USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 6 SER OG : rot 180:sc= -0.639 USER MOD Set 1.2: A 7 SER OG : rot 42:sc= 0.882 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.0113 (180deg=-0.338) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 10 HIS : no HD1:sc= -3.35! K(o=-3.4!,f=-1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.31! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.31! C(o=-7.3!,f=-16!) USER MOD Single : A 33 MET CE :methyl -171:sc= -11.3! (180deg=-11.8!) USER MOD Single : A 34 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -75:sc= -5.61! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 56 CYS SG : rot -97:sc= -15! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -12.9! C(o=-13!,f=-21!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 173:sc= -0.342 USER MOD Single : A 75 TYR OH : rot 180:sc= -10.7! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.604 11.425 -4.460 1.00 0.00 N ATOM 2 CA MET A 1 -15.309 10.943 -3.904 1.00 0.00 C ATOM 3 C MET A 1 -15.570 10.120 -2.640 1.00 0.00 C ATOM 4 O MET A 1 -15.124 10.462 -1.563 1.00 0.00 O ATOM 5 CB MET A 1 -14.424 12.142 -3.557 1.00 0.00 C ATOM 6 CG MET A 1 -14.086 12.916 -4.833 1.00 0.00 C ATOM 7 SD MET A 1 -14.693 14.615 -4.687 1.00 0.00 S ATOM 8 CE MET A 1 -13.185 15.337 -3.994 1.00 0.00 C ATOM 0 H1 MET A 1 -16.644 11.217 -5.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.390 10.944 -3.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.684 12.451 -4.313 1.00 0.00 H new ATOM 0 HA MET A 1 -14.806 10.322 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.937 12.793 -2.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.509 11.803 -3.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.008 12.916 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.539 12.430 -5.697 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.338 16.402 -3.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.947 14.847 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.360 15.198 -4.693 1.00 0.00 H new ATOM 20 N THR A 2 -16.291 9.039 -2.763 1.00 0.00 N ATOM 21 CA THR A 2 -16.578 8.198 -1.567 1.00 0.00 C ATOM 22 C THR A 2 -15.265 7.850 -0.862 1.00 0.00 C ATOM 23 O THR A 2 -14.200 7.930 -1.440 1.00 0.00 O ATOM 24 CB THR A 2 -17.282 6.911 -2.004 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.577 6.122 -0.859 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.370 6.125 -2.947 1.00 0.00 C ATOM 0 H THR A 2 -16.693 8.703 -3.638 1.00 0.00 H new ATOM 0 HA THR A 2 -17.223 8.748 -0.882 1.00 0.00 H new ATOM 0 HB THR A 2 -18.208 7.160 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.029 5.298 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.871 5.209 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.145 6.731 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.443 5.874 -2.431 1.00 0.00 H new ATOM 34 N ASP A 3 -15.332 7.468 0.384 1.00 0.00 N ATOM 35 CA ASP A 3 -14.086 7.119 1.124 1.00 0.00 C ATOM 36 C ASP A 3 -13.807 5.620 0.985 1.00 0.00 C ATOM 37 O ASP A 3 -14.476 4.795 1.573 1.00 0.00 O ATOM 38 CB ASP A 3 -14.259 7.469 2.604 1.00 0.00 C ATOM 39 CG ASP A 3 -13.271 8.572 2.986 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.357 9.644 2.407 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.445 8.328 3.850 1.00 0.00 O ATOM 0 H ASP A 3 -16.195 7.382 0.921 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.250 7.682 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.280 7.799 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.090 6.586 3.220 1.00 0.00 H new ATOM 46 N LEU A 4 -12.817 5.262 0.212 1.00 0.00 N ATOM 47 CA LEU A 4 -12.490 3.819 0.039 1.00 0.00 C ATOM 48 C LEU A 4 -11.414 3.418 1.052 1.00 0.00 C ATOM 49 O LEU A 4 -11.106 2.255 1.218 1.00 0.00 O ATOM 50 CB LEU A 4 -11.972 3.581 -1.381 1.00 0.00 C ATOM 51 CG LEU A 4 -13.018 4.056 -2.390 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.393 4.118 -3.785 1.00 0.00 C ATOM 53 CD2 LEU A 4 -14.194 3.076 -2.403 1.00 0.00 C ATOM 0 H LEU A 4 -12.221 5.907 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.385 3.219 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.035 4.117 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.761 2.522 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.371 5.047 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.140 4.457 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.555 4.814 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.039 3.127 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.941 3.413 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.839 2.085 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.641 3.031 -1.410 1.00 0.00 H new ATOM 65 N PHE A 5 -10.844 4.376 1.731 1.00 0.00 N ATOM 66 CA PHE A 5 -9.792 4.064 2.737 1.00 0.00 C ATOM 67 C PHE A 5 -10.443 3.733 4.080 1.00 0.00 C ATOM 68 O PHE A 5 -9.797 3.741 5.109 1.00 0.00 O ATOM 69 CB PHE A 5 -8.867 5.273 2.899 1.00 0.00 C ATOM 70 CG PHE A 5 -7.717 5.173 1.924 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.789 4.303 0.829 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.575 5.951 2.111 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.715 4.219 -0.069 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.515 5.861 1.203 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.580 5.001 0.122 1.00 0.00 