USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 592 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 71 THR OG1 : rot 180:sc=-0.00569 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 MET CE :methyl -106:sc= -1.94! (180deg=-4.92!) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.3! C(o=-5.2!,f=-6.4!) USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 36 MET CE :methyl 155:sc= -0.655 (180deg=-2.84!) USER MOD Set 4.1: A 19 MET CE :methyl -124:sc= -0.271 (180deg=-1.47) USER MOD Set 4.2: A 22 TYR OH : rot 130:sc= -0.171 USER MOD Set 4.3: A 55 HIS :FLIP no HD1:sc= -0.0732 F(o=-2.1,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0437 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-6.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -6:sc= 0.465! USER MOD Single : A 40 MET CE :methyl -139:sc= -3.99 (180deg=-7.16!) USER MOD Single : A 41 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : A 43 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.017) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -1.33 (180deg=-1.74!) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0.205 (180deg=0.197) USER MOD Single : A 62 SER OG : rot 83:sc= -0.824! USER MOD Single : A 64 GLN : amide:sc= -0.0342 K(o=-0.034,f=-1.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 146:sc= -3.81! (180deg=-5.49!) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.596 16.401 7.438 1.00 0.00 N ATOM 2 CA GLY A 1 9.505 15.724 6.532 1.00 0.00 C ATOM 3 C GLY A 1 9.343 16.186 5.097 1.00 0.00 C ATOM 4 O GLY A 1 8.289 16.696 4.717 1.00 0.00 O ATOM 0 H1 GLY A 1 9.093 17.185 7.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.787 16.776 6.902 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.255 15.729 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.532 15.900 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.334 14.649 6.586 1.00 0.00 H new ATOM 8 N SER A 2 10.391 16.010 4.299 1.00 0.00 N ATOM 9 CA SER A 2 10.363 16.418 2.899 1.00 0.00 C ATOM 10 C SER A 2 10.206 15.208 1.984 1.00 0.00 C ATOM 11 O SER A 2 10.527 14.082 2.364 1.00 0.00 O ATOM 12 CB SER A 2 11.642 17.179 2.542 1.00 0.00 C ATOM 13 OG SER A 2 12.779 16.338 2.635 1.00 0.00 O ATOM 0 H SER A 2 11.270 15.588 4.598 1.00 0.00 H new ATOM 0 HA SER A 2 9.505 17.075 2.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.562 17.577 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.761 18.031 3.211 1.00 0.00 H new ATOM 0 HG SER A 2 13.583 16.847 2.400 1.00 0.00 H new ATOM 19 N SER A 3 9.708 15.449 0.775 1.00 0.00 N ATOM 20 CA SER A 3 9.504 14.379 -0.195 1.00 0.00 C ATOM 21 C SER A 3 10.407 14.568 -1.410 1.00 0.00 C ATOM 22 O SER A 3 10.213 15.486 -2.205 1.00 0.00 O ATOM 23 CB SER A 3 8.040 14.335 -0.636 1.00 0.00 C ATOM 24 OG SER A 3 7.210 13.840 0.401 1.00 0.00 O ATOM 0 H SER A 3 9.438 16.375 0.444 1.00 0.00 H new ATOM 0 HA SER A 3 9.761 13.434 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.713 15.335 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.941 13.703 -1.518 1.00 0.00 H new ATOM 0 HG SER A 3 6.279 13.823 0.095 1.00 0.00 H new ATOM 30 N GLY A 4 11.396 13.690 -1.546 1.00 0.00 N ATOM 31 CA GLY A 4 12.315 13.776 -2.666 1.00 0.00 C ATOM 32 C GLY A 4 11.831 12.999 -3.875 1.00 0.00 C ATOM 33 O GLY A 4 11.604 13.574 -4.940 1.00 0.00 O ATOM 0 H GLY A 4 11.577 12.921 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.451 14.822 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.291 13.397 -2.361 1.00 0.00 H new ATOM 37 N SER A 5 11.674 11.690 -3.711 1.00 0.00 N ATOM 38 CA SER A 5 11.219 10.832 -4.799 1.00 0.00 C ATOM 39 C SER A 5 9.824 10.284 -4.512 1.00 0.00 C ATOM 40 O SER A 5 9.579 9.705 -3.454 1.00 0.00 O ATOM 41 CB SER A 5 12.200 9.678 -5.011 1.00 0.00 C ATOM 42 OG SER A 5 11.956 9.021 -6.243 1.00 0.00 O ATOM 0 H SER A 5 11.855 11.200 -2.835 1.00 0.00 H new ATOM 0 HA SER A 5 11.174 11.432 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.222 10.057 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.111 8.965 -4.191 1.00 0.00 H new ATOM 0 HG SER A 5 12.597 8.289 -6.356 1.00 0.00 H new ATOM 48 N SER A 6 8.914 10.472 -5.463 1.00 0.00 N ATOM 49 CA SER A 6 7.543 10.000 -5.311 1.00 0.00 C ATOM 50 C SER A 6 7.322 8.711 -6.097 1.00 0.00 C ATOM 51 O SER A 6 7.379 8.703 -7.326 1.00 0.00 O ATOM 52 CB SER A 6 6.558 11.072 -5.781 1.00 0.00 C ATOM 53 OG SER A 6 5.246 10.796 -5.321 1.00 0.00 O ATOM 0 H SER A 6 9.101 10.947 -6.346 1.00 0.00 H new ATOM 0 HA SER A 6 7.370 9.795 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.877 12.048 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.562 11.122 -6.870 1.00 0.00 H new ATOM 0 HG SER A 6 4.636 11.496 -5.633 1.00 0.00 H new ATOM 59 N GLY A 7 7.070 7.622 -5.377 1.00 0.00 N ATOM 60 CA GLY A 7 6.845 6.342 -6.022 1.00 0.00 C ATOM 61 C GLY A 7 7.912 5.322 -5.677 1.00 0.00 C ATOM 62 O GLY A 7 8.996 5.326 -6.259 1.00 0.00 O ATOM 0 H GLY A 7 7.018 7.604 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.869 5.956 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.818 6.483 -7.102 1.00 0.00 H new ATOM 66 N LEU A 8 7.605 4.447 -4.725 1.00 0.00 N ATOM 67 CA LEU A 8 8.547 3.418 -4.301 1.00 0.00 C ATOM 68 C LEU A 8 8.060 2.032 -4.711 1.00 0.00 C ATOM 69 O LEU A 8 7.010 1.890 -5.339 1.00 0.00 O ATOM 70 CB LEU A 8 8.746 3.474 -2.784 1.00 0.00 C ATOM 71 CG LEU A 8 7.487 3.218 -1.956 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.199 1.728 -1.868 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.634 3.817 -0.566 1.00 0.00 C ATOM 0 H LEU A 8 6.712 4.430 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 8 9.501 3.608 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.502 2.740 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.142 4.455 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 8 6.645 3.701 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.299 1.566 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.050 1.326 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.041 1.222 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.729 3.626 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.487 3.363 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.791 4.892 -0.648 1.00 0.00 H new ATOM 85 N THR A 9 8.830 1.010 -4.351 1.00 0.00 N ATOM 86 CA THR A 9 8.479 -0.366 -4.682 1.00 0.00 C ATOM 87 C THR A 9 7.959 -1.110 -3.458 1.00 0.00 C ATOM 88 O THR A 9 8.374 -0.838 -2.331 1.00 0.00 O ATOM 89 CB THR A 9 9.685 -1.130 -5.260 1.00 0.00 C ATOM 90 OG1 THR A 9 9.273 -2.424 -5.714 1.00 0.00 O ATOM 91 CG2 THR A 9 10.782 -1.278 -4.217 1.00 0.00 C ATOM 0 H THR A 9 9.701 1.109 -3.830 1.00 0.00 H new ATOM 0 HA THR A 9 7.693 -0.319 -5.436 1.00 0.00 H new ATOM 0 HB THR A 9 10.080 -0.559 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.045 -2.903 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.623 -1.821 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.114 -0.291 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.396 -1.829 -3.359 1.00 0.00 H new ATOM 99 N VAL A 10 7.050 -2.053 -3.686 1.00 0.00 N ATOM 100 CA VAL A 10 6.475 -2.839 -2.600 1.00 0.00 C ATOM 101 C VAL A 10 7.537 -3.216 -1.573 1.00 0.00 C ATOM 102 O VAL A 10 7.227 -3.469 -0.409 1.00 0.00 O ATOM 103 CB VAL A 10 5.809 -4.123 -3.129 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.387 -5.020 -1.976 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.619 -3.780 -4.012 1.00 0.00 C ATOM 0 H VAL A 10 6.696 -2.291 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 10 5.718 -2.216 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 10 6.536 -4.667 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.918 -5.922 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.263 -5.293 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.676 -4.489 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.160 -4.699 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.888 -3.214 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.955 -3.181 -4.858 1.00 0.00 H new ATOM 115 N GLY A 11 8.791 -3.252 -2.012 1.00 0.00 N ATOM 116 CA GLY A 11 9.880 -3.598 -1.117 1.00 0.00 C ATOM 117 C GLY A 11 10.267 -2.453 -0.203 1.00 0.00 C ATOM 118 O GLY A 11 10.403 -2.634 1.007 1.00 0.00 O ATOM 0 H GLY A 11 9.072 -3.048 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.590 -4.458 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.747 -3.898 -1.705 1.00 0.00 H new ATOM 122 N ASP A 12 10.447 -1.271 -0.782 1.00 0.00 N ATOM 123 CA ASP A 12 10.821 -0.091 -0.012 1.00 0.00 C ATOM 124 C ASP A 12 9.872 0.113 1.165 1.00 0.00 C ATOM 125 O ASP A 12 10.299 0.156 2.319 1.00 0.00 O ATOM 126 CB ASP A 12 10.819 1.150 -0.905 1.00 0.00 C ATOM 127 CG ASP A 12 12.170 1.409 -1.541 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.974 0.457 -1.632 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.425 2.562 -1.947 1.00 0.00 O ATOM 0 H ASP A 12 10.340 -1.105 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 12 11.827 -0.246 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.070 