USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 98 SER OG : rot 180:sc= 0.00369 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.534 USER MOD Set 2.1: A 34 MET CE :methyl 146:sc= -1.07 (180deg=-2.67) USER MOD Set 2.2: A 43 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.086) USER MOD Single : A -2 GLY N :NH3+ -101:sc= 0.0372 (180deg=0) USER MOD Single : A 41 SER OG : rot 76:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.2) USER MOD Single : A 49 GLN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 50 SER OG : rot 72:sc= 0.0235 USER MOD Single : A 51 HIS : no HD1:sc= 0.911 K(o=0.91,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.088 X(o=-0.088,f=-0.088) USER MOD Single : A 61 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0644 USER MOD Single : A 66 SER OG : rot 68:sc= 0.193 USER MOD Single : A 68 THR OG1 : rot -165:sc= 0.512 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.949! C(o=-0.95!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.197 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 82:sc= 1.25 USER MOD Single : A 105 CYS SG : rot 75:sc= -1.32 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 7.356 0.909 -1.703 1.00 0.00 N ATOM 2 CA GLY A -2 6.802 -0.304 -1.060 1.00 0.00 C ATOM 3 C GLY A -2 5.614 -0.879 -1.831 1.00 0.00 C ATOM 4 O GLY A -2 4.951 -0.179 -2.604 1.00 0.00 O ATOM 0 H1 GLY A -2 8.214 0.659 -2.235 1.00 0.00 H new ATOM 0 H2 GLY A -2 6.651 1.310 -2.353 1.00 0.00 H new ATOM 0 H3 GLY A -2 7.593 1.611 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A -2 7.583 -1.061 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A -2 6.490 -0.063 -0.044 1.00 0.00 H new ATOM 10 N HIS A -1 5.322 -2.167 -1.615 1.00 0.00 N ATOM 11 CA HIS A -1 4.190 -2.877 -2.213 1.00 0.00 C ATOM 12 C HIS A -1 3.731 -3.972 -1.246 1.00 0.00 C ATOM 13 O HIS A -1 4.497 -4.375 -0.362 1.00 0.00 O ATOM 14 CB HIS A -1 4.611 -3.471 -3.563 1.00 0.00 C ATOM 15 CG HIS A -1 3.454 -4.056 -4.333 1.00 0.00 C ATOM 16 ND1 HIS A -1 2.307 -3.363 -4.734 1.00 0.00 N ATOM 17 CD2 HIS A -1 3.360 -5.350 -4.748 1.00 0.00 C ATOM 18 CE1 HIS A -1 1.558 -4.261 -5.402 1.00 0.00 C ATOM 19 NE2 HIS A -1 2.170 -5.459 -5.429 1.00 0.00 N ATOM 0 H HIS A -1 5.883 -2.759 -1.002 1.00 0.00 H new ATOM 0 HA HIS A -1 3.361 -2.192 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A -1 5.085 -2.695 -4.164 1.00 0.00 H new ATOM 0 HB3 HIS A -1 5.359 -4.246 -3.396 1.00 0.00 H new ATOM 0 HD2 HIS A -1 4.079 -6.137 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.600 -4.049 -5.853 1.00 0.00 H new ATOM 0 HE2 HIS A -1 1.813 -6.303 -5.877 1.00 0.00 H new ATOM 27 N MET A 34 2.489 -4.450 -1.392 1.00 0.00 N ATOM 28 CA MET A 34 1.955 -5.531 -0.567 1.00 0.00 C ATOM 29 C MET A 34 2.720 -6.837 -0.826 1.00 0.00 C ATOM 30 O MET A 34 3.222 -7.065 -1.931 1.00 0.00 O ATOM 31 CB MET A 34 0.452 -5.719 -0.846 1.00 0.00 C ATOM 32 CG MET A 34 -0.381 -4.538 -0.343 1.00 0.00 C ATOM 33 SD MET A 34 -2.161 -4.845 -0.142 1.00 0.00 S ATOM 34 CE MET A 34 -2.844 -4.872 -1.819 1.00 0.00 C ATOM 0 H MET A 34 1.830 -4.096 -2.085 1.00 0.00 H new ATOM 0 HA MET A 34 2.084 -5.264 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.296 -5.841 -1.918 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.107 -6.635 -0.367 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.023 -4.217 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.252 -3.707 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.663 -5.589 -1.867 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.215 -3.880 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.066 -5.163 -2.524 1.00 0.00 H new ATOM 44 N LEU A 35 2.792 -7.698 0.198 1.00 0.00 N ATOM 45 CA LEU A 35 3.287 -9.072 0.039 1.00 0.00 C ATOM 46 C LEU A 35 2.202 -9.856 -0.706 1.00 0.00 C ATOM 47 O LEU A 35 1.051 -9.428 -0.692 1.00 0.00 O ATOM 48 CB LEU A 35 3.570 -9.720 1.413 1.00 0.00 C ATOM 49 CG LEU A 35 4.660 -9.023 2.255 1.00 0.00 C ATOM 50 CD1 LEU A 35 4.809 -9.756 3.591 1.00 0.00 C ATOM 51 CD2 LEU A 35 6.018 -8.979 1.541 1.00 0.00 C ATOM 0 H LEU A 35 2.512 -7.465 1.151 1.00 0.00 H new ATOM 0 HA LEU A 35 4.225 -9.077 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.644 -9.735 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.864 -10.758 1.254 1.00 0.00 H new ATOM 0 HG LEU A 35 4.344 -7.992 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.578 -9.268 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.861 -9.731 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.095 -10.792 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.748 -8.478 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.354 -9.995 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.919 -8.432 0.603 1.00 0.00 H new ATOM 63 N GLU A 36 2.507 -11.008 -1.313 1.00 0.00 N ATOM 64 CA GLU A 36 1.527 -11.702 -2.157 1.00 0.00 C ATOM 65 C GLU A 36 0.288 -12.071 -1.350 1.00 0.00 C ATOM 66 O GLU A 36 -0.830 -11.761 -1.761 1.00 0.00 O ATOM 67 CB GLU A 36 2.148 -12.936 -2.842 1.00 0.00 C ATOM 68 CG GLU A 36 1.156 -13.651 -3.771 1.00 0.00 C ATOM 69 CD GLU A 36 1.843 -14.770 -4.573 1.00 0.00 C ATOM 70 OE1 GLU A 36 1.884 -15.930 -4.094 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.345 -14.498 -5.691 1.00 0.00 O ATOM 0 H GLU A 36 3.411 -11.475 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 36 1.218 -11.019 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.022 -12.628 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.496 -13.634 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.342 -14.072 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.713 -12.929 -4.457 1.00 0.00 H new ATOM 78 N ALA A 37 0.478 -12.670 -0.175 1.00 0.00 N ATOM 79 CA ALA A 37 -0.653 -13.149 0.613 1.00 0.00 C ATOM 80 C ALA A 37 -1.438 -11.971 1.199 1.00 0.00 C ATOM 81 O ALA A 37 -2.663 -12.028 1.308 1.00 0.00 O ATOM 82 CB ALA A 37 -0.209 -14.124 1.704 1.00 0.00 C ATOM 0 H ALA A 37 1.392 -12.833 0.247 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.316 -13.700 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.079 -14.458 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.279 -14.984 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.490 -13.625 2.375 1.00 0.00 H new ATOM 88 N ASP A 38 -0.740 -10.890 1.552 1.00 0.00 N ATOM 89 CA ASP A 38 -1.356 -9.669 2.067 1.00 0.00 C ATOM 90 C ASP A 38 -2.181 -8.983 0.972 1.00 0.00 C ATOM 91 O ASP A 38 -3.315 -8.575 1.219 1.00 0.00 O ATOM 92 CB ASP A 38 -0.262 -8.734 2.595 1.00 0.00 C ATOM 93 CG ASP A 38 -0.846 -7.497 3.294 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.653 -7.658 4.239 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.489 -6.359 2.909 1.00 0.00 O ATOM 0 H ASP A 38 0.277 -10.838 1.487 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.032 -9.920 2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.373 -9.278 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.373 -8.416 1.768 1.00 0.00 H new ATOM 100 N LEU A 39 -1.646 -8.940 -0.254 1.00 0.00 N ATOM 101 CA LEU A 39 -2.293 -8.364 -1.425 1.00 0.00 C ATOM 102 C LEU A 39 -3.599 -9.067 -1.690 1.00 0.00 C ATOM 103 O LEU A 39 -4.645 -8.422 -1.767 1.00 0.00 O ATOM 104 CB LEU A 39 -1.369 -8.439 -2.660 1.00 0.00 C ATOM 105 CG LEU A 39 -1.986 -7.851 -3.957 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.883 -7.210 -4.808 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.705 -8.886 -4.832 1.00 0.00 C ATOM 0 H LEU A 39 -0.721 -9.319 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.496 -7.312 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.443 -7.908 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.104 -9.481 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.728 -7.124 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.319 -6.798 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.404 -6.412 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.141 -7.964 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.108 -8.396 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.999 -9.660 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.519 -9.338 -4.266 1.00 0.00 H new ATOM 119 N VAL A 40 -3.545 -10.388 -1.838 1.00 0.00 N ATOM 120 CA VAL A 40 -4.719 -11.145 -2.223 1.00 0.00 C ATOM 121 C VAL A 40 -5.764 -11.063 -1.112 1.00 0.00 C ATOM 122 O VAL A 40 -6.928 -10.840 -1.429 1.00 0.00 O ATOM 123 CB VAL A 40 -4.336 -12.577 -2.659 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.372 -12.521 -3.857 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.735 -13.407 -1.525 1.00 0.00 C ATOM 0 H VAL A 40 -2.704 -10.948 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.184 -10.709 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.258 -13.079 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.107 -13.534 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.855 -12.010 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.470 -11.979 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.487 -14.402 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.831 -12.921 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.457 -13.491 -0.713 1.00 0.00 H new ATOM 135 N SER A 41 -5.366 -11.124 0.164 1.00 0.00 N ATOM 136 CA SER A 41 -6.296 -11.020 1.284 1.00 0.00 C ATOM 137 C SER A 41 -6.970 -9.646 1.323 1.00 0.00 C ATOM 138 O SER A 41 -8.192 -9.581 1.412 1.00 0.00 O ATOM 139 CB SER A 41 -5.587 -11.328 2.612 1.00 0.00 C ATOM 140 OG SER A 41 -5.013 -12.624 2.581 1.00 0.00 O ATOM 0 H SER A 41 -4.393 -11.246 0.444 1.00 0.00 H new ATOM 0 HA SER A 41 -7.079 -11.764 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.811 -10.585 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.298 -11.259 3.435 1.00 0.00 H new ATOM 0 HG SER A 41 -4.193 -12.606 2.044 1.00 0.00 H new ATOM 146 N LYS A 42 -6.224 -8.541 1.205 1.00 0.00 N ATOM 147 CA LYS A 42 -6.806 -7.194 1.253 1.00 0.00 C ATOM 148 C LYS A 42 -7.699 -6.950 0.045 1.00 0.00 C ATOM 149 O LYS A 42 -8.784 -6.407 0.213 1.00 0.00 O ATOM 150 CB LYS A 42 -5.699 -6.138 1.330 1.00 0.00 C ATOM 151 CG LYS A 42 -5.148 -6.028 2.761 1.00 0.00 C ATOM 152 CD LYS A 42 -3.879 -5.168 2.743 1.00 0.00 C ATOM 153 CE LYS A 42 -3.387 -4.859 4.156 1.00 0.00 C ATOM 154 NZ LYS A 42 -1.993 -4.349 4.157 1.00 0.00 N ATOM 0 H LYS A 42 -5.212 -8.554 1.