 47 -10.017 -1.845 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.562 -0.047 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.384 -3.633 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.068 -3.802 -0.975 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.721 -3.137 -2.589 1.00 0.00 H new ATOM 742 N GLN A 48 -12.474 -0.800 1.281 1.00 0.00 N ATOM 743 CA GLN A 48 -12.752 -0.051 2.493 1.00 0.00 C ATOM 744 C GLN A 48 -11.603 -0.184 3.487 1.00 0.00 C ATOM 745 O GLN A 48 -11.418 -1.230 4.112 1.00 0.00 O ATOM 746 CB GLN A 48 -14.063 -0.518 3.128 1.00 0.00 C ATOM 747 CG GLN A 48 -14.364 0.152 4.458 1.00 0.00 C ATOM 748 CD GLN A 48 -15.719 -0.225 5.018 1.00 0.00 C ATOM 749 OE1 GLN A 48 -16.242 -1.308 4.753 1.00 0.00 O ATOM 750 NE2 GLN A 48 -16.296 0.672 5.801 1.00 0.00 N ATOM 0 H GLN A 48 -12.720 -1.789 1.331 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.854 1.001 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.883 -0.321 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.022 -1.597 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.592 -0.119 5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.317 1.234 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.827 1.557 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.210 0.479 6.211 1.00 0.00 H new ATOM 759 N TYR A 49 -10.835 0.883 3.618 1.00 0.00 N ATOM 760 CA TYR A 49 -9.716 0.923 4.544 1.00 0.00 C ATOM 761 C TYR A 49 -9.694 2.251 5.285 1.00 0.00 C ATOM 762 O TYR A 49 -10.032 3.292 4.719 1.00 0.00 O ATOM 763 CB TYR A 49 -8.385 0.698 3.811 1.00 0.00 C ATOM 764 CG TYR A 49 -8.315 1.333 2.437 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.377 2.713 2.268 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.189 0.541 1.306 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.320 3.281 1.009 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.127 1.101 0.047 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.194 2.468 -0.097 1.00 0.00 C ATOM 770 OH TYR A 49 -8.146 3.021 -1.356 1.00 0.00 O ATOM 0 H TYR A 49 -10.968 1.744 3.088 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.844 0.117 5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.575 1.094 4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.215 -0.374 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.471 3.351 3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.139 -0.533 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.374 4.353 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.026 0.469 -0.823 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.055 2.309 -2.023 1.00 0.00 H new ATOM 780 N ASP A 50 -9.319 2.210 6.551 1.00 0.00 N ATOM 781 CA ASP A 50 -9.270 3.411 7.370 1.00 0.00 C ATOM 782 C ASP A 50 -7.893 3.573 8.011 1.00 0.00 C ATOM 783 O ASP A 50 -7.576 4.614 8.587 1.00 0.00 O ATOM 784 CB ASP A 50 -10.360 3.355 8.441 1.00 0.00 C ATOM 785 CG ASP A 50 -10.501 4.661 9.189 1.00 0.00 C ATOM 786 OD1 ASP A 50 -11.062 5.619 8.619 1.00 0.00 O ATOM 787 OD2 ASP A 50 -10.064 4.737 10.355 1.00 0.00 O ATOM 0 H ASP A 50 -9.043 1.356 7.037 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.447 4.277 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.312 3.103 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.130 2.558 9.148 1.00 0.00 H new ATOM 792 N SER A 51 -7.076 2.535 7.911 1.00 0.00 N ATOM 793 CA SER A 51 -5.718 2.589 8.417 1.00 0.00 C ATOM 794 C SER A 51 -4.725 2.548 7.263 1.00 0.00 C ATOM 795 O SER A 51 -4.908 1.798 6.301 1.00 0.00 O ATOM 796 CB SER A 51 -5.459 1.426 9.377 1.00 0.00 C ATOM 797 OG SER A 51 -4.118 1.425 9.835 1.00 0.00 O ATOM 0 H SER A 51 -7.333 1.645 7.483 1.00 0.00 H new ATOM 0 HA SER A 51 -5.587 3.524 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.136 1.497 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.675 0.483 8.875 1.00 0.00 H new ATOM 0 HG SER A 51 -3.982 0.672 10.448 1.00 0.00 H new ATOM 803 N LEU A 52 -3.685 3.365 7.361 1.00 0.00 N ATOM 804 CA LEU A 52 -2.626 3.396 6.361 1.00 0.00 C ATOM 805 C LEU A 52 -1.884 2.063 6.348 1.00 0.00 C ATOM 806 O LEU A 52 -1.564 1.527 5.285 1.00 0.00 O