1.030 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.526 2.018 -0.314 1.00 0.00 H new ATOM 134 N TRP A 13 8.585 0.239 0.866 1.00 0.00 N ATOM 135 CA TRP A 13 7.575 0.439 1.899 1.00 0.00 C ATOM 136 C TRP A 13 7.599 -0.700 2.912 1.00 0.00 C ATOM 137 O TRP A 13 7.843 -0.483 4.099 1.00 0.00 O ATOM 138 CB TRP A 13 6.186 0.549 1.270 1.00 0.00 C ATOM 139 CG TRP A 13 5.121 -0.159 2.052 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.685 0.151 3.308 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.362 -1.297 1.630 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.699 -0.726 3.693 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.482 -1.623 2.681 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.337 -2.070 0.467 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.591 -2.690 2.601 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.452 -3.129 0.389 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.588 -3.430 1.450 1.00 0.00 C ATOM 0 H TRP A 13 8.215 0.206 -0.084 1.00 0.00 H new ATOM 0 HA TRP A 13 7.804 1.369 2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.919 1.602 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.219 0.139 0.261 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.060 0.965 3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.209 -0.711 4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.998 -1.844 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.926 -2.925 3.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.426 -3.735 -0.505 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.906 -4.262 1.358 1.00 0.00 H new ATOM 158 N LEU A 14 7.345 -1.914 2.436 1.00 0.00 N ATOM 159 CA LEU A 14 7.338 -3.089 3.301 1.00 0.00 C ATOM 160 C LEU A 14 8.565 -3.106 4.206 1.00 0.00 C ATOM 161 O LEU A 14 8.463 -3.372 5.404 1.00 0.00 O ATOM 162 CB LEU A 14 7.291 -4.367 2.460 1.00 0.00 C ATOM 163 CG LEU A 14 5.916 -4.719 1.894 1.00 0.00 C ATOM 164 CD1 LEU A 14 6.030 -5.835 0.868 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.966 -5.117 3.014 1.00 0.00 C ATOM 0 H LEU A 14 7.141 -2.111 1.456 1.00 0.00 H new ATOM 0 HA LEU A 14 6.448 -3.042 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.992 -4.265 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.639 -5.199 3.072 1.00 0.00 H new ATOM 0 HG LEU A 14 5.512 -3.837 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.041 -6.072 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.676 -5.514 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.455 -6.721 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.991 -5.365 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.366 -5.985 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.860 -4.287 3.713 1.00 0.00 H new ATOM 177 N ASP A 15 9.725 -2.820 3.625 1.00 0.00 N ATOM 178 CA ASP A 15 10.974 -2.801 4.378 1.00 0.00 C ATOM 179 C ASP A 15 10.828 -1.974 5.651 1.00 0.00 C ATOM 180 O ASP A 15 11.267 -2.386 6.725 1.00 0.00 O ATOM 181 CB ASP A 15 12.105 -2.238 3.516 1.00 0.00 C ATOM 182 CG ASP A 15 13.476 -2.617 4.042 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.932 -1.985 5.018 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.093 -3.544 3.477 1.00 0.00 O ATOM 0 H ASP A 15 9.827 -2.598 2.635 1.00 0.00 H new ATOM 0 HA ASP A 15 11.217 -3.826 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.997 -2.604 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.022 -1.152 3.476 1.00 0.00 H new ATOM 189 N SER A 16 10.209 -0.805 5.524 1.00 0.00 N ATOM 190 CA SER A 16 10.009 0.083 6.664 1.00 0.00 C ATOM 191 C SER A 16 9.372 -0.666 7.830 1.00 0.00 C ATOM 192 O SER A 16 9.804 -0.535 8.976 1.00 0.00 O ATOM 193 CB SER A 16 9.131 1.270 6.265 1.00 0.00 C ATOM 194 OG SER A 16 9.350 2.377 7.121 1.00 0.00 O ATOM 0 H SER A 16 9.837 -0.450 4.643 1.00 0.00 H new ATOM 0 HA SER A 16 10.984 0.452 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.345 1.555 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.081 0.979 6.303 1.00 0.00 H new ATOM 0 HG SER A 16 8.778 3.123 6.844 1.00 0.00 H new ATOM 200 N ILE A 17 8.343 -1.451 7.530 1.00 0.00 N ATOM 201 CA ILE A 17 7.647 -2.222 8.553 1.00 0.00 C ATOM 202 C ILE A 17 8.283 -3.596 8.734 1.00 0.00 C ATOM 203 O ILE A 17 7.712 -4.475 9.378 1.00 0.00 O ATOM 204 CB ILE A 17 6.157 -2.400 8.206 1.00 0.00 C ATOM 205 CG1 ILE A 17 6.001 -3.282 6.966 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.499 -1.046 7.986 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.562 -3.615 6.638 1.00 0.00 C ATOM 0 H ILE A 17 7.973 -1.570 6.587 1.00 0.00 H new ATOM 0 HA ILE A 17 7.731 -1.660 9.483 1.00 0.00 H new ATOM 0 HB ILE A 17 5.661 -2.892 9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.452 -2.777 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.554 -4.209 7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.446 -1.188 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.583 -0.449 8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.995 -0.529 7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.528 -4.243 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.112 -4.148 7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.008 -2.694 6.454 1.00 0.00 H new ATOM 219 N ARG A 18 9.469 -3.772 8.162 1.00 0.00 N ATOM 220 CA ARG A 18 10.184 -5.039 8.260 1.00 0.00 C ATOM 221 C ARG A 18 9.363 -6.175 7.656 1.00 0.00 C ATOM 222 O ARG A 18 9.376 -7.298 8.158 1.00 0.00 O ATOM 223 CB ARG A 18 10.510 -5.353 9.722 1.00 0.00 C ATOM 224 CG ARG A 18 11.797 -4.708 10.210 1.00 0.00 C ATOM 225 CD ARG A 18 13.016 -5.521 9.806 1.00 0.00 C ATOM 226 NE ARG A 18 13.519 -5.136 8.490 1.00 0.00 N ATOM 227 CZ ARG A 18 14.349 -4.119 8.289 1.00 0.00 C ATOM 228 NH1 ARG A 18 14.768 -3.389 9.313 1.00 0.00 N ATOM 229 NH2 ARG A 18 14.762 -3.831 7.061 1.00 0.00 N ATOM 0 H ARG A 18 9.955 -3.053 7.626 1.00 0.00 H new ATOM 0 HA ARG A 18 11.114 -4.947 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.684 -5.018 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.585 -6.433 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.878 -3.701 9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.767 -4.610 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.803 -5.387 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.760 -6.580 9.800 1.00 0.00 H new ATOM 0 HE ARG A 18 13.216 -5.678 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.453 -3.608 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.406 -2.608 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.442 -4.391 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.399 -3.050 6.907 1.00 0.00 H new ATOM 243 N MET A 19 8.650 -5.873 6.576 1.00 0.00 N ATOM 244 CA MET A 19 7.823 -6.869 5.904 1.00 0.00 C ATOM 245 C MET A 19 8.287 -7.079 4.466 1.00 0.00 C ATOM 246 O MET A 19 7.736 -7.905 3.740 1.00 0.00 O ATOM 247 CB MET A 19 6.355 -6.440 5.921 1.00 0.00 C ATOM 248 CG MET A 19 5.728 -6.473 7.305 1.00 0.00 C ATOM 249 SD MET A 19 5.373 -8.149 7.867 1.00 0.00 S ATOM 250 CE MET A 19 6.509 -8.292 9.245 1.00 0.00 C ATOM 0 H MET A 19 8.628 -4.948 6.148 1.00 0.00 H new ATOM 0 HA MET A 19 7.924 -7.812 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.276 -5.430 5.519 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.787 -7.092 5.258 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.399 -5.990 8.015 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.805 -5.894 7.295 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.153 -9.159 9.097 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.121 -7.392 9.307 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.945 -8.412 10.170 1.00 0.00 H new ATOM 260 N GLY A 20 9.304 -6.324 4.060 1.00 0.00 N ATOM 261 CA GLY A 20 9.824 -6.443 2.711 1.00 0.00 C ATOM 262 C GLY A 20 10.134 -7.878 2.333 1.00 0.00 C ATOM 263 O GLY A 20 10.237 -8.207 1.151 1.00 0.00 O ATOM 0 H GLY A 20 9.777 -5.632 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.098 -6.034 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.729 -5.843 2.620 1.00 0.00 H new ATOM 267 N ARG A 21 10.285 -8.733 3.339 1.00 0.00 N ATOM 268 CA ARG A 21 10.588 -10.140 3.106 1.00 0.00 C ATOM 269 C ARG A 21 9.473 -10.812 2.311 1.00 0.00 C ATOM 270 O ARG A 21 9.705 -11.794 1.604 1.00 0.00 O ATOM 271 CB ARG A 21 10.790 -10.867 4.437 1.00 0.00 C ATOM 272 CG ARG A 21 9.496 -11.134 5.187 1.00 0.00 C ATOM 273 CD ARG A 21 9.763 -11.692 6.577 1.00 0.00 C ATOM 274 NE ARG A 21 9.949 -10.634 7.565 1.00 0.00 N ATOM 275 CZ ARG A 21 9.836 -10.823 8.875 1.00 0.00 C ATOM 276 NH1 ARG A 21 9.541 -12.025 9.351 1.00 0.00 N ATOM 277 NH2 ARG A 21 10.020 -9.810 9.712 1.00 0.00 N ATOM 0 H ARG A 21 10.203 -8.476 4.323 1.00 0.00 H new ATOM 0 HA ARG A 21 11.509 -10.196 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.294 -11.815 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.451 -10.273 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.924 -10.210 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.885 -11.838 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.930 -12.327 6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.652 -12.323 6.550 1.00 0.00 H new ATOM 0 HE ARG A 21 10.178 -9.698 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.400 -12.807 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.455 -12.168 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.249 -8.884 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.933 -9.957 10.718 1.00 0.00 H new ATOM 291 N TYR A 22 8.263 -10.278 2.432 1.00 0.00 N ATOM 292 CA TYR A 22 7.111 -10.828 1.727 1.00 0.00 C ATOM 293 C TYR A 22 6.942 -10.169 0.362 1.00 0.00 C ATOM 294 O TYR A 22 6.150 -10.622 -0.465 1.00 0.00 O ATOM 295 CB TYR A 22 5.841 -10.639 2.558 1.00 0.00 C ATOM 296 CG TYR A 22 5.692 -11.647 3.675 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.624 -13.009 3.404 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.619 -11.239 5.001 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.488 -13.933 4.421 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.484 -12.157 6.024 1.00 0.00 C ATOM 301 CZ TYR A 22 5.419 -13.503 5.730 1.00 0.00 C ATOM 302 OH TYR A 22 5.283 -14.420 6.746 1.00 0.00 O ATOM 0 H TYR A 22 8.054 -9.465 3.012 1.00 0.00 H new ATOM 0 HA TYR A 22 7.284 -11.894 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.841 -9.635 2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.974 -10.706 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.678 -13.350 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.669 -10.186 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.436 -14.987 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.430 -11.822 7.049 1.00 0.00 H new ATOM 0 HH TYR A 22 5.955 -14.244 7.437 1.00 0.00 H new ATOM 312 N ARG A 23 7.692 -9.096 0.133 1.00 0.00 N ATOM 313 CA ARG A 23 7.626 -8.373 -1.131 1.00 0.00 C ATOM 314 C ARG A 23 7.420 -9.334 -2.297 1.00 0.00 C ATOM 315 O ARG A 23 6.428 -9.244 -3.022 1.00 0.00 O ATOM 316 CB ARG A 23 8.905 -7.560 -1.346 1.00 0.00 C ATOM 317 CG ARG A 23 8.812 -6.571 -2.496 1.00 0.00 C ATOM 318 CD ARG A 23 10.162 -6.364 -3.163 1.00 0.00 C ATOM 319 NE ARG A 23 10.029 -5.815 -4.510 1.00 0.00 N ATOM 320 CZ ARG A 23 9.574 -6.511 -5.546 1.00 0.00 C ATOM 321 NH1 ARG A 23 9.211 -7.776 -5.390 1.00 0.00 N ATOM 322 NH2 ARG A 23 9.482 -5.940 -6.740 1.00 0.00 N ATOM 0 H ARG A 23 8.352 -8.708 0.807 1.00 0.00 H new ATOM 0 HA ARG A 23 6.775 -7.694 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.139 -7.018 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.733 -8.244 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.093 -6.933 -3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.437 -5.616 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.767 -5.691 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.693 -7.315 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 23 10.300 -4.844 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.281 -8.217 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.862 -8.308 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.761 -4.966 -6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.133 -6.475 -7.535 1.00 0.00 H new ATOM 336 N ASP A 24 8.362 -10.253 -2.473 1.00 0.00 N ATOM 337 CA ASP A 24 8.284 -11.232 -3.551 1.00 0.00 C ATOM 338 C ASP A 24 6.864 -11.772 -3.693 1.00 0.00 C ATOM 339 O ASP A 24 6.377 -11.983 -4.805 1.00 0.00 O ATOM 340 CB ASP A 24 9.257 -12.384 -3.295 1.00 0.00 C ATOM 341 CG ASP A 24 9.794 -12.986 -4.579 1.00 0.00 C ATOM 342 OD1 ASP A 24 9.119 -12.857 -5.621 1.00 0.00 O ATOM 343 OD2 ASP A 24 10.889 -13.586 -4.541 1.00 0.00 O ATOM 0 H ASP A 24 9.189 -10.341 -1.883 1.00 0.00 H new ATOM 0 HA ASP A 24 8.559 -10.734 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.089 -12.025 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.754 -13.159 -2.717 1.00 0.00 H new ATOM 348 N HIS A 25 6.205 -11.994 -2.561 1.00 0.00 N ATOM 349 CA HIS A 25 4.840 -12.509 -2.559 1.00 0.00 C ATOM 350 C HIS A 25 3.906 -11.577 -3.325 1.00 0.00 C ATOM 351 O HIS A 25 3.298 -11.971 -4.320 1.00 0.00 O ATOM 352 CB HIS A 25 4.341 -12.685 -1.125 1.00 0.00 C ATOM 353 CG HIS A 25 5.206 -13.584 -0.296 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.746 -14.749 0.281 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.511 -13.483 0.051 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.730 -15.325 0.948 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.812 -14.577 0.824 1.00 0.00 N ATOM 0 H HIS A 25 6.594 -11.826 -1.633 1.00 0.00 H new ATOM 0 HA HIS A 25 4.843 -13.479 -3.056 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.283 -11.707 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.329 -13.089 -1.148 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.795 -15.109 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.189 -12.690 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.662 -16.250 1.501 1.00 0.00 H new ATOM 366 N PHE A 26 3.796 -10.339 -2.853 1.00 0.00 N ATOM 367 CA PHE A 26 2.935 -9.351 -3.492 1.00 0.00 C ATOM 368 C PHE A 26 3.133 -9.355 -5.005 1.00 0.00 C ATOM 369 O PHE A 26 2.167 -9.384 -5.767 1.00 0.00 O ATOM 370 CB PHE A 26 3.221 -7.956 -2.932 1.00 0.00 C ATOM 371 CG PHE A 26 2.446 -7.641 -1.684 1.00 0.00 C ATOM 372 CD1 PHE A 26 2.925 -8.020 -0.441 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.238 -6.966 -1.755 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.215 -7.731 0.709 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.524 -6.674 -0.609 1.00 0.00 C ATOM 376 CZ PHE A 26 1.012 -7.058 0.625 1.00 0.00 C ATOM 0 H PHE A 26 4.292 -9.997 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 26 1.899 -9.615 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.287 -7.870 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.986 -7.212 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.865 -8.548 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.850 -6.665 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.601 -8.031 1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.415 -6.146 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.454 -6.832 1.522 1.00 0.00 H new ATOM 386 N ALA A 27 4.391 -9.324 -5.431 1.00 0.00 N ATOM 387 CA ALA A 27 4.717 -9.325 -6.852 1.00 0.00 C ATOM 388 C ALA A 27 4.056 -10.499 -7.566 1.00 0.00 C ATOM 389 O ALA A 27 3.656 -10.388 -8.724 1.00 0.00 O ATOM 390 CB ALA A 27 6.225 -9.366 -7.048 1.00 0.00 C ATOM 0 H ALA A 27 5.202 -9.298 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 27 4.330 -8.404 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.454 -9.366 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.677 -8.491 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.627 -10.270 -6.591 1.00 0.00 H new ATOM 396 N ALA A 28 3.947 -11.624 -6.867 1.00 0.00 N ATOM 397 CA ALA A 28 3.334 -12.819 -7.434 1.00 0.00 C ATOM 398 C ALA A 28 1.820 -12.664 -7.535 1.00 0.00 C ATOM 399 O ALA A 28 1.207 -13.094 -8.511 1.00 0.00 O ATOM 400 CB ALA A 28 3.686 -14.041 -6.598 1.00 0.00 C ATOM 0 H ALA A 28 4.275 -11.733 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 28 3.728 -12.956 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.221 -14.926 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.768 -14.171 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.321 -13.903 -5.580 1.00 0.00 H new ATOM 406 N GLY A 29 1.223 -12.048 -6.519 1.00 0.00 N ATOM 407 CA GLY A 29 -0.214 -11.849 -6.514 1.00 0.00 C ATOM 408 C GLY A 29 -0.653 -10.771 -7.485 1.00 0.00 C ATOM 409 O GLY A 29 -1.838 -10.451 -7.574 1.00 0.00 O ATOM 0 H GLY A 29 1.709 -11.683 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.708 -12.786 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.537 -11.581 -5.508 1.00 0.00 H new ATOM 413 N GLY A 30 0.305 -10.207 -8.215 1.00 0.00 N ATOM 414 CA GLY A 30 -0.009 -9.164 -9.173 1.00 0.00 C ATOM 415 C GLY A 30 0.176 -7.773 -8.597 1.00 0.00 C ATOM 416 O GLY A 30 -0.362 -6.799 -9.124 1.00 0.00 O ATOM 0 H GLY A 30 1.293 -10.454 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.627 -9.278 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.040 -9.281 -9.508 1.00 0.00 H new ATOM 420 N TYR A 31 0.938 -7.680 -7.513 1.00 0.00 N ATOM 421 CA TYR A 31 1.189 -6.400 -6.863 1.00 0.00 C ATOM 422 C TYR A 31 2.685 -6.109 -6.793 1.00 0.00 C ATOM 423 O TYR A 31 3.396 -6.654 -5.948 1.00 0.00 O ATOM 424 CB TYR A 31 0.590 -6.392 -5.456 1.00 0.00 C ATOM 425 CG TYR A 31 -0.888 -6.708 -5.426 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.837 -5.701 -5.556 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.337 -8.013 -5.266 1.00 0.00 C ATOM 428 CE1 TYR A 31 -3.188 -5.985 -5.528 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.686 -8.306 -5.238 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.608 -7.289 -5.369 1.00 0.00 C ATOM 431 OH TYR A 31 -4.954 -7.577 -5.341 1.00 0.00 O ATOM 0 H TYR A 31 1.393 -8.476 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 31 0.713 -5.620 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.121 -7.118 -4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.753 -5.413 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.512 -4.679 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.618 -8.812 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.912 -5.190 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.017 -9.326 -5.114 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.080 -8.542 -5.223 1.00 0.00 H new ATOM 441 N SER A 32 3.156 -5.245 -7.686 1.00 0.00 N ATOM 442 CA SER A 32 4.568 -4.883 -7.729 1.00 0.00 C ATOM 443 C SER A 32 4.764 -3.416 -7.359 1.00 0.00 C ATOM 444 O SER A 32 5.887 -2.967 -7.130 1.00 0.00 O ATOM 445 CB SER A 32 5.143 -5.151 -9.121 1.00 0.00 C ATOM 446 OG SER A 32 6.400 -4.516 -9.285 1.00 0.00 O ATOM 0 H SER A 32 2.581 -4.782 -8.390 1.00 0.00 H new ATOM 0 HA SER A 32 5.098 -5.497 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.252 -6.225 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.449 -4.791 -9.880 1.00 0.00 H new ATOM 0 HG SER A 32 6.588 -3.955 -8.503 1.00 0.00 H new ATOM 452 N SER A 33 3.663 -2.674 -7.303 1.00 0.00 N ATOM 453 CA SER A 33 3.712 -1.256 -6.965 1.00 0.00 C ATOM 454 C SER A 33 2.887 -0.967 -5.715 1.00 0.00 C ATOM 455 O SER A 33 2.109 -1.807 -5.263 1.00 0.00 O ATOM 456 CB SER A 33 3.200 -0.413 -8.134 1.00 0.00 C ATOM 457 OG SER A 33 3.837 -0.781 -9.346 1.00 0.00 O ATOM 0 H SER A 33 2.726 -3.031 -7.487 1.00 0.00 H new ATOM 0 HA SER A 33 4.750 -0.992 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.122 -0.540 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.380 0.643 -7.931 1.00 0.00 H new ATOM 0 HG SER A 33 3.491 -0.229 -10.078 1.00 0.00 H new ATOM 463 N LEU A 34 3.063 0.228 -5.161 1.00 0.00 N ATOM 464 CA LEU A 34 2.335 0.630 -3.963 1.00 0.00 C ATOM 465 C LEU A 34 0.897 1.011 -4.301 1.00 0.00 C ATOM 466 O LEU A 34 -0.041 0.608 -3.616 1.00 0.00 O ATOM 467 CB LEU A 34 3.041 1.805 -3.283 1.00 0.00 C ATOM 468 CG LEU A 34 4.147 1.416 -2.303 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.598 1.318 -0.888 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.790 0.102 -2.719 1.00 0.00 C ATOM 0 H LEU A 34 3.703 0.935 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 34 2.314 -0.218 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.468 2.447 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.297 2.397 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 34 4.911 2.193 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.401 1.040 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.186 2.282 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.814 0.562 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.575 -0.159 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.035 -0.685 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.221 0.207 -3.715 1.00 0.00 H new ATOM 482 N GLY A 35 0.733 1.793 -5.364 1.00 0.00 N ATOM 483 CA GLY A 35 -0.592 2.217 -5.776 1.00 0.00 C ATOM 484 C GLY A 35 -1.599 1.084 -5.745 1.00 0.00 C ATOM 485 O GLY A 35 -2.708 1.245 -5.236 1.00 0.00 O ATOM 0 H GLY A 35 1.494 2.140 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.933 3.020 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.542 2.627 -6.785 1.00 0.00 H new ATOM 489 N MET A 36 -1.212 -0.064 -6.291 1.00 0.00 N ATOM 490 CA MET A 36 -2.090 -1.228 -6.324 1.00 0.00 C ATOM 491 C MET A 36 -2.167 -1.890 -4.952 1.00 0.00 C ATOM 492 O MET A 36 -3.182 -2.489 -4.597 1.00 0.00 O ATOM 493 CB MET A 36 -1.596 -2.236 -7.363 1.00 0.00 C ATOM 494 CG MET A 36 -0.155 -2.672 -7.151 1.00 0.00 C ATOM 495 SD MET A 36 0.599 -3.331 -8.650 1.00 0.00 S ATOM 496 CE MET A 36 0.155 -2.066 -9.837 1.00 0.00 C ATOM 0 H MET A 36 -0.297 -0.213 -6.716 1.00 0.00 H new ATOM 0 HA MET A 36 -3.089 -0.891 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.240 -3.115 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.692 -1.798 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.429 -1.822 -6.798 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.120 -3.430 -6.368 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.873 -2.069 -10.657 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.843 -2.267 -10.227 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.164 -1.091 -9.350 1.00 0.00 H new ATOM 506 N VAL A 37 -1.088 -1.778 -4.185 1.00 0.00 N ATOM 507 CA VAL A 37 -1.033 -2.365 -2.851 1.00 0.00 C ATOM 508 C VAL A 37 -1.963 -1.633 -1.890 1.00 0.00 C ATOM 509 O VAL A 37 -2.499 -2.227 -0.955 1.00 0.00 O ATOM 510 CB VAL A 37 0.398 -2.338 -2.284 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.376 -2.493 -0.771 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.247 -3.424 -2.927 1.00 0.00 C ATOM 0 H VAL A 37 -0.239 -1.286 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.357 -3.401 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 37 0.845 -1.372 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.396 -2.472 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.194 -1.676 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.090 -3.443 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.255 -3.390 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.805 -4.399 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.290 -3.262 -4.004 1.00 0.00 H new ATOM 522 N LEU A 38 -2.151 -0.339 -2.128 1.00 0.00 N ATOM 523 CA LEU A 38 -3.017 0.476 -1.283 1.00 0.00 C ATOM 524 C LEU A 38 -4.476 0.058 -1.438 1.00 0.00 C ATOM 525 O LEU A 38 -5.298 0.298 -0.553 1.00 0.00 O ATOM 526 CB LEU A 38 -2.858 1.957 -1.633 1.00 0.00 C ATOM 527 CG LEU A 38 -1.812 2.707 -0.809 1.00 0.00 C ATOM 528 CD1 LEU A 38 -0.534 1.891 -0.696 1.00 0.00 C ATOM 529 CD2 LEU A 38 -1.524 4.068 -1.425 1.00 0.00 C ATOM 0 H LEU A 38 -1.716 0.168 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.722 0.322 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.595 2.039 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.821 2.450 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.210 2.860 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.198 2.442 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.751 0.940 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.132 1.705 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.777 4.588 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.147 3.936 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.441 4.656 -1.452 1.00 0.00 H new ATOM 541 N ARG A 39 -4.790 -0.567 -2.568 1.00 0.00 N ATOM 542 CA ARG A 39 -6.150 -1.017 -2.839 1.00 0.00 C ATOM 543 C ARG A 39 -6.320 -2.487 -2.470 1.00 0.00 C ATOM 544 O ARG A 39 -7.290 -3.130 -2.872 1.00 0.00 O ATOM 545 CB ARG A 39 -6.494 -0.808 -4.315 1.00 0.00 C ATOM 546 CG ARG A 39 -5.804 -1.791 -5.247 1.00 0.00 C ATOM 547 CD ARG A 39 -6.630 -2.048 -6.497 1.00 0.00 C ATOM 548 NE ARG A 39 -6.704 -0.870 -7.356 1.00 0.00 N ATOM 549 CZ ARG A 39 -5.777 -0.554 -8.253 1.00 0.00 C ATOM 550 NH1 ARG A 39 -4.710 -1.326 -8.407 1.00 0.00 N ATOM 551 NH2 ARG A 39 -5.915 0.535 -8.997 1.00 0.00 N ATOM 0 H ARG A 39 -4.121 -0.773 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.830 -0.425 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.573 -0.895 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.219 0.207 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.826 -1.401 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.633 -2.731 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.194 -2.877 -7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.637 -2.351 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.513 -0.255 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.600 -2.164 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.999 -1.082 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.734 1.132 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.202 0.776 -9.685 1.00 0.00 H new ATOM 565 N MET A 40 -5.371 -3.013 -1.703 1.00 0.00 N ATOM 566 CA MET A 40 -5.417 -4.408 -1.279 1.00 0.00 C ATOM 567 C MET A 40 -5.997 -4.530 0.127 1.00 0.00 C ATOM 568 O MET A 40 -6.098 -3.543 0.854 1.00 0.00 O ATOM 569 CB MET A 40 -4.016 -5.022 -1.320 1.00 0.00 C ATOM 570 CG MET A 40 -3.633 -5.570 -2.685 1.00 0.00 C ATOM 571 SD MET A 40 -2.065 -6.461 -2.660 1.00 0.00 S ATOM 572 CE MET A 40 -2.503 -7.888 -1.671 1.00 0.00 C ATOM 0 H MET A 40 -4.561 -2.495 -1.362 1.00 0.00 H new ATOM 0 HA MET A 40 -6.064 -4.950 -1.968 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.288 -4.267 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.959 -5.826 -0.586 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.420 -6.236 -3.039 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.568 -4.748 -3.397 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.689 -8.117 -0.983 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.409 -7.673 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.678 -8.743 -2.324 1.00 0.00 H new ATOM 582 N ASN A 41 -6.378 -5.747 0.501 1.00 0.00 N ATOM 583 CA ASN A 41 -6.949 -5.997 1.820 1.00 0.00 C ATOM 584 C ASN A 41 -6.619 -7.409 2.297 1.00 0.00 C ATOM 585 O ASN A 41 -6.156 -8.244 1.521 1.00 0.00 O ATOM 586 CB ASN A 41 -8.466 -5.800 1.787 1.00 0.00 C ATOM 587 CG ASN A 41 -8.881 -4.663 0.873 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.869 -3.498 1.269 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.252 -4.998 -0.357 1.00 0.00 N ATOM 0 H ASN A 41 -6.302 -6.575 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.511 -5.284 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.942 -6.722 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.826 -5.601 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.543 -4.276 -1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.246 -5.977 -0.642 1.00 0.00 H new ATOM 596 N ALA A 42 -6.861 -7.666 3.578 1.00 0.00 N ATOM 597 CA ALA A 42 -6.593 -8.976 4.158 1.00 0.00 C ATOM 598 C ALA A 42 -6.892 -10.090 3.160 1.00 0.00 C ATOM 599 O ALA A 42 -6.088 -11.004 2.979 1.00 0.00 O ATOM 600 CB ALA A 42 -7.409 -9.169 5.427 1.00 0.00 C ATOM 0 H ALA A 42 -7.242 -6.984 4.234 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.534 -9.024 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.199 -10.152 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.143 -8.399 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.471 -9.095 5.192 1.00 0.00 H new ATOM 606 N GLN A 43 -8.052 -10.006 2.517 1.00 0.00 N ATOM 607 CA GLN A 43 -8.456 -11.009 1.538 1.00 0.00 C ATOM 608 C GLN A 43 -7.351 -11.247 0.514 1.00 0.00 C ATOM 609 O GLN A 43 -6.994 -12.390 0.227 1.00 0.00 O ATOM 610 CB GLN A 43 -9.739 -10.572 0.830 1.00 0.00 C ATOM 611 CG GLN A 43 -10.520 -11.725 0.219 1.00 0.00 C ATOM 612 CD GLN A 43 -11.415 -12.421 1.225 1.00 0.00 C ATOM 613 OE1 GLN A 43 -11.319 -13.632 1.427 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.294 -11.657 1.864 1.00 0.00 N ATOM 0 H GLN A 43 -8.728 -9.255 2.656 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.642 -11.943 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.377 -10.049 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.486 -9.859 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.128 -11.351 -0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.822 -12.449 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.340 -10.657 1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.923 -12.070 2.553 1.00 0.00 H new ATOM 623 N ASP A 44 -6.815 -10.162 -0.033 1.00 0.00 N ATOM 624 CA ASP A 44 -5.750 -10.253 -1.025 1.00 0.00 C ATOM 625 C ASP A 44 -4.430 -10.647 -0.370 1.00 0.00 C ATOM 626 O ASP A 44 -3.807 -11.638 -0.753 1.00 0.00 O ATOM 627 CB ASP A 44 -5.592 -8.919 -1.758 1.00 0.00 C ATOM 628 CG ASP A 44 -6.802 -8.577 -2.604 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.120 -9.356 -3.527 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.431 -7.530 -2.344 1.00 0.00 O ATOM 0 H ASP A 44 -7.100 -9.209 0.194 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.022 -11.025 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.425 -8.125 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.707 -8.960 -2.394 1.00 0.00 H new ATOM 635 N VAL A 45 -4.008 -9.865 0.618 1.00 0.00 N ATOM 636 CA VAL A 45 -2.762 -10.132 1.326 1.00 0.00 C ATOM 637 C VAL A 45 -2.655 -11.603 1.715 1.00 0.00 C ATOM 638 O VAL A 45 -1.678 -12.274 1.382 1.00 0.00 O ATOM 639 CB VAL A 45 -2.640 -9.267 2.595 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.414 -9.670 3.400 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.587 -7.792 2.230 1.00 0.00 C ATOM 0 H VAL A 45 -4.511 -9.041 0.947 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.950 -9.879 0.644 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.522 -9.433 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.344 -9.048 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.499 -10.717 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.519 -9.534 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.501 -7.195 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.724 -7.606 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.498 -7.516 1.699 1.00 0.00 H new ATOM 651 N ARG A 46 -3.667 -12.098 2.420 1.00 0.00 N ATOM 652 CA ARG A 46 -3.687 -13.489 2.855 1.00 0.00 C ATOM 653 C ARG A 46 -3.224 -14.415 1.734 1.00 0.00 C ATOM 654 O ARG A 46 -2.405 -15.307 1.952 1.00 0.00 O ATOM 655 CB ARG A 46 -5.094 -13.884 3.308 1.00 0.00 C ATOM 656 CG ARG A 46 -5.108 -14.954 4.388 1.00 0.00 C ATOM 657 CD ARG A 46 -4.621 -16.291 3.852 1.00 0.00 C ATOM 658 NE ARG A 46 -5.386 -16.725 2.686 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.543 -17.372 2.766 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.067 -17.658 3.950 1.00 0.00 N ATOM 661 NH2 ARG A 46 -7.180 -17.734 1.659 1.00 0.00 N ATOM 0 H ARG A 46 -4.484 -11.556 2.702 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.000 -13.591 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.609 -12.998 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.657 -14.242 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.476 -14.642 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.119 -15.064 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.567 -16.212 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.696 -17.045 4.636 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.011 -16.520 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.581 -17.381 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.956 -18.155 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.781 -17.515 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.069 -18.231 1.721 1.00 0.00 H new ATOM 675 N ALA A 47 -3.755 -14.197 0.536 1.00 0.00 N ATOM 676 CA ALA A 47 -3.395 -15.011 -0.619 1.00 0.00 C ATOM 677 C ALA A 47 -1.887 -15.005 -0.847 1.00 0.00 C ATOM 678 O ALA A 47 -1.311 -16.003 -1.279 1.00 0.00 O ATOM 679 CB ALA A 47 -4.120 -14.515 -1.861 1.00 0.00 C ATOM 0 H ALA A 47 -4.436 -13.464 0.339 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.702 -16.038 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.842 -15.132 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.197 -14.578 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.842 -13.479 -2.055 1.00 0.00 H new ATOM 685 N LEU A 48 -1.254 -13.874 -0.554 1.00 0.00 N ATOM 686 CA LEU A 48 0.188 -13.738 -0.727 1.00 0.00 C ATOM 687 C LEU A 48 0.937 -14.747 0.136 1.00 0.00 C ATOM 688 O LEU A 48 2.063 -15.133 -0.177 1.00 0.00 O ATOM 689 CB LEU A 48 0.633 -12.317 -0.374 1.00 0.00 C ATOM 690 CG LEU A 48 0.025 -11.214 -1.242 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.667 -9.872 -0.928 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.182 -11.550 -2.717 1.00 0.00 C ATOM 0 H LEU A 48 -1.716 -13.038 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 48 0.424 -13.936 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.378 -12.121 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.719 -12.263 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.039 -11.146 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.222 -9.100 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.503 -9.627 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.738 -9.926 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.256 -10.755 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.241 -11.646 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.326 -12.490 -2.932 1.00 0.00 H new ATOM 704 N GLY A 49 0.304 -15.171 1.226 1.00 0.00 N ATOM 705 CA GLY A 49 0.926 -16.132 2.118 1.00 0.00 C ATOM 706 C GLY A 49 1.049 -15.611 3.536 1.00 0.00 C ATOM 707 O GLY A 49 1.058 -16.388 4.492 1.00 0.00 O ATOM 0 H GLY A 49 -0.628 -14.866 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.341 -17.052 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.916 -16.386 1.740 1.00 0.00 H new ATOM 711 N ILE A 50 1.144 -14.292 3.674 1.00 0.00 N ATOM 712 CA ILE A 50 1.268 -13.669 4.986 1.00 0.00 C ATOM 713 C ILE A 50 -0.038 -13.768 5.767 1.00 0.00 C ATOM 714 O ILE A 50 -0.996 -13.044 5.491 1.00 0.00 O ATOM 715 CB ILE A 50 1.672 -12.188 4.870 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.713 -12.006 3.763 1.00 0.00 C ATOM 717 CG2 ILE A 50 2.211 -11.680 6.199 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.109 -11.701 2.410 1.00 0.00 C ATOM 0 H ILE A 50 1.137 -13.635 2.894 1.00 0.00 H new ATOM 0 HA ILE A 50 2.050 -14.210 5.519 1.00 0.00 H new ATOM 0 HB ILE A 50 0.788 -11.605 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.389 -11.197 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.314 -12.912 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.492 -10.632 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.442 -11.779 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.085 -12.265 6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.905 -11.585 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.455 -12.520 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.532 -10.778 2.469 1.00 0.00 H new ATOM 730 N THR A 51 -0.070 -14.668 6.745 1.00 0.00 N ATOM 731 CA THR A 51 -1.258 -14.862 7.567 1.00 0.00 C ATOM 732 C THR