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.421 -7.116 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.893 -6.399 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.089 -5.172 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.895 -5.583 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.925 -7.019 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.096 -5.686 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.078 -4.236 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.044 -4.121 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.444 -5.761 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.679 -4.199 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.370 -5.042 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.953 -3.448 3.639 1.00 0.00 H new ATOM 168 N MET A 43 -7.294 -7.347 -1.162 1.00 0.00 N ATOM 169 CA MET A 43 -8.119 -7.110 -2.346 1.00 0.00 C ATOM 170 C MET A 43 -9.369 -7.994 -2.313 1.00 0.00 C ATOM 171 O MET A 43 -10.461 -7.487 -2.550 1.00 0.00 O ATOM 172 CB MET A 43 -7.284 -7.284 -3.622 1.00 0.00 C ATOM 173 CG MET A 43 -6.260 -6.145 -3.752 1.00 0.00 C ATOM 174 SD MET A 43 -5.439 -6.047 -5.360 1.00 0.00 S ATOM 175 CE MET A 43 -4.372 -4.605 -5.112 1.00 0.00 C ATOM 0 H MET A 43 -6.413 -7.827 -1.344 1.00 0.00 H new ATOM 0 HA MET A 43 -8.472 -6.079 -2.346 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.768 -8.244 -3.599 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.938 -7.295 -4.494 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.764 -5.198 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.501 -6.267 -2.979 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.149 -4.147 -6.076 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.881 -3.881 -4.475 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.443 -4.918 -4.635 1.00 0.00 H new ATOM 185 N LEU A 44 -9.251 -9.270 -1.920 1.00 0.00 N ATOM 186 CA LEU A 44 -10.388 -10.154 -1.644 1.00 0.00 C ATOM 187 C LEU A 44 -11.369 -9.449 -0.716 1.00 0.00 C ATOM 188 O LEU A 44 -12.536 -9.246 -1.048 1.00 0.00 O ATOM 189 CB LEU A 44 -9.838 -11.446 -0.999 1.00 0.00 C ATOM 190 CG LEU A 44 -10.875 -12.384 -0.374 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.698 -13.056 -1.466 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.185 -13.442 0.485 1.00 0.00 C ATOM 0 H LEU A 44 -8.347 -9.723 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.921 -10.405 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.288 -12.001 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.121 -11.165 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.539 -11.796 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.432 -13.721 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.212 -12.296 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.039 -13.633 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.935 -14.101 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.505 -14.027 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.622 -12.954 1.281 1.00 0.00 H new ATOM 204 N ARG A 45 -10.867 -9.033 0.445 1.00 0.00 N ATOM 205 CA ARG A 45 -11.606 -8.300 1.454 1.00 0.00 C ATOM 206 C ARG A 45 -12.285 -7.072 0.862 1.00 0.00 C ATOM 207 O ARG A 45 -13.462 -6.864 1.130 1.00 0.00 O ATOM 208 CB ARG A 45 -10.606 -7.993 2.576 1.00 0.00 C ATOM 209 CG ARG A 45 -10.994 -6.898 3.565 1.00 0.00 C ATOM 210 CD ARG A 45 -10.423 -5.514 3.218 1.00 0.00 C ATOM 211 NE ARG A 45 -10.326 -4.745 4.460 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.303 -3.427 4.649 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.178 -2.575 3.634 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.416 -2.996 5.898 1.00 0.00 N ATOM 0 H ARG A 45 -9.898 -9.207 0.712 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.434 -8.879 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.433 -8.911 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.657 -7.716 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.081 -6.831 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.651 -7.183 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.443 -5.611 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.067 -5.004 2.502 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.267 -5.304 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.097 -2.927 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.164 -1.570 3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.515 -3.665 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.404 -1.995 6.095 1.00 0.00 H new ATOM 228 N ALA A 46 -11.588 -6.279 0.053 1.00 0.00 N ATOM 229 CA ALA A 46 -12.158 -5.046 -0.462 1.00 0.00 C ATOM 230 C ALA A 46 -13.325 -5.333 -1.403 1.00 0.00 C ATOM 231 O ALA A 46 -14.360 -4.681 -1.280 1.00 0.00 O ATOM 232 CB ALA A 46 -11.069 -4.221 -1.160 1.00 0.00 C ATOM 0 H ALA A 46 -10.635 -6.469 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.551 -4.465 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.502 -3.298 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.280 -3.982 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.650 -4.796 -1.986 1.00 0.00 H new ATOM 238 N VAL A 47 -13.206 -6.328 -2.287 1.00 0.00 N ATOM 239 CA VAL A 47 -14.311 -6.719 -3.162 1.00 0.00 C ATOM 240 C VAL A 47 -15.502 -7.131 -2.294 1.00 0.00 C ATOM 241 O VAL A 47 -16.628 -6.695 -2.528 1.00 0.00 O ATOM 242 CB VAL A 47 -13.855 -7.844 -4.115 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.000 -8.386 -4.976 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.772 -7.318 -5.072 1.00 0.00 C ATOM 0 H VAL A 47 -12.355 -6.876 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.623 -5.883 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.476 -8.646 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.624 -9.175 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.781 -8.790 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.412 -7.580 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.457 -8.119 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.175 -6.493 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.916 -6.968 -4.495 1.00 0.00 H new ATOM 254 N LEU A 48 -15.258 -7.934 -1.257 1.00 0.00 N ATOM 255 CA LEU A 48 -16.311 -8.416 -0.370 1.00 0.00 C ATOM 256 C LEU A 48 -16.971 -7.265 0.397 1.00 0.00 C ATOM 257 O LEU A 48 -18.179 -7.306 0.613 1.00 0.00 O ATOM 258 CB LEU A 48 -15.723 -9.431 0.618 1.00 0.00 C ATOM 259 CG LEU A 48 -15.222 -10.716 -0.058 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.236 -11.398 0.882 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.376 -11.673 -0.340 1.00 0.00 C ATOM 0 H LEU A 48 -14.326 -8.266 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.078 -8.893 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.897 -8.967 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.481 -9.689 1.357 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.749 -10.457 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.868 -12.314 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.399 -10.729 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.735 -11.640 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.993 -12.574 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.865 -11.940 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.096 -11.190 -1.000 1.00 0.00 H new ATOM 273 N GLN A 49 -16.204 -6.250 0.817 1.00 0.00 N ATOM 274 CA GLN A 49 -16.746 -5.084 1.509 1.00 0.00 C ATOM 275 C GLN A 49 -17.657 -4.273 0.576 1.00 0.00 C ATOM 276 O GLN A 49 -18.712 -3.814 1.019 1.00 0.00 O ATOM 277 CB GLN A 49 -15.612 -4.206 2.073 1.00 0.00 C ATOM 278 CG GLN A 49 -14.942 -4.765 3.346 1.00 0.00 C ATOM 279 CD GLN A 49 -15.830 -4.754 4.598 1.00 0.00 C ATOM 280 OE1 GLN A 49 -16.961 -4.272 4.591 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.346 -5.287 5.710 1.00 0.00 N ATOM 0 H GLN A 49 -15.193 -6.219 0.685 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.348 -5.435 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.851 -4.079 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.011 -3.216 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.624 -5.789 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.042 -4.185 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.408 -5.687 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.911 -5.297 6.559 1.00 0.00 H new ATOM 290 N SER A 50 -17.303 -4.126 -0.704 1.00 0.00 N ATOM 291 CA SER A 50 -18.173 -3.496 -1.689 1.00 0.00 C ATOM 292 C SER A 50 -19.427 -4.340 -1.956 1.00 0.00 C ATOM 293 O SER A 50 -20.507 -3.786 -2.158 1.00 0.00 O ATOM 294 CB SER A 50 -17.402 -3.284 -2.998 1.00 0.00 C ATOM 295 OG SER A 50 -16.252 -2.474 -2.778 1.00 0.00 O ATOM 0 H SER A 50 -16.409 -4.440 -1.081 1.00 0.00 H new ATOM 0 HA SER A 50 -18.495 -2.535 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.101 -4.248 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.050 -2.811 -3.736 1.00 0.00 H new ATOM 0 HG SER A 50 -15.576 -2.991 -2.292 1.00 0.00 H new ATOM 301 N HIS A 51 -19.305 -5.672 -1.914 1.00 0.00 N ATOM 302 CA HIS A 51 -20.334 -6.605 -2.358 1.00 0.00 C ATOM 303 C HIS A 51 -21.035 -7.238 -1.150 1.00 0.00 C ATOM 304 O HIS A 51 -20.960 -8.447 -0.935 1.00 0.00 O ATOM 305 CB HIS A 51 -19.715 -7.642 -3.313 1.00 0.00 C ATOM 306 CG HIS A 51 -19.196 -7.078 -4.624 1.00 0.00 C ATOM 307 ND1 HIS A 51 -19.008 -5.728 -4.951 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.831 -7.835 -5.695 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.523 -5.719 -6.206 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.418 -6.969 -6.681 1.00 0.00 N ATOM 0 H HIS A 51 -18.468 -6.136 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.105 -6.076 -2.918 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.894 -8.142 -2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.464 -8.403 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.860 -8.913 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.255 -4.828 -6.755 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.090 -7.231 -7.610 1.00 0.00 H new ATOM 318 N LYS A 52 -21.729 -6.424 -0.343 1.00 0.00 N ATOM 319 CA LYS A 52 -22.393 -6.882 0.893 1.00 0.00 C ATOM 320 C LYS A 52 -23.489 -7.923 0.651 1.00 0.00 C ATOM 321 O LYS A 52 -23.812 -8.676 1.568 1.00 0.00 O ATOM 322 CB LYS A 52 -22.977 -5.683 1.665 1.00 0.00 C ATOM 323 CG LYS A 52 -21.926 -4.749 2.283 1.00 0.00 C ATOM 324 CD LYS A 52 -21.062 -5.449 3.350 1.00 0.00 C ATOM 325 CE LYS A 52 -20.110 -4.478 4.074 1.00 0.00 C ATOM 326 NZ LYS A 52 -20.801 -3.502 4.967 1.00 0.00 N ATOM 0 H LYS A 52 -21.848 -5.428 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.620 -7.371 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.606 -5.104 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.623 -6.058 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.280 -4.363 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.427 -3.892 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.713 -5.927 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.478 -6.239 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.399 -5.056 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.533 -3.929 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.096 -2.884 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.460 -2.924 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.330 -4.016 5.700 1.00 0.00 H new ATOM 340 N ASN A 53 -24.044 -8.008 -0.562 1.00 0.00 N ATOM 341 CA ASN A 53 -24.976 -9.078 -0.934 1.00 0.00 C ATOM 342 C ASN A 53 -24.310 -10.468 -0.925 1.00 0.00 C ATOM 343 O ASN A 53 -25.004 -11.487 -0.942 1.00 0.00 O ATOM 344 CB ASN A 53 -25.571 -8.773 -2.320 1.00 0.00 C ATOM 345 CG ASN A 53 -26.630 -9.794 -2.738 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.416 -10.593 -3.645 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.792 -9.787 -2.096 1.00 0.00 N ATOM 0 H ASN A 53 -23.861 -7.340 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.769 -9.108 -0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.014 -7.777 -2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.771 -8.759 -3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.521 -10.452 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.955 -9.117 -1.344 1.00 0.00 H new ATOM 354 N GLY A 54 -22.976 -10.516 -0.872 1.00 0.00 N ATOM 355 CA GLY A 54 -22.183 -11.725 -0.955 1.00 0.00 C ATOM 356 C GLY A 54 -21.924 -12.099 -2.410 1.00 0.00 C ATOM 357 O GLY A 54 -22.568 -11.587 -3.330 1.00 0.00 O ATOM 0 H GLY A 54 -22.406 -9.677 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.235 -11.581 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.701 -12.541 -0.451 1.00 0.00 H new ATOM 361 N ILE A 55 -20.968 -13.003 -2.620 1.00 0.00 N ATOM 362 CA ILE A 55 -20.567 -13.480 -3.938 1.00 0.00 C ATOM 363 C ILE A 55 -20.309 -14.973 -3.808 1.00 0.00 C ATOM 364 O ILE A 55 -19.545 -15.389 -2.946 1.00 0.00 O ATOM 365 CB ILE A 55 -19.357 -12.672 -4.497 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.358 -12.147 -3.432 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.845 -11.476 -5.326 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.240 -11.243 -3.982 1.00 0.00 C ATOM 0 H ILE A 55 -20.440 -13.432 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.353 -13.321 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.814 -13.395 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.914 -11.593 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.902 -13.001 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -18.987 -10.924 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.447 -11.834 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.448 -10.820 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.593 -10.926 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.653 -11.796 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.681 -10.366 -4.456 1.00 0.00 H new ATOM 380 N VAL A 56 -20.993 -15.778 -4.617 1.00 0.00 N ATOM 381 CA VAL A 56 -20.841 -17.234 -4.658 1.00 0.00 C ATOM 382 C VAL A 56 -19.412 -17.590 -5.067 1.00 0.00 C ATOM 383 O VAL A 56 -18.837 -16.851 -5.851 1.00 0.00 O ATOM 384 CB VAL A 56 -21.903 -17.836 -5.608 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.310 -17.711 -5.013 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.892 -17.212 -7.014 1.00 0.00 C ATOM 0 H VAL A 56 -21.686 -15.430 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.008 -17.664 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.634 -18.887 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.036 -18.142 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.352 -18.243 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.544 -16.659 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.662 -17.682 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.090 -16.143 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.916 -17.369 -7.474 1.00 0.00 H new ATOM 396 N LEU A 57 -18.833 -18.698 -4.603 1.00 0.00 N ATOM 397 CA LEU A 57 -17.415 -19.022 -4.855 1.00 0.00 C ATOM 398 C LEU A 57 -16.886 -18.859 -6.307 1.00 0.00 C ATOM 399 O LEU A 57 -15.752 -18.399 -6.434 1.00 0.00 O ATOM 400 CB LEU A 57 -16.951 -20.340 -4.194 1.00 0.00 C ATOM 401 CG LEU A 57 -17.341 -21.666 -4.885 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.593 -22.834 -4.235 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.841 -21.984 -4.820 1.00 0.00 C ATOM 0 H LEU A 57 -19.324 -19.397 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.919 -18.203 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.864 -20.311 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.345 -20.363 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.070 -21.538 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.873 -23.765 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.519 -22.679 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.854 -22.890 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.035 -22.929 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.152 -22.060 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.403 -21.188 -5.309 1.00 0.00 H new ATOM 415 N PRO A 58 -17.612 -19.141 -7.418 1.00 0.00 N ATOM 416 CA PRO A 58 -17.084 -18.827 -8.753 1.00 0.00 C ATOM 417 C PRO A 58 -17.150 -17.321 -9.052 1.00 0.00 C ATOM 418 O PRO A 58 -16.219 -16.742 -9.615 1.00 0.00 O ATOM 419 CB PRO A 58 -17.930 -19.648 -9.731 1.00 0.00 C ATOM 420 CG PRO A 58 -19.269 -19.806 -9.015 1.00 0.00 C ATOM 421 CD PRO A 58 -18.853 -19.898 -7.549 1.00 0.00 C ATOM 0 HA PRO A 58 -16.028 -19.082 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.046 -19.136 -10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.473 -20.615 -9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.929 -18.958 -9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.801 -20.699 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.627 -19.488 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.706 -20.937 -7.253 1.00 0.00 H new ATOM 429 N ARG A 59 -18.222 -16.652 -8.612 1.00 0.00 N ATOM 430 CA ARG A 59 -18.383 -15.202 -8.742 1.00 0.00 C ATOM 431 C ARG A 59 -17.339 -14.487 -7.889 1.00 0.00 C ATOM 432 O ARG A 59 -16.882 -13.415 -8.270 1.00 0.00 O ATOM 433 CB ARG A 59 -19.822 -14.823 -8.351 1.00 0.00 C ATOM 434 CG ARG A 59 -20.178 -13.368 -8.688 1.00 0.00 C ATOM 435 CD ARG A 59 -21.647 -13.041 -8.386 1.00 0.00 C ATOM 436 NE ARG A 59 -21.970 -11.649 -8.770 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.156 -11.041 -8.620 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.200 -11.691 -8.112 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.293 -9.768 -8.986 1.00 0.00 N ATOM 0 H ARG A 59 -19.009 -17.108 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.222 -14.887 -9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.518 -15.488 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.955 -14.984 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.535 -12.698 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.977 -13.182 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.295 -13.731 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.844 -13.184 -7.324 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.219 -11.100 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.105 -12.667 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.095 -11.214 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.499 -9.262 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.192 -9.299 -8.875 1.00 0.00 H new ATOM 453 N LEU A 60 -16.937 -15.095 -6.766 1.00 0.00 N ATOM 454 CA LEU A 60 -15.865 -14.609 -5.911 1.00 0.00 C ATOM 455 C LEU A 60 -14.620 -14.461 -6.768 1.00 0.00 C ATOM 456 O LEU A 60 -14.104 -13.354 -6.835 1.00 0.00 O ATOM 457 CB LEU A 60 -15.646 -15.542 -4.685 1.00 0.00 C ATOM 458 CG LEU A 60 -14.584 -15.099 -3.658 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.140 -15.308 -4.122 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.782 -13.648 -3.232 1.00 0.00 C ATOM 0 H LEU A 60 -17.362 -15.957 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.125 -13.638 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.598 -15.650 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.371 -16.530 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.739 -15.755 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.455 -14.972 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.971 -16.366 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.964 -14.735 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.015 -13.373 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.707 -12.999 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.766 -13.533 -2.778 1.00 0.00 H new ATOM 472 N GLN A 61 -14.181 -15.530 -7.457 1.00 0.00 N ATOM 473 CA GLN A 61 -13.005 -15.471 -8.337 1.00 0.00 C ATOM 474 C GLN A 61 -13.143 -14.350 -9.367 1.00 0.00 C ATOM 475 O GLN A 61 -12.184 -13.604 -9.561 1.00 0.00 O ATOM 476 CB GLN A 61 -12.754 -16.804 -9.075 1.00 0.00 C ATOM 477 CG GLN A 61 -11.915 -17.816 -8.283 1.00 0.00 C ATOM 478 CD GLN A 61 -11.546 -19.034 -9.147 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.406 -19.835 -9.505 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.274 -19.211 -9.505 1.00 0.00 N ATOM 0 H GLN A 61 -14.626 -16.447 -7.419 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.152 -15.272 -7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.715 -17.258 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.252 -16.594 -10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.006 -17.335 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.471 -18.145 -7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.563 -18.544 -9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.012 -20.013 -10.078 1.00 0.00 H new ATOM 489 N GLY A 62 -14.304 -14.223 -10.017 1.00 0.00 N ATOM 490 CA GLY A 62 -14.509 -13.228 -11.060 1.00 0.00 C ATOM 491 C GLY A 62 -14.280 -11.810 -10.535 1.00 0.00 C ATOM 492 O GLY A 62 -13.446 -11.082 -11.068 1.00 0.00 O ATOM 0 H GLY A 62 -15.120 -14.806 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.830 -13.424 -11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.523 -13.313 -11.451 1.00 0.00 H new ATOM 496 N GLU A 63 -14.990 -11.424 -9.473 1.00 0.00 N ATOM 497 CA GLU A 63 -14.940 -10.052 -8.968 1.00 0.00 C ATOM 498 C GLU A 63 -13.588 -9.761 -8.297 1.00 0.00 C ATOM 499 O GLU A 63 -12.992 -8.694 -8.497 1.00 0.00 O ATOM 500 CB GLU A 63 -16.112 -9.825 -7.997 1.00 0.00 C ATOM 501 CG GLU A 63 -17.489 -9.911 -8.680 1.00 0.00 C ATOM 502 CD GLU A 63 -17.674 -8.801 -9.730 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.717 -7.610 -9.341 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.782 -9.108 -10.941 1.00 0.00 O ATOM 0 H GLU A 63 -15.606 -12.043 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.037 -9.358 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.063 -10.565 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.005 -8.846 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.598 -10.885 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.274 -9.835 -7.928 1.00 0.00 H new ATOM 511 N TYR A 64 -13.072 -10.746 -7.551 1.00 0.00 N ATOM 512 CA TYR A 64 -11.724 -10.738 -7.007 1.00 0.00 C ATOM 513 C TYR A 64 -10.737 -10.388 -8.116 1.00 0.00 C ATOM 514 O TYR A 64 -9.972 -9.433 -7.970 1.00 0.00 O ATOM 515 CB TYR A 64 -11.416 -12.107 -6.386 1.00 0.00 C ATOM 516 CG TYR A 64 -9.954 -12.375 -6.144 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.352 -12.024 -4.927 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.199 -12.988 -7.159 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.991 -12.293 -4.713 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.838 -13.236 -6.959 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.234 -12.909 -5.737 1.00 0.00 C ATOM 522 OH TYR A 64 -5.920 -13.195 -5.587 1.00 0.00 O ATOM 0 H TYR A 64 -13.598 -11.585 -7.308 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.635 -9.986 -6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.948 -12.188 -5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.810 -12.884 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.936 -11.546 -4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.669 -13.267 -8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.526 -12.032 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.250 -13.681 -7.748 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.582 -13.618 -6.404 1.00 0.00 H new ATOM 532 N ARG A 65 -10.793 -11.120 -9.231 1.00 0.00 N ATOM 533 CA ARG A 65 -9.865 -10.949 -10.332 1.00 0.00 C ATOM 534 C ARG A 65 -10.028 -9.579 -10.968 1.00 0.00 C ATOM 535 O ARG A 65 -9.016 -8.991 -11.352 1.00 0.00 O ATOM 536 CB ARG A 65 -10.055 -12.080 -11.346 1.00 0.00 C ATOM 537 CG ARG A 65 -9.061 -11.902 -12.506 1.00 0.00 C ATOM 538 CD ARG A 65 -8.843 -13.219 -13.233 1.00 0.00 C ATOM 539 NE ARG A 65 -7.612 -13.162 -14.030 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.503 -13.056 -15.363 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.589 -12.984 -16.134 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.299 -13.019 -15.925 1.00 0.00 N ATOM 0 H ARG A 65 -11.489 -11.849 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.844 -11.002 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.898 -13.045 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.077 -12.075 -11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.438 -11.154 -13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.110 -11.530 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.780 -14.034 -12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.694 -13.430 -13.880 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.736 -13.208 -13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.517 -13.009 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.491 -12.904 -17.146 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.463 -13.071 -15.343 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.211 -12.938 -16.938 1.00 0.00 H new ATOM 556 N SER A 66 -11.245 -9.048 -11.075 1.00 0.00 N ATOM 557 CA SER A 66 -11.432 -7.695 -11.574 1.00 0.00 C ATOM 558 C SER A 66 -10.628 -6.690 -10.737 1.00 0.00 C ATOM 559 O SER A 66 -10.093 -5.741 -11.313 1.00 0.00 O ATOM 560 CB SER A 66 -12.920 -7.316 -11.609 1.00 0.00 C ATOM 561 OG SER A 66 -13.661 -8.251 -12.384 1.00 0.00 O ATOM 0 H SER A 66 -12.107 -9.533 -10.824 1.00 0.00 H new ATOM 0 HA SER A 66 -11.058 -7.661 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.316 -7.284 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.036 -6.317 -12.028 1.00 0.00 H new ATOM 0 HG SER A 66 -13.675 -9.117 -11.926 1.00 0.00 H new ATOM 567 N LEU A 67 -10.493 -6.892 -9.413 1.00 0.00 N ATOM 568 CA LEU A 67 -9.626 -6.027 -8.611 1.00 0.00 C ATOM 569 C LEU A 67 -8.131 -6.399 -8.701 1.00 0.00 C ATOM 570 O LEU A 67 -7.314 -5.513 -8.964 1.00 0.00 O ATOM 571 CB LEU A 67 -10.094 -5.980 -7.148 1.00 0.00 C ATOM 572 CG LEU A 67 -9.304 -4.956 -6.293 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.329 -3.525 -6.860 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.893 -4.903 -4.879 1.00 0.00 C ATOM 0 H LEU A 67 -10.964 -7.631 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.716 -5.030 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.154 -5.728 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.990 -6.971 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.270 -5.301 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.756 -2.865 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.890 -3.521 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.359 -3.174 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.336 -4.183 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.939 -4.600 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.823 -5.889 -4.419 1.00 0.00 H new ATOM 586 N THR A 68 -7.741 -7.657 -8.478 1.00 0.00 N ATOM 587 CA THR A 68 -6.326 -8.038 -8.354 1.00 0.00 C ATOM 588 C THR A 68 -5.600 -8.125 -9.697 1.00 0.00 C ATOM 589 O THR A 68 -4.395 -7.864 -9.770 1.00 0.00 O ATOM 590 CB THR A 68 -6.215 -9.432 -7.721 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.118 -10.308 -8.369 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.510 -9.421 -6.229 1.00 0.00 C ATOM 0 H THR A 68 -8.390 -8.437 -8.378 1.00 0.00 H new ATOM 0 HA THR A 68 -5.867 -7.258 -7.746 1.00 0.00 H new ATOM 0 HB THR A 68 -5.186 -9.769 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.229 -11.120 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.417 -10.432 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.801 -8.766 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.524 -9.057 -6.061 1.00 0.00 H new ATOM 600 N GLY A 69 -6.319 -8.501 -10.757 1.00 0.00 N ATOM 601 CA GLY A 69 -5.731 -8.860 -12.033 1.00 0.00 C ATOM 602 C GLY A 69 -5.133 -10.275 -11.957 1.00 0.00 C ATOM 603 O GLY A 69 -4.260 -10.601 -12.768 1.00 0.00 O ATOM 0 H GLY A 69 -7.337 -8.563 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.488 -8.818 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.955 -8.142 -12.300 1.00 0.00 H new ATOM 607 N ASP A 70 -5.563 -11.118 -11.001 1.00 0.00 N ATOM 608 CA ASP A 70 -5.036 -12.470 -10.779 1.00 0.00 C ATOM 609 C ASP A 70 -6.184 -13.418 -10.431 1.00 0.00 C ATOM 610 O ASP A 70 -7.267 -12.964 -10.066 1.00 0.00 O ATOM 611 CB ASP A 70 -4.009 -12.464 -9.631 1.00 0.00 C ATOM 612 CG ASP A 70 -3.136 -13.740 -9.591 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.150 -14.557 -10.547 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.413 -13.926 -8.581 1.00 0.00 O ATOM 0 H ASP A 70 -6.305 -10.869 -10.347 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.544 -12.808 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.363 -11.592 -9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.535 -12.361 -8.682 1.00 0.00 H new ATOM 619 N TRP A 71 -5.979 -14.728 -10.541 1.00 0.00 N ATOM 620 CA TRP A 71 -6.895 -15.736 -10.038 1.00 0.00 C ATOM 621 C TRP A 71 -6.564 -15.991 -8.562 1.00 0.00 C ATOM 622 O TRP A 71 -5.425 -15.786 -8.130 1.00 0.00 O ATOM 623 CB TRP A 71 -6.741 -17.031 -10.844 1.00 0.00 C ATOM 624 CG TRP A 71 -7.137 -16.934 -12.284 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.309 -17.107 -13.338 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.447 -16.638 -12.859 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.009 -16.943 -14.516 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.330 -16.630 -14.283 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.713 -16.328 -12.317 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.416 -16.337 -15.123 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.796 -16.000 -13.149 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.659 -16.016 -14.548 1.00 0.00 C ATOM 0 H TRP A 71 -5.153 -15.122 -10.992 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.925 -15.392 -10.136 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.701 -17.352 -10.790 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.340 -17.809 -10.370 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.256 -17.339 -13.269 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.599 -17.041 -15.445 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.851 -16.343 -11.