ATOM 807 CB LEU A 52 -1.672 4.565 6.658 1.00 0.00 C ATOM 808 CG LEU A 52 -0.578 4.832 5.617 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.150 6.290 5.672 1.00 0.00 C ATOM 810 CD2 LEU A 52 0.628 3.937 5.854 1.00 0.00 C ATOM 0 H LEU A 52 -3.552 4.021 8.131 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.057 3.549 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.267 5.472 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.192 4.379 7.619 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.987 4.610 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.627 6.469 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.008 6.929 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.238 6.518 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.389 4.146 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.035 4.130 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.325 2.892 5.783 1.00 0.00 H new ATOM 822 N LEU A 53 -1.640 1.522 7.537 1.00 0.00 N ATOM 823 CA LEU A 53 -0.978 0.237 7.669 1.00 0.00 C ATOM 824 C LEU A 53 -1.849 -0.872 7.097 1.00 0.00 C ATOM 825 O LEU A 53 -1.359 -1.787 6.431 1.00 0.00 O ATOM 826 CB LEU A 53 -0.669 -0.042 9.138 1.00 0.00 C ATOM 827 CG LEU A 53 0.796 0.125 9.544 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.674 -0.840 8.765 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.256 1.559 9.330 1.00 0.00 C ATOM 0 H LEU A 53 -1.893 1.958 8.424 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.044 0.267 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.276 0.623 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.979 -1.061 9.370 1.00 0.00 H new ATOM 0 HG LEU A 53 0.886 -0.104 10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.714 -0.709 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.363 -1.864 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.576 -0.640 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.301 1.654 9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.151 1.821 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.646 2.231 9.934 1.00 0.00 H new ATOM 841 N ASP A 54 -3.146 -0.772 7.354 1.00 0.00 N ATOM 842 CA ASP A 54 -4.109 -1.741 6.843 1.00 0.00 C ATOM 843 C ASP A 54 -4.167 -1.679 5.325 1.00 0.00 C ATOM 844 O ASP A 54 -4.209 -2.708 4.651 1.00 0.00 O ATOM 845 CB ASP A 54 -5.492 -1.464 7.428 1.00 0.00 C ATOM 846 CG ASP A 54 -6.516 -2.508 7.030 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.326 -3.690 7.370 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.532 -2.142 6.402 1.00 0.00 O ATOM 0 H ASP A 54 -3.558 -0.027 7.916 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.790 -2.739 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.421 -1.427 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.832 -0.483 7.097 1.00 0.00 H new ATOM 853 N LEU A 55 -4.148 -0.459 4.803 1.00 0.00 N ATOM 854 CA LEU A 55 -4.169 -0.216 3.366 1.00 0.00 C ATOM 855 C LEU A 55 -2.988 -0.919 2.692 1.00 0.00 C ATOM 856 O LEU A 55 -3.163 -1.664 1.727 1.00 0.00 O ATOM 857 CB LEU A 55 -4.124 1.304 3.117 1.00 0.00 C ATOM 858 CG LEU A 55 -4.501 1.791 1.710 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.773 3.286 1.734 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.401 1.486 0.704 1.00 0.00 C ATOM 0 H LEU A 55 -4.118 0.392 5.365 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.085 -0.621 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.792 1.784 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.116 1.654 3.338 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.401 1.259 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.040 3.623 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.595 3.495 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.879 3.813 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.700 1.844 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.481 1.986 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.233 0.410 0.664 1.00 0.00 H new ATOM 872 N ALA A 56 -1.792 -0.692 3.227 1.00 0.00 N ATOM 873 CA ALA A 56 -0.571 -1.261 2.667 1.00 0.00 C ATOM 874 C ALA A 56 -0.618 -2.788 2.647 1.00 0.00 C ATOM 875 O ALA A 56 -0.264 -3.417 1.648 1.00 0.00 O ATOM 876 CB ALA A 56 0.640 -0.781 3.452 1.00 0.00 C ATOM 0 H ALA A 56 -1.642 -0.114 4.054 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.488 -0.919 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.545 -1.212 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.698 0.306 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.546 -1.092 4.492 1.00 0.00 H new ATOM 882 N ARG A 57 -1.062 -3.378 3.751 1.00 0.00 N ATOM 883 CA ARG A 57 -1.124 -4.833 3.866 1.00 0.00 C ATOM 884 C ARG A 57 -2.205 -5.410 2.958 1.00 0.00 C ATOM 885 O ARG A 57 -2.052 -6.507 2.419 1.00 0.00 O ATOM 886 CB ARG A 57 -1.367 -5.244 5.322 1.00 0.00 C ATOM 887 CG ARG A 57 -0.214 -4.877 6.248 1.00 0.00 C ATOM 888 CD ARG A 57 -0.519 -5.226 7.694 1.00 0.00 C ATOM 889 NE ARG A 57 0.594 -4.901 8.582 1.00 0.00 N ATOM 890 CZ ARG A 57 0.454 -4.579 9.864 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.756 -4.511 10.408 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.525 -4.323 10.599 1.00 0.00 N ATOM 0 H ARG A 57 -1.384 -2.874 4.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.165 -5.239 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.279 -4.767 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.532 -6.320 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.688 -5.400 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.009 -3.810 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.410 -4.687 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.745 -6.290 7.770 1.00 0.00 H new ATOM 0 HE ARG A 57 1.537 -4.922 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.582 -4.706 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.860 -4.264 11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.454 -4.373 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.421 -4.076 11.583 1.00 0.00 H new ATOM 906 N ALA A 58 -3.281 -4.660 2.767 1.00 0.00 N ATOM 907 CA ALA A 58 -4.369 -5.101 1.905 1.00 0.00 C ATOM 908 C ALA A 58 -3.896 -5.223 0.465 1.00 0.00 C ATOM 909 O ALA A 58 -4.279 -6.150 -0.242 1.00 0.00 O ATOM 910 CB ALA A 58 -5.543 -4.145 2.002 1.00 0.00 C ATOM 0 H ALA A 58 -3.424 -3.746 3.196 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.697 -6.085 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.347 -4.489 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.899 -4.109 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.227 -3.149 1.692 1.00 0.00 H new ATOM 916 N ILE A 59 -3.044 -4.294 0.043 1.00 0.00 N ATOM 917 CA ILE A 59 -2.498 -4.331 -1.306 1.00 0.00 C ATOM 918 C ILE A 59 -1.671 -5.593 -1.509 1.00 0.00 C ATOM 919 O ILE A 59 -1.908 -6.350 -2.446 1.00 0.00 O ATOM 920 CB ILE A 59 -1.611 -3.098 -1.602 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.414 -1.806 -1.429 1.00 0.00 C ATOM 922 CG2 ILE A 59 -1.034 -3.184 -3.012 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.600 -0.553 -1.667 1.00 0.00 C ATOM 0 H ILE A 59 -2.720 -3.512 0.612 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.344 -4.323 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.785 -3.087 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.258 -1.817 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.826 -1.776 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.413 -2.309 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.429 -4.086 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.848 -3.218 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.232 0.324 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.771 -0.518 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.210 -0.560 -2.685 1.00 0.00 H new ATOM 935 N ILE A 60 -0.741 -5.842 -0.594 1.00 0.00 N ATOM 936 CA ILE A 60 0.159 -6.992 -0.698 1.00 0.00 C ATOM 937 C ILE A 60 -0.623 -8.306 -0.708 1.00 0.00 C ATOM 938 O ILE A 60 -0.278 -9.246 -1.429 1.00 0.00 O ATOM 939 CB ILE A 60 1.197 -7.008 0.447 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.985 -5.699 0.452 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.140 -8.197 0.292 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.976 -5.593 1.584 1.00 0.00 C ATOM 0 H ILE A 60 -0.588 -5.263 0.232 1.00 0.00 H new ATOM 0 HA ILE A 60 0.693 -6.893 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 60 0.673 -7.107 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.516 -5.601 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.286 -4.865 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.865 -8.195 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.566 -9.123 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.664 -8.124 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.498 -4.638 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.449 -5.658 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.698 -6.406 1.513 1.00 0.00 H new ATOM 954 N ARG A 61 -1.671 -8.364 0.102 1.00 0.00 N ATOM 955 CA ARG A 61 -2.509 -9.551 0.199 1.00 0.00 C ATOM 956 C ARG A 61 -3.215 -9.851 -1.126 1.00 0.00 C ATOM 957 O ARG A 61 -3.277 -11.002 -1.563 1.00 0.00 O ATOM 958 CB ARG A 61 -3.557 -9.355 1.295 1.00 0.00 C ATOM 959 CG ARG A 61 -4.454 -10.563 1.507 1.00 0.00 C ATOM 960 CD ARG A 61 -5.664 -10.211 2.355 1.00 0.00 C ATOM 961 NE ARG A 61 -6.545 -9.252 1.686 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.688 -8.802 2.197 1.00 0.00 C ATOM 963 NH1 ARG A 61 -8.091 -9.196 3.399 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.428 -7.960 1.496 1.00 0.00 N ATOM 0 H ARG A 61 -1.963 -7.596 0.706 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.864 -10.395 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.051 -9.121 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.176 -8.494 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.783 -10.948 0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.887 -11.359 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.223 -11.119 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.331 -9.795 3.306 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.264 -8.906 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.523 -9.849 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.969 -8.846 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.121 -7.660 0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.306 -7.610 1.881 1.00 0.00 H new ATOM 978 N ASP A 62 -3.744 -8.815 -1.766 1.00 0.00 N ATOM 979 CA ASP A 62 -4.576 -9.008 -2.951 1.00 0.00 C ATOM 980 C ASP A 62 -3.790 -8.913 -4.249 1.00 0.00 C ATOM 981 O ASP A 62 -4.242 -9.387 -5.291 1.00 0.00 O ATOM 982 CB ASP A 62 -5.751 -8.031 -2.953 1.00 0.00 C ATOM 983 CG ASP A 62 -6.857 -8.481 -2.019 1.00 0.00 C ATOM 984 OD1 ASP A 62 -6.817 -8.139 -0.819 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.765 -9.204 -2.482 1.00 0.00 O ATOM 0 H ASP A 62 -3.615 -7.842 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.964 -10.025 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.403 -7.042 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.145 -7.938 -3.965 1.00 0.00 H new ATOM 990 N THR A 63 -2.622 -8.311 -4.193 1.00 0.00 N ATOM 991 CA THR A 63 -1.719 -8.312 -5.334 1.00 0.00 C ATOM 992 C THR A 63 -0.477 -9.122 -4.990 1.00 0.00 C ATOM 993 O THR A 63 0.478 -8.624 -4.397 1.00 0.00 O ATOM 994 CB THR A 63 -1.343 -6.891 -5.812 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.813 -6.110 -4.744 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.554 -6.182 -6.389 1.00 0.00 C ATOM 0 H THR A 63 -2.272 -7.814 -3.374 1.00 0.00 H new ATOM 0 HA THR A 63 -2.242 -8.775 -6.171 1.00 0.00 H new ATOM 0 HB THR A 63 -0.581 -7.000 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.502 -5.983 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.268 -5.184 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.938 -6.749 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.328 -6.103 -5.625 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.521 -10.393 -5.357 1.00 0.00 N ATOM 1005 CA VAL A 64 0.443 -11.377 -4.878 1.00 0.00 C ATOM 1006 C VAL A 64 1.820 -11.242 -5.518 1.00 0.00 C ATOM 1007 O VAL A 64 2.771 -11.888 -5.079 1.00 0.00 O ATOM 1008 CB VAL A 64 -0.074 -12.806 -5.113 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -1.253 -13.111 -4.200 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.466 -13.003 -6.570 1.00 0.00 C ATOM 0 H VAL A 64 -1.222 -10.773 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 64 0.554 -11.180 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 64 0.732 -13.500 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.602 -14.127 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.941 -13.017 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.061 -12.408 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.829 -14.021 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.253 -12.296 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.402 -12.834 -7.207 1.00 0.00 H new ATOM 1020 N GLU A 65 1.940 -10.413 -6.540 1.00 0.00 N ATOM 1021 CA GLU A 65 3.209 -10.282 -7.249 1.00 0.00 C ATOM 1022 C GLU A 65 4.204 -9.418 -6.474 1.00 0.00 C ATOM 1023 O GLU A 65 5.341 -9.227 -6.909 1.00 0.00 O ATOM 1024 CB GLU A 65 2.992 -9.730 -8.657 1.00 0.00 C ATOM 1025 CG GLU A 65 2.203 -10.670 -9.550 1.00 0.00 C ATOM 1026 CD GLU A 65 2.758 -12.084 -9.533 1.00 0.00 C ATOM 1027 OE1 GLU A 65 3.913 -12.286 -9.961 1.00 0.00 O ATOM 1028 OE2 GLU A 65 2.048 -13.005 -9.070 1.00 0.00 O ATOM 0 H GLU A 65 1.187 -9.825 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 65 3.639 -11.280 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.468 -8.777 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.960 -9.530 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.162 -10.687 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.213 -10.291 -10.572 1.00 0.00 H new ATOM 1035 N PHE A 66 3.785 -8.900 -5.325 1.00 0.00 N ATOM 1036 CA PHE A 66 4.702 -8.188 -4.441 1.00 0.00 C ATOM 1037 C PHE A 66 5.553 -9.176 -3.653 1.00 0.00 C ATOM 1038 O PHE A 66 6.629 -8.835 -3.159 1.00 0.00 O ATOM 1039 CB PHE A 66 3.950 -7.255 -3.490 1.00 0.00 C ATOM 1040 CG PHE A 66 3.558 -5.952 -4.125 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.503 -4.960 -4.334 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.253 -5.719 -4.518 1.00 0.00 C ATOM 1043 CE1 PHE A 66 4.151 -3.760 -4.918 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.894 -4.520 -5.103 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.846 -3.540 -5.306 1.00 0.00 C ATOM 0 H PHE A 66 2.825 -8.958 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 66 5.356 -7.575 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.054 -7.760 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.575 -7.054 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.527 -5.128 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.505 -6.483 -4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.897 -2.994 -5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.870 -4.349 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.569 -2.604 -5.767 1.00 0.00 H new ATOM 1055 N SER A 67 5.063 -10.404 -3.542 1.00 0.00 N ATOM 1056 CA SER A 67 5.827 -11.478 -2.934 1.00 0.00 C ATOM 1057 C SER A 67 6.795 -12.049 -3.967 1.00 0.00 C ATOM 1058 O SER A 67 6.418 -12.876 -4.798 1.00 0.00 O ATOM 1059 CB SER A 67 4.891 -12.571 -2.407 1.00 0.00 C ATOM 1060 OG SER A 67 3.935 -12.038 -1.501 1.00 0.00 O ATOM 0 H SER A 67 4.136 -10.679 -3.867 1.00 0.00 H new ATOM 0 HA SER A 67 6.393 -11.087 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.378 -13.047 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.476 -13.345 -1.909 1.00 0.00 H new ATOM 0 HG SER A 67 4.061 -12.442 -0.617 1.00 0.00 H new ATOM 1066 N GLY A 68 8.033 -11.571 -3.927 1.00 0.00 N ATOM 1067 CA GLY A 68 9.015 -11.944 -4.928 1.00 0.00 C ATOM 1068 C GLY A 68 9.460 -13.387 -4.822 1.00 0.00 C ATOM 1069 O GLY A 68 9.656 -14.055 -5.835 1.00 0.00 O ATOM 0 H GLY A 68 8.376 -10.927 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.596 -11.772 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.885 -11.295 -4.833 1.00 0.00 H new ATOM 1073 N VAL A 69 9.626 -13.874 -3.603 1.00 0.00 N ATOM 1074 CA VAL A 69 10.102 -15.232 -3.395 1.00 0.00 C ATOM 1075 C VAL A 69 8.930 -16.185 -3.196 1.00 0.00 C ATOM 1076 O VAL A 69 8.363 -16.273 -2.104 1.00 0.00 O ATOM 1077 