A 51 -0.959 -14.594 9.037 1.00 0.00 C ATOM 733 O THR A 51 -1.870 -14.392 9.839 1.00 0.00 O ATOM 734 CB THR A 51 -1.816 -16.290 7.420 1.00 0.00 C ATOM 735 OG1 THR A 51 -0.840 -17.244 7.851 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.207 -16.573 5.977 1.00 0.00 C ATOM 0 H THR A 51 0.714 -15.274 6.987 1.00 0.00 H new ATOM 0 HA THR A 51 -2.005 -14.150 7.216 1.00 0.00 H new ATOM 0 HB THR A 51 -2.706 -16.374 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.203 -18.149 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.598 -17.587 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.972 -15.864 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.331 -16.471 5.336 1.00 0.00 H new ATOM 744 N LEU A 52 0.323 -14.592 9.384 1.00 0.00 N ATOM 745 CA LEU A 52 0.743 -14.348 10.760 1.00 0.00 C ATOM 746 C LEU A 52 0.079 -13.093 11.317 1.00 0.00 C ATOM 747 O LEU A 52 0.513 -11.975 11.043 1.00 0.00 O ATOM 748 CB LEU A 52 2.266 -14.210 10.833 1.00 0.00 C ATOM 749 CG LEU A 52 3.046 -15.497 10.565 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.385 -15.618 9.087 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.311 -15.538 11.408 1.00 0.00 C ATOM 0 H LEU A 52 1.090 -14.757 8.732 1.00 0.00 H new ATOM 0 HA LEU A 52 0.433 -15.200 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.582 -13.455 10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.535 -13.839 11.822 1.00 0.00 H new ATOM 0 HG LEU A 52 2.419 -16.344 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.940 -16.540 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.465 -15.634 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.993 -14.766 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.854 -16.461 11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.941 -14.684 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.046 -15.498 12.464 1.00 0.00 H new ATOM 763 N MET A 53 -0.977 -13.288 12.100 1.00 0.00 N ATOM 764 CA MET A 53 -1.701 -12.171 12.697 1.00 0.00 C ATOM 765 C MET A 53 -0.783 -10.969 12.890 1.00 0.00 C ATOM 766 O MET A 53 -1.076 -9.870 12.420 1.00 0.00 O ATOM 767 CB MET A 53 -2.305 -12.587 14.040 1.00 0.00 C ATOM 768 CG MET A 53 -3.441 -13.588 13.912 1.00 0.00 C ATOM 769 SD MET A 53 -4.977 -12.828 13.353 1.00 0.00 S ATOM 770 CE MET A 53 -4.711 -12.788 11.582 1.00 0.00 C ATOM 0 H MET A 53 -1.350 -14.208 12.336 1.00 0.00 H new ATOM 0 HA MET A 53 -2.504 -11.886 12.018 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.521 -13.017 14.664 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.671 -11.699 14.555 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.152 -14.372 13.212 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.608 -14.068 14.876 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.498 -11.766 11.269 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.867 -13.429 11.326 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.605 -13.145 11.072 1.00 0.00 H new ATOM 780 N GLY A 54 0.331 -11.184 13.584 1.00 0.00 N ATOM 781 CA GLY A 54 1.274 -10.108 13.827 1.00 0.00 C ATOM 782 C GLY A 54 1.665 -9.382 12.555 1.00 0.00 C ATOM 783 O GLY A 54 1.400 -8.189 12.405 1.00 0.00 O ATOM 0 H GLY A 54 0.597 -12.085 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.837 -9.397 14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.169 -10.513 14.300 1.00 0.00 H new ATOM 787 N HIS A 55 2.299 -10.103 11.635 1.00 0.00 N ATOM 788 CA HIS A 55 2.729 -9.520 10.369 1.00 0.00 C ATOM 789 C HIS A 55 1.533 -9.002 9.576 1.00 0.00 C ATOM 790 O HIS A 55 1.510 -7.846 9.155 1.00 0.00 O ATOM 791 CB HIS A 55 3.496 -10.552 9.542 1.00 0.00 C ATOM 792 CG HIS A 55 4.685 -11.124 10.252 1.00 0.00 C ATOM 793 ND1 HIS A 55 5.318 -10.727 11.380 1.00 0.00 N flip ATOM 794 CD2 HIS A 55 5.361 -12.241 9.807 1.00 0.00 C flip ATOM 795 CE1 HIS A 55 6.354 -11.603 11.595 1.00 0.00 C flip ATOM 796 NE2 HIS A 55 6.358 -12.506 10.632 1.00 0.00 N flip ATOM 0 H HIS A 55 2.526 -11.092 11.743 1.00 0.00 H new ATOM 0 HA HIS A 55 3.388 -8.680 10.589 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.820 -11.363 9.271 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.826 -10.088 8.613 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.114 -12.810 8.923 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.052 -11.560 12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.019 -13.278 10.541 1.00 0.00 H new ATOM 805 N GLN A 56 0.543 -9.866 9.375 1.00 0.00 N ATOM 806 CA GLN A 56 -0.655 -9.495 8.631 1.00 0.00 C ATOM 807 C GLN A 56 -1.148 -8.113 9.046 1.00 0.00 C ATOM 808 O GLN A 56 -1.733 -7.384 8.245 1.00 0.00 O ATOM 809 CB GLN A 56 -1.758 -10.531 8.851 1.00 0.00 C ATOM 810 CG GLN A 56 -1.779 -11.631 7.802 1.00 0.00 C ATOM 811 CD GLN A 56 -3.169 -12.186 7.566 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.008 -12.198 8.468 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.422 -12.651 6.348 1.00 0.00 N ATOM 0 H GLN A 56 0.547 -10.827 9.717 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.400 -9.466 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.630 -10.982 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.724 -10.026 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.384 -11.241 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.118 -12.439 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.698 -12.622 5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.341 -13.037 6.130 1.00 0.00 H new ATOM 822 N LYS A 57 -0.908 -7.758 10.304 1.00 0.00 N ATOM 823 CA LYS A 57 -1.326 -6.463 10.827 1.00 0.00 C ATOM 824 C LYS A 57 -0.356 -5.365 10.401 1.00 0.00 C ATOM 825 O LYS A 57 -0.750 -4.214 10.213 1.00 0.00 O ATOM 826 CB LYS A 57 -1.418 -6.512 12.354 1.00 0.00 C ATOM 827 CG LYS A 57 -2.658 -7.225 12.866 1.00 0.00 C ATOM 828 CD LYS A 57 -2.939 -6.882 14.319 1.00 0.00 C ATOM 829 CE LYS A 57 -2.213 -7.826 15.265 1.00 0.00 C ATOM 830 NZ LYS A 57 -0.747 -7.567 15.290 1.00 0.00 N ATOM 0 H LYS A 57 -0.426 -8.350 10.980 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.310 -6.234 10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.533 -7.012 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.408 -5.494 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.516 -6.949 12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.527 -8.302 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.629 -5.856 14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.012 -6.933 14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.619 -7.715 16.271 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.395 -8.857 14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.336 -7.983 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.304 -7.995 14.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.576 -6.541 15.286 1.00 0.00 H new ATOM 844 N LYS A 58 0.912 -5.729 10.249 1.00 0.00 N ATOM 845 CA LYS A 58 1.938 -4.777 9.842 1.00 0.00 C ATOM 846 C LYS A 58 1.707 -4.306 8.410 1.00 0.00 C ATOM 847 O LYS A 58 1.605 -3.107 8.150 1.00 0.00 O ATOM 848 CB LYS A 58 3.327 -5.408 9.964 1.00 0.00 C ATOM 849 CG LYS A 58 3.528 -6.192 11.250 1.00 0.00 C ATOM 850 CD LYS A 58 4.027 -5.300 12.374 1.00 0.00 C ATOM 851 CE LYS A 58 2.873 -4.676 13.144 1.00 0.00 C ATOM 852 NZ LYS A 58 2.264 -5.636 14.106 1.00 0.00 N ATOM 0 H LYS A 58 1.254 -6.678 10.402 1.00 0.00 H new ATOM 0 HA LYS A 58 1.878 -3.913 10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.492 -6.071 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.080 -4.622 9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.587 -6.658 11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.243 -6.997 11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.647 -5.883 13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.659 -4.513 11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.229 -3.798 13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.112 -4.333 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.440 -5.195 14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.962 -6.492 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.964 -5.892 14.831 1.00 0.00 H new ATOM 866 N ILE A 59 1.623 -5.257 7.485 1.00 0.00 N ATOM 867 CA ILE A 59 1.401 -4.938 6.080 1.00 0.00 C ATOM 868 C ILE A 59 0.105 -4.156 5.893 1.00 0.00 C ATOM 869 O ILE A 59 0.117 -3.018 5.424 1.00 0.00 O ATOM 870 CB ILE A 59 1.348 -6.212 5.216 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.665 -6.982 5.323 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.052 -5.856 3.767 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.628 -8.339 4.656 1.00 0.00 C ATOM 0 H ILE A 59 1.705 -6.254 7.683 1.00 0.00 H new ATOM 0 HA ILE A 59 2.243 -4.325 5.758 1.00 0.00 H new ATOM 0 HB ILE A 59 0.545 -6.851 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.461 -6.388 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.917 -7.110 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.018 -6.766 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.091 -5.346 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.835 -5.201 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.595 -8.828 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.854 -8.951 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.407 -8.217 3.596 1.00 0.00 H new ATOM 885 N LEU A 60 -1.011 -4.773 6.264 1.00 0.00 N ATOM 886 CA LEU A 60 -2.317 -4.134 6.138 1.00 0.00 C ATOM 887 C LEU A 60 -2.365 -2.834 6.934 1.00 0.00 C ATOM 888 O LEU A 60 -2.575 -1.759 6.374 1.00 0.00 O ATOM 889 CB LEU A 60 -3.419 -5.081 6.618 1.00 0.00 C ATOM 890 CG LEU A 60 -3.922 -6.073 5.569 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.736 -5.356 4.503 1.00 0.00 C ATOM 892 CD2 LEU A 60 -2.756 -6.819 4.939 1.00 0.00 C ATOM 0 H LEU A 60 -1.038 -5.715 6.655 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.480 -3.901 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.048 -5.641 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.263 -4.485 6.967 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.568 -6.799 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.086 -6.078 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.593 -4.867 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.114 -4.608 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.133 -7.521 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.085 -6.107 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.214 -7.365 5.711 1.00 0.00 H new ATOM 904 N GLY A 61 -2.167 -2.941 8.244 1.00 0.00 N ATOM 905 CA GLY A 61 -2.192 -1.767 9.097 1.00 0.00 C ATOM 906 C GLY A 61 -1.482 -0.582 8.472 1.00 0.00 C ATOM 907 O GLY A 61 -1.923 0.559 8.612 1.00 0.00 O ATOM 0 H GLY A 61 -1.990 -3.820 8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.227 -1.497 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.724 -2.005 10.052 1.00 0.00 H new ATOM 911 N SER A 62 -0.379 -0.852 7.782 1.00 0.00 N ATOM 912 CA SER A 62 0.397 0.202 7.138 1.00 0.00 C ATOM 913 C SER A 62 -0.255 0.633 5.828 1.00 0.00 C ATOM 914 O SER A 62 -0.107 1.776 5.395 1.00 0.00 O ATOM 915 CB SER A 62 1.827 -0.275 6.877 1.00 0.00 C ATOM 916 OG SER A 62 2.499 -0.560 8.092 1.00 0.00 O ATOM 0 H SER A 62 -0.002 -1.791 7.654 1.00 0.00 H new ATOM 0 HA SER A 62 0.425 1.060 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.808 -1.167 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.374 0.490 6.326 1.00 0.00 H new ATOM 0 HG SER A 62 2.260 -1.461 8.394 1.00 0.00 H new ATOM 922 N ILE A 63 -0.975 -0.291 5.201 1.00 0.00 N ATOM 923 CA ILE A 63 -1.651 -0.007 3.941 1.00 0.00 C ATOM 924 C ILE A 63 -2.889 0.854 4.162 1.00 0.00 C ATOM 925 O ILE A 63 -3.073 1.875 3.500 1.00 0.00 O ATOM 926 CB ILE A 63 -2.063 -1.303 3.218 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.828 -2.025 2.675 1.00 0.00 C ATOM 928 CG2 ILE A 63 -3.041 -0.995 2.094 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.088 -3.466 2.296 1.00 0.00 C ATOM 0 H ILE A 63 -1.105 -1.242 5.545 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.940 0.537 3.318 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.558 -1.959 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.459 -1.489 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.039 -1.992 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.323 -1.921 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.931 -0.520 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.571 -0.323 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.169 -3.915 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.428 -4.017 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.855 -3.506 1.522 1.00 0.00 H new ATOM 941 N GLN A 64 -3.734 0.436 5.099 1.00 0.00 N ATOM 942 CA GLN A 64 -4.955 1.170 5.409 1.00 0.00 C ATOM 943 C GLN A 64 -4.661 2.652 5.619 1.00 0.00 C ATOM 944 O GLN A 64 -5.409 3.516 5.159 1.00 0.00 O ATOM 945 CB GLN A 64 -5.622 0.589 6.657 1.00 0.00 C ATOM 946 CG GLN A 64 -5.217 1.287 7.945 1.00 0.00 C ATOM 947 CD GLN A 64 -5.600 0.499 9.182 1.00 0.00 C ATOM 948 OE1 GLN A 64 -5.769 -0.720 9.127 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.738 1.191 10.306 1.00 0.00 N ATOM 0 H GLN A 64 -3.595 -0.407 5.656 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.634 1.069 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.704 0.653 6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.372 -0.469 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.139 1.450 7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.688 2.269 7.985 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.588 2.200 10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.994 0.714 11.170 1.00 0.00 H new ATOM 958 N THR A 65 -3.567 2.940 6.316 1.00 0.00 N ATOM 959 CA THR A 65 -3.174 4.317 6.588 1.00 0.00 C ATOM 960 C THR A 65 -2.416 4.916 5.409 1.00 0.00 C ATOM 961 O THR A 65 -2.563 6.098 5.101 1.00 0.00 O ATOM 962 CB THR A 65 -2.296 4.412 7.850 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.809 5.749 8.009 1.00 0.00 O ATOM 964 CG2 THR A 65 -1.123 3.446 7.767 1.00 0.00 C ATOM 0 H THR A 65 -2.937 2.238 6.703 1.00 0.00 H new ATOM 0 HA THR A 65 -4.092 4.881 6.750 1.00 0.00 H new ATOM 0 HB THR A 65 -2.907 4.144 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.253 5.801 8.814 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.517 3.531 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.497 2.426 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.513 3.688 6.896 1.00 0.00 H new ATOM 972 N MET A 66 -1.606 4.092 4.752 1.00 0.00 N ATOM 973 CA MET A 66 -0.827 4.541 3.605 1.00 0.00 C ATOM 974 C MET A 66 -1.729 5.168 2.546 1.00 0.00 C ATOM 975 O MET A 66 -1.367 6.164 1.920 1.00 0.00 O ATOM 976 CB MET A 66 -0.048 3.371 3.000 1.00 0.00 C ATOM 977 CG MET A 66 1.358 3.223 3.559 1.00 0.00 C ATOM 978 SD MET A 66 1.933 1.514 3.551 1.00 0.00 S ATOM 979 CE MET A 66 1.763 1.109 1.814 1.00 0.00 C ATOM 0 H MET A 66 -1.472 3.110 4.995 1.00 0.00 H new ATOM 0 HA MET A 66 -0.122 5.297 3.951 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.600 2.448 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.011 3.505 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.044 3.836 2.974 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.381 3.605 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.558 0.423 1.521 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.795 0.638 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.833 2.020 1.219 1.00 0.00 H new ATOM 989 N ARG A 67 -2.903 4.577 2.351 1.00 0.00 N ATOM 990 CA ARG A 67 -3.856 5.077 1.367 1.00 0.00 C ATOM 991 C ARG A 67 -4.714 6.192 1.959 1.00 0.00 C ATOM 992 O ARG A 67 -5.068 7.148 1.270 1.00 0.00 O ATOM 993 CB ARG A 67 -4.750 3.940 0.869 1.00 0.00 C ATOM 994 CG ARG A 67 -5.420 3.157 1.986 1.00 0.00 C ATOM 995 CD ARG A 67 -6.791 2.651 1.567 1.00 0.00 C ATOM 996 NE ARG A 67 -7.723 3.745 1.306 1.00 0.00 N ATOM 997 CZ ARG A 67 -9.043 3.607 1.331 1.00 0.00 C ATOM 998 NH1 ARG A 67 -9.585 2.428 1.606 1.00 0.00 N ATOM 999 NH2 ARG A 67 -9.825 4.650 1.083 1.00 0.00 N ATOM 0 H ARG A 67 -3.217 3.752 2.861 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.294 5.483 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.518 4.353 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.152 3.257 0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.790 2.313 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.519 3.791 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.693 2.037 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.195 2.010 2.350 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.338 4.665 1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.987 1.624 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.600 2.325 1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.412 5.559 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.839 4.543 1.102 1.00 0.00 H new ATOM 1013 N ALA A 68 -5.045 6.061 3.239 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.860 7.057 3.923 1.00 0.00 C ATOM 1015 C ALA A 68 -5.276 8.455 3.752 1.00 0.00 C ATOM 1016 O ALA A 68 -6.007 9.419 3.525 1.00 0.00 O ATOM 1017 CB ALA A 68 -5.985 6.712 5.400 1.00 0.00 C ATOM 0 H ALA A 68 -4.761 5.275 3.823 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.853 7.049 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.596 7.464 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.454 5.734 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.994 6.690 5.854 1.00 0.00 H new ATOM 1023 N GLN A 69 -3.955 8.558 3.863 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.275 9.840 3.722 1.00 0.00 C ATOM 1025 C GLN A 69 -3.131 10.221 2.252 1.00 0.00 C ATOM 1026 O GLN A 69 -3.290 11.384 1.884 1.00 0.00 O ATOM 1027 CB GLN A 69 -1.897 9.785 4.384 1.00 0.00 C ATOM 1028 CG GLN A 69 -0.875 8.983 3.596 1.00 0.00 C ATOM 1029 CD GLN A 69 0.493 8.977 4.250 1.00 0.00 C ATOM 1030 OE1 GLN A 69 0.755 9.746 5.175 1.00 0.00 O ATOM 1031 NE2 GLN A 69 1.374 8.106 3.772 1.00 0.00 N ATOM 0 H GLN A 69 -3.335 7.770 4.050 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.879 