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.299 -16.358 -16.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.745 -15.732 -12.709 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.504 -15.783 -15.178 1.00 0.00 H new ATOM 643 N ILE A 72 -7.557 -16.469 -7.794 1.00 0.00 N ATOM 644 CA ILE A 72 -7.376 -16.805 -6.379 1.00 0.00 C ATOM 645 C ILE A 72 -6.203 -17.798 -6.287 1.00 0.00 C ATOM 646 O ILE A 72 -6.226 -18.814 -6.986 1.00 0.00 O ATOM 647 CB ILE A 72 -8.685 -17.399 -5.801 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.799 -16.340 -5.648 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.449 -18.163 -4.484 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.722 -15.478 -4.384 1.00 0.00 C ATOM 0 H ILE A 72 -8.503 -16.632 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.147 -15.918 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.035 -18.124 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.773 -15.683 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.763 -16.848 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.396 -18.560 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.755 -18.985 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.029 -17.485 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.550 -14.769 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.784 -16.117 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.778 -14.934 -4.372 1.00 0.00 H new ATOM 662 N PRO A 73 -5.212 -17.567 -5.408 1.00 0.00 N ATOM 663 CA PRO A 73 -4.032 -18.408 -5.303 1.00 0.00 C ATOM 664 C PRO A 73 -4.293 -19.625 -4.391 1.00 0.00 C ATOM 665 O PRO A 73 -3.450 -19.943 -3.559 1.00 0.00 O ATOM 666 CB PRO A 73 -2.939 -17.465 -4.787 1.00 0.00 C ATOM 667 CG PRO A 73 -3.728 -16.594 -3.819 1.00 0.00 C ATOM 668 CD PRO A 73 -5.044 -16.389 -4.567 1.00 0.00 C ATOM 0 HA PRO A 73 -3.735 -18.857 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.132 -18.004 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.487 -16.882 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.878 -17.087 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.223 -15.649 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.877 -16.284 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.014 -15.480 -5.168 1.00 0.00 H new ATOM 676 N PHE A 74 -5.463 -20.271 -4.471 1.00 0.00 N ATOM 677 CA PHE A 74 -5.844 -21.322 -3.523 1.00 0.00 C ATOM 678 C PHE A 74 -4.832 -22.465 -3.565 1.00 0.00 C ATOM 679 O PHE A 74 -4.097 -22.684 -2.603 1.00 0.00 O ATOM 680 CB PHE A 74 -7.296 -21.802 -3.736 1.00 0.00 C ATOM 681 CG PHE A 74 -7.597 -22.543 -5.029 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.774 -21.853 -6.242 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.698 -23.948 -5.016 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.052 -22.555 -7.425 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.003 -24.649 -6.194 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.179 -23.956 -7.400 1.00 0.00 C ATOM 0 H PHE A 74 -6.164 -20.082 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.822 -20.899 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.563 -22.452 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.951 -20.932 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.695 -20.776 -6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.540 -24.489 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.169 -22.019 -8.355 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.102 -25.724 -6.171 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.411 -24.496 -8.306 1.00 0.00 H new ATOM 696 N LYS A 75 -4.711 -23.133 -4.709 1.00 0.00 N ATOM 697 CA LYS A 75 -3.833 -24.285 -4.884 1.00 0.00 C ATOM 698 C LYS A 75 -2.362 -23.862 -4.856 1.00 0.00 C ATOM 699 O LYS A 75 -1.489 -24.644 -4.486 1.00 0.00 O ATOM 700 CB LYS A 75 -4.238 -24.950 -6.210 1.00 0.00 C ATOM 701 CG LYS A 75 -3.699 -26.383 -6.335 1.00 0.00 C ATOM 702 CD LYS A 75 -4.243 -27.052 -7.608 1.00 0.00 C ATOM 703 CE LYS A 75 -3.816 -28.525 -7.740 1.00 0.00 C ATOM 704 NZ LYS A 75 -2.363 -28.696 -8.022 1.00 0.00 N ATOM 0 H LYS A 75 -5.228 -22.885 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.941 -24.999 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.325 -24.965 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.867 -24.351 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.609 -26.367 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.988 -26.964 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.331 -26.993 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.895 -26.499 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.064 -29.052 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.391 -28.992 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.141 -29.709 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.124 -28.220 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.808 -28.278 -7.248 1.00 0.00 H new ATOM 718 N GLN A 76 -2.110 -22.611 -5.233 1.00 0.00 N ATOM 719 CA GLN A 76 -0.808 -21.988 -5.344 1.00 0.00 C ATOM 720 C GLN A 76 -0.238 -21.735 -3.933 1.00 0.00 C ATOM 721 O GLN A 76 0.953 -21.956 -3.703 1.00 0.00 O ATOM 722 CB GLN A 76 -0.950 -20.691 -6.175 1.00 0.00 C ATOM 723 CG GLN A 76 -1.566 -20.856 -7.594 1.00 0.00 C ATOM 724 CD GLN A 76 -3.101 -20.725 -7.669 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.833 -21.299 -6.872 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.662 -19.975 -8.606 1.00 0.00 N ATOM 0 H GLN A 76 -2.863 -21.970 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.102 -22.638 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.565 -19.988 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.037 -20.239 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.122 -20.110 -8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.282 -21.834 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.079 -19.485 -9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.677 -19.888 -8.649 1.00 0.00 H new ATOM 735 N LEU A 77 -1.082 -21.332 -2.970 1.00 0.00 N ATOM 736 CA LEU A 77 -0.739 -21.219 -1.547 1.00 0.00 C ATOM 737 C LEU A 77 -0.836 -22.584 -0.844 1.00 0.00 C ATOM 738 O LEU A 77 -0.143 -22.795 0.153 1.00 0.00 O ATOM 739 CB LEU A 77 -1.625 -20.176 -0.850 1.00 0.00 C ATOM 740 CG LEU A 77 -1.356 -18.712 -1.263 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.391 -17.772 -0.631 1.00 0.00 C ATOM 742 CD2 LEU A 77 0.043 -18.217 -0.880 1.00 0.00 C ATOM 0 H LEU A 77 -2.048 -21.069 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 77 0.295 -20.882 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.669 -20.411 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.487 -20.265 0.227 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.431 -18.698 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.184 -16.746 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.390 -18.054 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.336 -17.847 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.163 -17.182 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.168 -18.279 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.795 -18.837 -1.368 1.00 0.00 H new ATOM 754 N GLY A 78 -1.643 -23.518 -1.367 1.00 0.00 N ATOM 755 CA GLY A 78 -1.691 -24.913 -0.922 1.00 0.00 C ATOM 756 C GLY A 78 -3.039 -25.327 -0.328 1.00 0.00 C ATOM 757 O GLY A 78 -3.141 -26.409 0.256 1.00 0.00 O ATOM 0 H GLY A 78 -2.293 -23.318 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.463 -25.562 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.912 -25.074 -0.177 1.00 0.00 H new ATOM 761 N TYR A 79 -4.073 -24.495 -0.462 1.00 0.00 N ATOM 762 CA TYR A 79 -5.439 -24.824 -0.077 1.00 0.00 C ATOM 763 C TYR A 79 -6.028 -25.693 -1.191 1.00 0.00 C ATOM 764 O TYR A 79 -5.807 -25.382 -2.365 1.00 0.00 O ATOM 765 CB TYR A 79 -6.253 -23.532 0.055 1.00 0.00 C ATOM 766 CG TYR A 79 -5.606 -22.557 1.009 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.745 -22.752 2.390 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.861 -21.468 0.522 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.120 -21.874 3.286 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.244 -20.575 1.416 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.373 -20.772 2.810 1.00 0.00 C ATOM 772 OH TYR A 79 -3.790 -19.923 3.704 1.00 0.00 O ATOM 0 H TYR A 79 -3.978 -23.556 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.462 -25.351 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.358 -23.067 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.258 -23.770 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.333 -23.578 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.762 -21.317 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.210 -22.041 