CB VAL A 69 11.060 -15.328 -2.185 1.00 0.00 C ATOM 1078 CG1 VAL A 69 11.645 -16.728 -2.073 1.00 0.00 C ATOM 1079 CG2 VAL A 69 12.171 -14.294 -2.299 1.00 0.00 C ATOM 0 H VAL A 69 9.439 -13.352 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 69 10.656 -15.518 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 69 10.489 -15.122 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.316 -16.774 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.839 -17.450 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.200 -16.964 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.835 -14.377 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.738 -14.469 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.737 -13.295 -2.327 1.00 0.00 H new ATOM 1089 N LYS A 70 8.558 -16.876 -4.259 1.00 0.00 N ATOM 1090 CA LYS A 70 7.458 -17.827 -4.204 1.00 0.00 C ATOM 1091 C LYS A 70 8.006 -19.242 -4.112 1.00 0.00 C ATOM 1092 O LYS A 70 9.034 -19.551 -4.713 1.00 0.00 O ATOM 1093 CB LYS A 70 6.578 -17.694 -5.446 1.00 0.00 C ATOM 1094 CG LYS A 70 6.108 -16.275 -5.711 1.00 0.00 C ATOM 1095 CD LYS A 70 5.312 -16.193 -7.001 1.00 0.00 C ATOM 1096 CE LYS A 70 5.014 -14.756 -7.388 1.00 0.00 C ATOM 1097 NZ LYS A 70 4.289 -14.686 -8.681 1.00 0.00 N ATOM 0 H LYS A 70 9.002 -16.797 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 70 6.854 -17.615 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.133 -18.052 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.708 -18.341 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.494 -15.931 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.969 -15.609 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.869 -16.678 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.376 -16.740 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.417 -14.283 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.946 -14.196 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.568 -13.823 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.525 -15.519 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.264 -14.667 -8.504 1.00 0.00 H new ATOM 1111 N GLU A 71 7.336 -20.095 -3.356 1.00 0.00 N ATOM 1112 CA GLU A 71 7.768 -21.477 -3.225 1.00 0.00 C ATOM 1113 C GLU A 71 6.940 -22.378 -4.130 1.00 0.00 C ATOM 1114 O GLU A 71 5.706 -22.352 -4.092 1.00 0.00 O ATOM 1115 CB GLU A 71 7.657 -21.949 -1.774 1.00 0.00 C ATOM 1116 CG GLU A 71 8.471 -21.116 -0.798 1.00 0.00 C ATOM 1117 CD GLU A 71 8.597 -21.773 0.560 1.00 0.00 C ATOM 1118 OE1 GLU A 71 7.632 -21.718 1.349 1.00 0.00 O ATOM 1119 OE2 GLU A 71 9.669 -22.344 0.847 1.00 0.00 O ATOM 0 H GLU A 71 6.497 -19.858 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 71 8.814 -21.534 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.610 -21.926 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.984 -22.987 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.466 -20.948 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.004 -20.138 -0.683 1.00 0.00 H new ATOM 1126 N GLY A 72 7.626 -23.155 -4.956 1.00 0.00 N ATOM 1127 CA GLY A 72 6.951 -24.093 -5.827 1.00 0.00 C ATOM 1128 C GLY A 72 6.437 -25.292 -5.063 1.00 0.00 C ATOM 1129 O GLY A 72 7.161 -25.882 -4.259 1.00 0.00 O ATOM 0 H GLY A 72 8.643 -23.152 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.119 -23.594 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.637 -24.424 -6.607 1.00 0.00 H new ATOM 1133 N SER A 73 5.183 -25.641 -5.283 1.00 0.00 N ATOM 1134 CA SER A 73 4.583 -26.777 -4.610 1.00 0.00 C ATOM 1135 C SER A 73 3.519 -27.413 -5.494 1.00 0.00 C ATOM 1136 O SER A 73 2.320 -27.167 -5.261 1.00 0.00 O ATOM 1137 CB SER A 73 3.975 -26.339 -3.274 1.00 0.00 C ATOM 1138 OG SER A 73 4.964 -25.804 -2.407 1.00 0.00 O ATOM 1139 OXT SER A 73 3.894 -28.139 -6.437 1.00 0.00 O ATOM 0 H SER A 73 4.559 -25.152 -5.925 1.00 0.00 H new ATOM 0 HA SER A 73 5.358 -27.518 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.202 -25.592 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.491 -27.191 -2.796 1.00 0.00 H new ATOM 0 HG SER A 73 4.547 -25.532 -1.563 1.00 0.00 H new TER 1145 SER A 73