10.600 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.526 10.801 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.998 9.351 5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.227 7.957 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.791 9.396 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.114 7.487 3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.311 8.056 4.173 1.00 0.00 H new ATOM 1040 N LEU A 70 -2.829 9.232 1.417 1.00 0.00 N ATOM 1041 CA LEU A 70 -2.663 9.464 -0.014 1.00 0.00 C ATOM 1042 C LEU A 70 -4.017 9.577 -0.707 1.00 0.00 C ATOM 1043 O LEU A 70 -5.065 9.484 -0.067 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.847 8.333 -0.643 1.00 0.00 C ATOM 1045 CG LEU A 70 -0.437 8.160 -0.079 1.00 0.00 C ATOM 1046 CD1 LEU A 70 0.095 6.769 -0.385 1.00 0.00 C ATOM 1047 CD2 LEU A 70 0.494 9.224 -0.640 1.00 0.00 C ATOM 0 H LEU A 70 -2.694 8.263 1.706 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.129 10.405 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.391 7.397 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.773 8.512 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.483 8.278 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.100 6.665 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.559 6.022 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.126 6.621 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.494 9.086 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.534 9.137 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.123 10.212 -0.369 1.00 0.00 H new ATOM 1059 N THR A 71 -3.987 9.781 -2.020 1.00 0.00 N ATOM 1060 CA THR A 71 -5.211 9.908 -2.802 1.00 0.00 C ATOM 1061 C THR A 71 -5.298 8.823 -3.868 1.00 0.00 C ATOM 1062 O THR A 71 -6.374 8.289 -4.138 1.00 0.00 O ATOM 1063 CB THR A 71 -5.302 11.288 -3.481 1.00 0.00 C ATOM 1064 OG1 THR A 71 -4.266 11.421 -4.460 1.00 0.00 O ATOM 1065 CG2 THR A 71 -5.184 12.405 -2.455 1.00 0.00 C ATOM 0 H THR A 71 -3.128 9.862 -2.565 1.00 0.00 H new ATOM 0 HA THR A 71 -6.043 9.797 -2.107 1.00 0.00 H new ATOM 0 HB THR A 71 -6.274 11.365 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.332 12.300 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.251 13.370 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.991 12.318 -1.728 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.225 12.329 -1.943 1.00 0.00 H new ATOM 1073 N SER A 72 -4.159 8.500 -4.472 1.00 0.00 N ATOM 1074 CA SER A 72 -4.108 7.479 -5.512 1.00 0.00 C ATOM 1075 C SER A 72 -4.989 7.865 -6.696 1.00 0.00 C ATOM 1076 O SER A 72 -5.709 7.032 -7.247 1.00 0.00 O ATOM 1077 CB SER A 72 -4.550 6.126 -4.951 1.00 0.00 C ATOM 1078 OG SER A 72 -3.469 5.452 -4.333 1.00 0.00 O ATOM 0 H SER A 72 -3.259 8.930 -4.259 1.00 0.00 H new ATOM 0 HA SER A 72 -3.078 7.400 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.352 6.273 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.955 5.510 -5.754 1.00 0.00 H new ATOM 0 HG SER A 72 -3.778 4.591 -3.981 1.00 0.00 H new ATOM 1084 N THR A 73 -4.928 9.136 -7.082 1.00 0.00 N ATOM 1085 CA THR A 73 -5.721 9.634 -8.199 1.00 0.00 C ATOM 1086 C THR A 73 -4.931 9.578 -9.502 1.00 0.00 C ATOM 1087 O THR A 73 -4.021 10.376 -9.721 1.00 0.00 O ATOM 1088 CB THR A 73 -6.185 11.082 -7.956 1.00 0.00 C ATOM 1089 OG1 THR A 73 -6.981 11.149 -6.767 1.00 0.00 O ATOM 1090 CG2 THR A 73 -6.990 11.599 -9.139 1.00 0.00 C ATOM 0 H THR A 73 -4.338 9.839 -6.637 1.00 0.00 H new ATOM 0 HA THR A 73 -6.595 8.988 -8.279 1.00 0.00 H new ATOM 0 HB THR A 73 -5.300 11.707 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.271 12.073 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.307 12.624 -8.944 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.373 11.575 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.868 10.970 -9.285 1.00 0.00 H new ATOM 1098 N GLN A 74 -5.287 8.630 -10.363 1.00 0.00 N ATOM 1099 CA GLN A 74 -4.610 8.471 -11.645 1.00 0.00 C ATOM 1100 C GLN A 74 -5.288 9.306 -12.726 1.00 0.00 C ATOM 1101 O GLN A 74 -4.632 10.058 -13.446 1.00 0.00 O ATOM 1102 CB GLN A 74 -4.594 6.998 -12.057 1.00 0.00 C ATOM 1103 CG GLN A 74 -3.583 6.682 -13.148 1.00 0.00 C ATOM 1104 CD GLN A 74 -3.437 5.194 -13.395 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -2.421 4.591 -13.047 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -4.454 4.592 -14.001 1.00 0.00 N ATOM 0 H GLN A 74 -6.039 7.961 -10.197 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.584 8.821 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.374 6.387 -11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.589 6.715 -12.402 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.887 7.172 -14.073 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.614 7.097 -12.871 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.277 5.130 -14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.412 3.592 -14.195 1.00 0.00 H new ATOM 1115 N GLY A 75 -6.606 9.169 -12.833 1.00 0.00 N ATOM 1116 CA GLY A 75 -7.351 9.917 -13.829 1.00 0.00 C ATOM 1117 C GLY A 75 -8.301 9.041 -14.622 1.00 0.00 C ATOM 1118 O GLY A 75 -9.464 9.394 -14.819 1.00 0.00 O ATOM 0 H GLY A 75 -7.171 8.554 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.917 10.708 -13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.653 10.402 -14.512 1.00 0.00 H new ATOM 1122 N SER A 76 -7.806 7.895 -15.078 1.00 0.00 N ATOM 1123 CA SER A 76 -8.617 6.968 -15.859 1.00 0.00 C ATOM 1124 C SER A 76 -9.505 6.125 -14.949 1.00 0.00 C ATOM 1125 O SER A 76 -9.138 5.820 -13.815 1.00 0.00 O ATOM 1126 CB SER A 76 -7.722 6.059 -16.703 1.00 0.00 C ATOM 1127 OG SER A 76 -7.398 6.669 -17.940 1.00 0.00 O ATOM 0 H SER A 76 -6.847 7.586 -14.920 1.00 0.00 H new ATOM 0 HA SER A 76 -9.256 7.552 -16.522 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.807 5.833 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.228 5.111 -16.883 1.00 0.00 H new ATOM 0 HG SER A 76 -6.824 6.069 -18.460 1.00 0.00 H new ATOM 1133 N GLY A 77 -10.676 5.751 -15.455 1.00 0.00 N ATOM 1134 CA GLY A 77 -11.598 4.946 -14.676 1.00 0.00 C ATOM 1135 C GLY A 77 -12.142 3.766 -15.458 1.00 0.00 C ATOM 1136 O GLY A 77 -11.643 3.421 -16.529 1.00 0.00 O ATOM 0 H GLY A 77 -11.003 5.991 -16.391 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.092 4.583 -13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.427 5.570 -14.342 1.00 0.00 H new ATOM 1140 N PRO A 78 -13.189 3.126 -14.918 1.00 0.00 N ATOM 1141 CA PRO A 78 -13.824 1.967 -15.554 1.00 0.00 C ATOM 1142 C PRO A 78 -14.206 2.240 -17.005 1.00 0.00 C ATOM 1143 O PRO A 78 -13.931 3.315 -17.538 1.00 0.00 O ATOM 1144 CB PRO A 78 -15.077 1.737 -14.706 1.00 0.00 C ATOM 1145 CG PRO A 78 -14.743 2.315 -13.374 1.00 0.00 C ATOM 1146 CD PRO A 78 -13.836 3.483 -13.643 1.00 0.00 C ATOM 0 HA PRO A 78 -13.156 1.107 -15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.947 2.227 -15.144 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.314 0.676 -14.629 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.644 2.634 -12.850 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.251 1.577 -12.741 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.395 4.416 -13.723 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.105 3.617 -12.845 1.00 0.00 H new ATOM 1154 N SER A 79 -14.842 1.260 -17.638 1.00 0.00 N ATOM 1155 CA SER A 79 -15.259 1.393 -19.029 1.00 0.00 C ATOM 1156 C SER A 79 -16.512 0.566 -19.301 1.00 0.00 C ATOM 1157 O SER A 79 -16.441 -0.651 -19.467 1.00 0.00 O ATOM 1158 CB SER A 79 -14.132 0.956 -19.966 1.00 0.00 C ATOM 1159 OG SER A 79 -12.960 1.723 -19.747 1.00 0.00 O ATOM 0 H SER A 79 -15.080 0.365 -17.210 1.00 0.00 H new ATOM 0 HA SER A 79 -15.489 2.442 -19.215 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.914 -0.100 -19.809 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.453 1.065 -21.002 1.00 0.00 H new ATOM 0 HG SER A 79 -12.254 1.423 -20.357 1.00 0.00 H new ATOM 1165 N SER A 80 -17.658 1.238 -19.347 1.00 0.00 N ATOM 1166 CA SER A 80 -18.928 0.566 -19.595 1.00 0.00 C ATOM 1167 C SER A 80 -19.589 1.104 -20.861 1.00 0.00 C ATOM 1168 O SER A 80 -20.071 2.236 -20.890 1.00 0.00 O ATOM 1169 CB SER A 80 -19.867 0.745 -18.400 1.00 0.00 C ATOM 1170 OG SER A 80 -21.167 0.265 -18.697 1.00 0.00 O ATOM 0 H SER A 80 -17.733 2.247 -19.216 1.00 0.00 H new ATOM 0 HA SER A 80 -18.727 -0.496 -19.734 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.468 0.213 -17.537 1.00 0.00 H new ATOM 0 HB3 SER A 80 -19.918 1.799 -18.128 1.00 0.00 H new ATOM 0 HG SER A 80 -21.748 0.389 -17.917 1.00 0.00 H new ATOM 1176 N GLY A 81 -19.608 0.283 -21.906 1.00 0.00 N ATOM 1177 CA GLY A 81 -20.212 0.694 -23.161 1.00 0.00 C ATOM 1178 C GLY A 81 -19.858 -0.234 -24.306 1.00 0.00 C ATOM 1179 O GLY A 81 -19.911 0.158 -25.471 1.00 0.00 O ATOM 0 H GLY A 81 -19.216 -0.659 -21.907 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -21.295 0.727 -23.046 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.886 1.706 -23.403 1.00 0.00 H new TER 1183 GLY A 81