4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.673 -19.740 1.038 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.311 -19.217 3.221 1.00 0.00 H new ATOM 782 N PRO A 80 -6.788 -26.756 -0.885 1.00 0.00 N ATOM 783 CA PRO A 80 -7.231 -27.681 -1.916 1.00 0.00 C ATOM 784 C PRO A 80 -8.271 -27.075 -2.861 1.00 0.00 C ATOM 785 O PRO A 80 -8.343 -27.489 -4.019 1.00 0.00 O ATOM 786 CB PRO A 80 -7.790 -28.892 -1.154 1.00 0.00 C ATOM 787 CG PRO A 80 -8.227 -28.301 0.186 1.00 0.00 C ATOM 788 CD PRO A 80 -7.136 -27.254 0.434 1.00 0.00 C ATOM 0 HA PRO A 80 -6.405 -27.953 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.627 -29.348 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.035 -29.667 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.219 -27.853 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.259 -29.053 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.498 -26.451 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.271 -27.695 0.931 1.00 0.00 H new ATOM 796 N THR A 81 -9.068 -26.108 -2.393 1.00 0.00 N ATOM 797 CA THR A 81 -10.220 -25.593 -3.121 1.00 0.00 C ATOM 798 C THR A 81 -10.373 -24.092 -2.861 1.00 0.00 C ATOM 799 O THR A 81 -9.782 -23.554 -1.919 1.00 0.00 O ATOM 800 CB THR A 81 -11.464 -26.372 -2.641 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.482 -26.337 -1.224 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.469 -27.837 -3.080 1.00 0.00 C ATOM 0 H THR A 81 -8.925 -25.660 -1.488 1.00 0.00 H new ATOM 0 HA THR A 81 -10.094 -25.727 -4.195 1.00 0.00 H new ATOM 0 HB THR A 81 -12.338 -25.897 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.168 -26.952 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.370 -28.325 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.449 -27.891 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.591 -28.341 -2.676 1.00 0.00 H new ATOM 810 N LEU A 82 -11.212 -23.426 -3.663 1.00 0.00 N ATOM 811 CA LEU A 82 -11.596 -22.034 -3.442 1.00 0.00 C ATOM 812 C LEU A 82 -12.256 -21.915 -2.080 1.00 0.00 C ATOM 813 O LEU A 82 -11.937 -20.995 -1.339 1.00 0.00 O ATOM 814 CB LEU A 82 -12.581 -21.539 -4.526 1.00 0.00 C ATOM 815 CG LEU A 82 -12.017 -21.223 -5.925 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.880 -20.205 -5.848 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.534 -22.460 -6.681 1.00 0.00 C ATOM 0 H LEU A 82 -11.644 -23.843 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.698 -21.419 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.358 -22.295 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.066 -20.638 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.854 -20.803 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.504 -20.003 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.249 -19.280 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.075 -20.605 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.150 -22.163 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.742 -22.948 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.365 -23.153 -6.813 1.00 0.00 H new ATOM 829 N GLU A 83 -13.151 -22.852 -1.736 1.00 0.00 N ATOM 830 CA GLU A 83 -13.802 -22.813 -0.435 1.00 0.00 C ATOM 831 C GLU A 83 -12.746 -22.911 0.657 1.00 0.00 C ATOM 832 O GLU A 83 -12.786 -22.089 1.559 1.00 0.00 O ATOM 833 CB GLU A 83 -14.931 -23.854 -0.303 1.00 0.00 C ATOM 834 CG GLU A 83 -14.472 -25.311 -0.191 1.00 0.00 C ATOM 835 CD GLU A 83 -15.661 -26.274 -0.020 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.288 -26.668 -1.034 1.00 0.00 O ATOM 837 OE2 GLU A 83 -15.967 -26.640 1.142 1.00 0.00 O ATOM 0 H GLU A 83 -13.432 -23.630 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.312 -21.856 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.526 -23.610 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.588 -23.763 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.909 -25.584 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.795 -25.415 0.657 1.00 0.00 H new ATOM 844 N ALA A 84 -11.762 -23.820 0.575 1.00 0.00 N ATOM 845 CA ALA A 84 -10.771 -23.998 1.635 1.00 0.00 C ATOM 846 C ALA A 84 -9.921 -22.740 1.825 1.00 0.00 C ATOM 847 O ALA A 84 -9.664 -22.341 2.960 1.00 0.00 O ATOM 848 CB ALA A 84 -9.898 -25.212 1.328 1.00 0.00 C ATOM 0 H ALA A 84 -11.636 -24.444 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.297 -24.172 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.161 -25.340 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.523 -26.103 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.386 -25.061 0.378 1.00 0.00 H new ATOM 854 N TYR A 85 -9.533 -22.084 0.730 1.00 0.00 N ATOM 855 CA TYR A 85 -8.889 -20.780 0.794 1.00 0.00 C ATOM 856 C TYR A 85 -9.772 -19.789 1.565 1.00 0.00 C ATOM 857 O TYR A 85 -9.296 -19.136 2.495 1.00 0.00 O ATOM 858 CB TYR A 85 -8.567 -20.300 -0.625 1.00 0.00 C ATOM 859 CG TYR A 85 -8.159 -18.844 -0.675 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.862 -18.468 -0.284 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.079 -17.872 -1.101 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.477 -17.117 -0.287 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.706 -16.517 -1.101 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.405 -16.131 -0.697 1.00 0.00 C ATOM 865 OH TYR A 85 -7.055 -14.815 -0.701 1.00 0.00 O ATOM 0 H TYR A 85 -9.657 -22.442 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.948 -20.854 1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.764 -20.912 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.440 -20.450 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.155 -19.225 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.067 -18.164 -1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.481 -16.834 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.416 -15.765 -1.411 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.553 -14.346 -1.403 1.00 0.00 H new ATOM 875 N LEU A 86 -11.067 -19.712 1.237 1.00 0.00 N ATOM 876 CA LEU A 86 -12.000 -18.787 1.884 1.00 0.00 C ATOM 877 C LEU A 86 -12.275 -19.163 3.355 1.00 0.00 C ATOM 878 O LEU A 86 -12.409 -18.266 4.186 1.00 0.00 O ATOM 879 CB LEU A 86 -13.294 -18.721 1.056 1.00 0.00 C ATOM 880 CG LEU A 86 -13.116 -18.105 -0.344 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.235 -18.574 -1.274 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.098 -16.575 -0.257 1.00 0.00 C ATOM 0 H LEU A 86 -11.496 -20.290 0.515 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.545 -17.797 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.696 -19.729 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.034 -18.139 1.605 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.162 -18.438 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.098 -18.131 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.208 -19.661 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.198 -18.265 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.971 -16.155 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.038 -16.224 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.271 -16.256 0.378 1.00 0.00 H new ATOM 894 N ARG A 87 -12.309 -20.455 3.716 1.00 0.00 N ATOM 895 CA ARG A 87 -12.348 -20.914 5.122 1.00 0.00 C ATOM 896 C ARG A 87 -11.147 -20.354 5.890 1.00 0.00 C ATOM 897 O ARG A 87 -11.282 -20.014 7.061 1.00 0.00 O ATOM 898 CB ARG A 87 -12.296 -22.459 5.279 1.00 0.00 C ATOM 899 CG ARG A 87 -13.610 -23.270 5.217 1.00 0.00 C ATOM 900 CD ARG A 87 -14.115 -23.463 3.785 1.00 0.00 C ATOM 901 NE ARG A 87 -15.017 -24.616 3.561 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.188 -24.922 4.138 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.670 -24.250 5.182 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.891 -25.933 3.642 1.00 0.00 N ATOM 0 H ARG A 87 -12.310 -21.219 3.040 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.300 -20.555 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.636 -22.845 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.822 -22.675 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.453 -24.245 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.375 -22.761 5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.636 -22.556 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.252 -23.571 3.128 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.697 -25.282 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.143 -23.469 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.566 -24.517 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.537 -26.456 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.785 -26.187 4.062 1.00 0.00 H new ATOM 918 N SER A 88 -9.981 -20.285 5.249 1.00 0.00 N ATOM 919 CA SER A 88 -8.696 -19.982 5.874 1.00 0.00 C ATOM 920 C SER A 88 -8.437 -18.482 6.124 1.00 0.00 C ATOM 921 O SER A 88 -7.311 -18.118 6.469 1.00 0.00 O ATOM 922 CB SER A 88 -7.585 -20.650 5.060 1.00 0.00 C ATOM 923 OG SER A 88 -7.835 -22.047 4.962 1.00 0.00 O ATOM 0 H SER A 88 -9.903 -20.444 4.245 1.00 0.00 H new ATOM 0 HA SER A 88 -8.714 -20.397 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.535 -20.209 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.619 -20.476 5.534 1.00 0.00 H new ATOM 0 HG SER A 88 -8.480 -22.214 4.243 1.00 0.00 H new ATOM 929 N VAL A 89 -9.442 -17.608 5.984 1.00 0.00 N ATOM 930 CA VAL A 89 -9.332 -16.169 6.258 1.00 0.00 C ATOM 931 C VAL A 89 -10.461 -15.696 7.212 1.00 0.00 C ATOM 932 O VAL A 89 -11.056 -14.639 6.992 1.00 0.00 O ATOM 933 CB VAL A 89 -9.175 -15.443 4.888 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.279 -15.806 3.878 1.00 0.00 C ATOM 935 CG2 VAL A 89 -9.009 -13.918 4.972 1.00 0.00 C ATOM 0 H VAL A 89 -10.372 -17.886 5.671 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.443 -15.904 6.830 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.227 -15.832 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.111 -15.267 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.258 -16.879 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.251 -15.530 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.907 -13.507 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.884 -13.483 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.118 -13.680 5.553 1.00 0.00 H new ATOM 945 N PRO A 90 -10.786 -16.421 8.304 1.00 0.00 N ATOM 946 CA PRO A 90 -11.981 -16.136 9.102 1.00 0.00 C ATOM 947 C PRO A 90 -11.895 -14.819 9.893 1.00 0.00 C ATOM 948 O PRO A 90 -12.921 -14.302 10.343 1.00 0.00 O ATOM 949 CB PRO A 90 -12.137 -17.344 10.030 1.00 0.00 C ATOM 950 CG PRO A 90 -10.697 -17.792 10.271 1.00 0.00 C ATOM 951 CD PRO A 90 -10.006 -17.480 8.941 1.00 0.00 C ATOM 0 HA PRO A 90 -12.846 -15.993 8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.635 -17.074 10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.731 -18.132 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.240 -17.250 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.641 -18.853 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.977 -17.159 9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.966 -18.366 8.308 1.00 0.00 H new ATOM 959 N ALA A 91 -10.688 -14.259 10.075 1.00 0.00 N ATOM 960 CA ALA A 91 -10.487 -13.008 10.800 1.00 0.00 C ATOM 961 C ALA A 91 -10.787 -11.770 9.942 1.00 0.00 C ATOM 962 O ALA A 91 -10.806 -10.658 10.473 1.00 0.00 O ATOM 963 CB ALA A 91 -9.045 -12.964 11.324 1.00 0.00 C ATOM 0 H ALA A 91 -9.824 -14.669 9.719 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.192 -12.982 11.630 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.884 -12.033 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.875 -13.808 11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.351 -13.019 10.485 1.00 0.00 H new ATOM 969 N VAL A 92 -10.995 -11.938 8.629 1.00 0.00 N ATOM 970 CA VAL A 92 -11.143 -10.823 7.687 1.00 0.00 C ATOM 971 C VAL A 92 -12.321 -11.069 6.735 1.00 0.00 C ATOM 972 O VAL A 92 -12.905 -10.122 6.211 1.00 0.00 O ATOM 973 CB VAL A 92 -9.803 -10.608 6.932 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.816 -9.324 6.095 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.575 -10.545 7.853 1.00 0.00 C ATOM 0 H VAL A 92 -11.065 -12.856 8.190 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.373 -9.907 8.231 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.718 -11.486 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.860 -9.213 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.617 -9.378 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.981 -8.466 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.678 -10.393 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.688 -9.717 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.487 -11.480 8.407 1.00 0.00 H new ATOM 985 N VAL A 93 -12.724 -12.322 6.542 1.00 0.00 N ATOM 986 CA VAL A 93 -13.715 -12.766 5.574 1.00 0.00 C ATOM 987 C VAL A 93 -14.628 -13.763 6.297 1.00 0.00 C ATOM 988 O VAL A 93 -14.303 -14.274 7.367 1.00 0.00 O ATOM 989 CB VAL A 93 -12.949 -13.337 4.354 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.745 -14.194 3.354 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.248 -12.196 3.594 1.00 0.00 C ATOM 0 H VAL A 93 -12.345 -13.095 7.089 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.358 -11.975 5.187 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.245 -14.036 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.085 -14.526 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.158 -15.062 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.557 -13.601 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.712 -12.605 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.992 -11.479 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.543 -11.695 4.258 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.801 -14.004 5.724 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.881 -14.805 6.295 1.00 0.00 C ATOM 1003 C ARG A 94 -17.501 -15.564 5.137 1.00 0.00 C ATOM 1004 O ARG A 94 -17.433 -15.096 4.003 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.851 -13.843 7.016 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.248 -14.403 7.361 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.031 -13.476 8.302 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.099 -12.081 7.811 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.374 -11.002 8.559 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.913 -11.131 9.769 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.104 -9.791 8.084 1.00 0.00 N ATOM 0 H ARG A 94 -16.038 -13.629 4.805 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.559 -15.532 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.378 -13.512 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.982 -12.960 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.816 -14.548 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.140 -15.382 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.043 -13.862 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.563 -13.487 9.287 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.921 -11.927 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.122 -12.059 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.117 -10.302 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.691 -9.687 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.310 -8.965 8.646 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.112 -16.714 5.390 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.728 -17.527 4.347 1.00 0.00 C ATOM 1027 C ILE A 95 -20.002 -18.169 4.897 1.00 0.00 C ATOM 1028 O ILE A 95 -20.108 -18.430 6.098 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.736 -18.584 3.803 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.211 -19.544 4.888 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.552 -17.935 3.062 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.264 -20.626 4.357 1.00 0.00 C ATOM 0 H ILE A 95 -18.195 -17.111 6.326 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.996 -16.891 3.503 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.314 -19.177 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.692 -18.964 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.059 -20.025 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.881 -18.713 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.925 -17.353 2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.011 -17.280 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.938 -21.261 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.784 -21.232 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.395 -20.155 3.897 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.944 -18.462 4.000 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.150 -19.219 4.282 1.00 0.00 C ATOM 1046 C GLU A 96 -22.250 -20.302 3.214 1.00 0.00 C ATOM 1047 O GLU A 96 -22.570 -20.019 2.057 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.384 -18.297 4.281 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.430 -17.306 5.458 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.532 -17.971 6.852 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.996 -19.132 6.963 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -23.151 -17.321 7.854 1.00 0.00 O ATOM 0 H GLU A 96 -20.880 -18.166 3.026 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.110 -19.672 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.404 -17.736 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.284 -18.912 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.534 -16.686 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.283 -16.641 5.323 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.926 -21.544 3.581 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.178 -22.710 2.747 1.00 0.00 C ATOM 1061 C ALA A 97 -23.671 -23.032 2.865 1.00 0.00 C ATOM 1062 O ALA A 97 -24.170 -23.323 3.956 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.302 -23.885 3.194 1.00 0.00 C ATOM 0 H ALA A 97 -21.479 -21.765 4.471 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.924 -22.515 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.502 -24.749 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.251 -23.608 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.529 -24.134 4.231 1.00 0.00 H new ATOM 1069 N SER A 98 -24.385 -22.915 1.749 1.00 0.00 N ATOM 1070 CA SER A 98 -25.804 -23.189 1.652 1.00 0.00 C ATOM 1071 C SER A 98 -26.041 -24.701 1.725 1.00 0.00 C ATOM 1072 O SER A 98 -25.196 -25.516 1.336 1.00 0.00 O ATOM 1073 CB SER A 98 -26.329 -22.585 0.341 1.00 0.00 C ATOM 1074 OG SER A 98 -27.723 -22.808 0.198 1.00 0.00 O ATOM 0 H SER A 98 -23.974 -22.618 0.864 1.00 0.00 H new ATOM 0 HA SER A 98 -26.346 -22.735 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.125 -21.514 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.799 -23.025 -0.504 1.00 0.00 H new ATOM 0 HG SER A 98 -28.033 -22.412 -0.643 1.00 0.00 H new ATOM 1080 N ARG A 99 -27.259 -25.070 2.127 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.766 -26.444 2.075 1.00 0.00 C ATOM 1082 C ARG A 99 -27.785 -27.003 0.646 1.00 0.00 C ATOM 1083 O ARG A 99 -27.814 -28.221 0.476 1.00 0.00 O ATOM 1084 CB ARG A 99 -29.130 -26.559 2.794 1.00 0.00 C ATOM 1085 CG ARG A 99 -30.256 -25.572 2.405 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.839 -25.701 0.990 1.00 0.00 C ATOM 1087 NE ARG A 99 -31.399 -27.041 0.727 1.00 0.00 N ATOM 1088 CZ ARG A 99 -31.574 -27.613 -0.471 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -31.197 -27.000 -1.592 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -32.139 -28.816 -0.544 1.00 0.00 N ATOM 0 H ARG A 99 -27.936 -24.408 2.506 1.00 0.00 H new ATOM 0 HA ARG A 99 -27.069 -27.078 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -29.505 -27.570 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -28.951 -26.452 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -31.071 -25.690 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -29.873 -24.558 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -31.619 -24.952 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -30.059 -25.487 0.259 1.00 0.00 H new ATOM 0 HE ARG A 99 -31.682 -27.587 1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -30.766 -26.077 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -31.340 -27.454 -2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -32.434 -29.293 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -32.277 -29.260 -1.452 1.00 0.00 H new ATOM 1104 N SER A 100 -27.741 -26.144 -0.375 1.00 0.00 N ATOM 1105 CA SER A 100 -27.673 -26.538 -1.780 1.00 0.00 C ATOM 1106 C SER A 100 -26.279 -27.041 -2.196 1.00 0.00 C ATOM 1107 O SER A 100 -26.118 -27.495 -3.331 1.00 0.00 O ATOM 1108 CB SER A 100 -28.107 -25.345 -2.641 1.00 0.00 C ATOM 1109 OG SER A 100 -29.352 -24.833 -2.161 1.00 0.00 O ATOM 0 H SER A 100 -27.752 -25.133 -0.242 1.00 0.00 H new ATOM 0 HA SER A 100 -28.347 -27.381 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.346 -24.565 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.206 -25.652 -3.682 1.00 0.00 H new ATOM 0 HG SER A 100 -29.626 -24.070 -2.712 1.00 0.00 H new ATOM 1115 N GLY A 101 -25.274 -26.976 -1.309 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.911 -27.394 -1.621 1.00 0.00 C ATOM 1117 C GLY A 101 -23.189 -26.361 -2.487 1.00 0.00 C ATOM 1118 O GLY A 101 -22.376 -26.720 -3.342 1.00 0.00 O ATOM 0 H GLY A 101 -25.390 -26.631 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.356 -27.546 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.934 -28.352 -2.140 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.496 -25.080 -2.273 1.00 0.00 N ATOM 1123 CA GLU A 102 -22.793 -23.932 -2.825 1.00 0.00 C ATOM 1124 C GLU A 102 -22.360 -23.082 -1.625 1.00 0.00 C ATOM 1125 O GLU A 102 -22.861 -23.292 -0.521 1.00 0.00 O ATOM 1126 CB GLU A 102 -23.712 -23.148 -3.784 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.096 -23.960 -5.029 1.00 0.00 C ATOM 1128 CD GLU A 102 -24.961 -23.130 -5.993 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -24.397 -22.432 -6.872 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -26.212 -23.167 -5.884 1.00 0.00 O ATOM 0 H GLU A 102 -24.280 -24.807 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.925 -24.230 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.617 -22.853 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.211 -22.231 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -23.193 -24.292 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -24.640 -24.855 -4.728 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.465 -22.110 -1.805 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.011 -21.237 -0.728 1.00 0.00 C ATOM 1139 C ILE A 103 -20.991 -19.804 -1.236 1.00 0.00 C ATOM 1140 O ILE A 103 -20.556 -19.543 -2.357 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.687 -21.754 -0.096 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.030 -20.749 0.874 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.644 -22.330 -1.061 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.077 -19.731 0.221 1.00 0.00 C ATOM 0 H ILE A 103 -21.034 -21.907 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.707 -21.252 0.110 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.045 -22.609 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.817 -20.203 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.477 -21.307 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.769 -22.655 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.071 -23.181 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.350 -21.564 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.669 -19.072 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.263 -20.260 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.624 -19.139 -0.513 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.461 -18.895 -0.387 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.500 -17.461 -0.602 1.00 0.00 C ATOM 1158 C VAL A 104 -20.437 -16.863 0.319 1.00 0.00 C ATOM 1159 O VAL A 104 -20.300 -17.295 1.463 1.00 0.00 O ATOM 1160 CB VAL A 104 -22.914 -16.918 -0.279 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.063 -15.479 -0.789 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.043 -17.778 -0.881 1.00 0.00 C ATOM 0 H VAL A 104 -21.846 -19.160 0.520 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.294 -17.194 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.011 -16.953 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.062 -15.111 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.320 -14.843 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -22.913 -15.458 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.009 -17.346 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.940 -17.806 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.980 -18.791 -0.484 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.673 -15.896 -0.181 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.559 -15.281 0.531 1.00 0.00 C ATOM 1174 C CYS A 105 -18.954 -13.866 0.946 1.00 0.00 C ATOM 1175 O CYS A 105 -19.658 -13.198 0.190 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.324 -15.228 -0.392 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.166 -16.730 -1.404 1.00 0.00 S ATOM 0 H CYS A 105 -19.815 -15.510 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.317 -15.868 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.396 -14.357 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.425 -15.101 0.212 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.054 -16.709 -2.354 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.436 -13.392 2.083 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.725 -12.091 2.685 1.00 0.00 C ATOM 1185 C TYR A 106 -17.472 -11.521 3.341 1.00 0.00 C ATOM 1186 O TYR A 106 -16.503 -12.245 3.568 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.791 -12.266 3.766 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.141 -12.684 3.250 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.977 -11.725 2.653 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.555 -14.024 3.370 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.269 -12.090 2.244 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.830 -14.400 2.928 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.705 -13.431 2.377 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.964 -13.769 1.972 1.00 0.00 O ATOM 0 H TYR A 106 -17.771 -13.934 2.635 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.071 -11.413 1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.444 -13.010 4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.898 -11.326 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.627 -10.713 2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.892 -14.760 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.932 -11.347 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.146 -15.430 3.007 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.112 -14.725 2.128 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.494 -10.234 3.692 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.401 -9.608 4.433 1.00 0.00 C ATOM 1206 C ALA A 107 -16.644 -9.708 5.938 1.00 0.00 C ATOM 1207 O ALA A 107 -17.769 -9.966 6.373 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.282 -8.133 4.033 1.00 0.00 C ATOM 0 H ALA A 107 -18.264 -9.602 3.472 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.476 -10.131 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.466 -7.670 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.081 -8.061 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.215 -7.617 4.262 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.598 -9.423 6.710 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.665 -9.284 8.168 1.00 0.00 C ATOM 1216 C VAL A 108 -14.780 -8.134 8.687 1.00 0.00 C ATOM 1217 O VAL A 108 -15.143 -7.518 9.695 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.373 -10.660 8.825 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.309 -10.673 9.933 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.668 -11.246 9.400 1.00 0.00 C ATOM 0 H VAL A 108 -14.660 -9.279 6.335 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.673 -8.991 8.461 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.962 -11.259 8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.193 -11.688 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.358 -10.327 9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.620 -10.014 10.744 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.458 -12.212 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.073 -10.567 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.395 -11.376 8.599 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.669 -7.802 8.017 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.788 -6.683 8.369 1.00 0.00 C ATOM 1232 C ALA A 109 -12.185 -6.096 7.088 1.00 0.00 C ATOM 1233 O ALA A 109 -12.804 -6.313 6.024 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.702 -7.154 9.353 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.134 -5.419 7.146 1.00 0.00 O ATOM 0 H ALA A 109 -13.351 -8.317 7.196 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.358 -5.899 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.054 -6.316 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.173 -7.537 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.110 -7.943 8.890 1.00 0.00 H new TER 1241 ALA A 109