C ATOM 0 H PHE A 5 -11.064 5.367 1.631 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.212 3.205 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.424 6.194 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.487 5.318 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.670 3.698 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.509 6.622 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.769 3.545 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.635 6.470 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.754 4.937 -0.571 1.00 0.00 H new ATOM 85 N SER A 6 -11.719 3.448 4.078 1.00 0.00 N ATOM 86 CA SER A 6 -12.417 3.114 5.352 1.00 0.00 C ATOM 87 C SER A 6 -11.567 2.136 6.163 1.00 0.00 C ATOM 88 O SER A 6 -10.542 1.667 5.712 1.00 0.00 O ATOM 89 CB SER A 6 -13.768 2.474 5.037 1.00 0.00 C ATOM 90 OG SER A 6 -14.248 1.796 6.190 1.00 0.00 O ATOM 0 H SER A 6 -12.308 3.432 3.246 1.00 0.00 H new ATOM 0 HA SER A 6 -12.570 4.025 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.481 3.238 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.667 1.776 4.206 1.00 0.00 H new ATOM 0 HG SER A 6 -15.116 1.386 5.991 1.00 0.00 H new ATOM 96 N SER A 7 -11.985 1.817 7.356 1.00 0.00 N ATOM 97 CA SER A 7 -11.190 0.875 8.195 1.00 0.00 C ATOM 98 C SER A 7 -10.793 -0.343 7.351 1.00 0.00 C ATOM 99 O SER A 7 -11.608 -1.205 7.088 1.00 0.00 O ATOM 100 CB SER A 7 -12.040 0.412 9.379 1.00 0.00 C ATOM 101 OG SER A 7 -13.260 -0.136 8.897 1.00 0.00 O ATOM 0 H SER A 7 -12.841 2.167 7.787 1.00 0.00 H new ATOM 0 HA SER A 7 -10.294 1.377 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.498 -0.334 9.961 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.243 1.250 10.045 1.00 0.00 H new ATOM 0 HG SER A 7 -13.081 -0.687 8.107 1.00 0.00 H new ATOM 107 N PRO A 8 -9.545 -0.370 6.942 1.00 0.00 N ATOM 108 CA PRO A 8 -9.001 -1.462 6.114 1.00 0.00 C ATOM 109 C PRO A 8 -8.757 -2.707 6.966 1.00 0.00 C ATOM 110 O PRO A 8 -8.862 -2.675 8.176 1.00 0.00 O ATOM 111 CB PRO A 8 -7.685 -0.890 5.580 1.00 0.00 C ATOM 112 CG PRO A 8 -7.272 0.233 6.556 1.00 0.00 C ATOM 113 CD PRO A 8 -8.553 0.673 7.286 1.00 0.00 C ATOM 0 HA PRO A 8 -9.675 -1.772 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.918 -1.662 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.812 -0.500 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.525 -0.125 7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.826 1.069 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.396 0.734 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.881 1.659 6.956 1.00 0.00 H new ATOM 121 N ASP A 9 -8.422 -3.804 6.345 1.00 0.00 N ATOM 122 CA ASP A 9 -8.158 -5.044 7.123 1.00 0.00 C ATOM 123 C ASP A 9 -6.741 -4.976 7.693 1.00 0.00 C ATOM 124 O ASP A 9 -6.425 -5.611 8.679 1.00 0.00 O ATOM 125 CB ASP A 9 -8.282 -6.260 6.202 1.00 0.00 C ATOM 126 CG ASP A 9 -9.755 -6.501 5.869 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.578 -5.716 6.312 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.036 -7.466 5.178 1.00 0.00 O ATOM 0 H ASP A 9 -8.320 -3.894 5.334 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.880 -5.134 7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.714 -6.095 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.859 -7.140 6.686 1.00 0.00 H new ATOM 133 N HIS A 10 -5.886 -4.207 7.074 1.00 0.00 N ATOM 134 CA HIS A 10 -4.488 -4.088 7.567 1.00 0.00 C ATOM 135 C HIS A 10 -3.995 -2.658 7.335 1.00 0.00 C ATOM 136 O HIS A 10 -4.682 -1.854 6.743 1.00 0.00 O ATOM 137 CB HIS A 10 -3.606 -5.060 6.787 1.00 0.00 C ATOM 138 CG HIS A 10 -3.732 -6.436 7.378 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.668 -7.081 7.988 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.792 -7.304 7.457 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.108 -8.283 8.406 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.397 -8.469 8.107 1.00 0.00 N ATOM 0 H HIS A 10 -6.099 -3.654 6.244 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.445 -4.321 8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.902 -5.075 5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.567 -4.732 6.820 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.783 -7.112 7.073 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.494 -9.008 8.920 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.968 -9.289 8.311 1.00 0.00 H new ATOM 150 N THR A 11 -2.818 -2.326 7.797 1.00 0.00 N ATOM 151 CA THR A 11 -2.302 -0.945 7.588 1.00 0.00 C ATOM 152 C THR A 11 -0.787 -0.986 7.380 1.00 0.00 C ATOM 153 O THR A 11 -0.126 -1.943 7.731 1.00 0.00 O ATOM 154 CB THR A 11 -2.606 -0.106 8.821 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.997 -0.164 9.104 1.00 0.00 O ATOM 156 CG2 THR A 11 -2.188 1.346 8.575 1.00 0.00 C ATOM 0 H THR A 11 -2.195 -2.951 8.308 1.00 0.00 H new ATOM 0 HA THR A 11 -2.781 -0.511 6.710 1.00 0.00 H new ATOM 0 HB THR A 11 -2.048 -0.499 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.192 0.375 9.899 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.408 1.943 9.460 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.119 1.386 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.739 1.744 7.723 1.00 0.00 H new ATOM 164 N LEU A 12 -0.231 0.052 6.816 1.00 0.00 N ATOM 165 CA LEU A 12 1.243 0.083 6.593 1.00 0.00 C ATOM 166 C LEU A 12 1.752 1.516 6.672 1.00 0.00 C ATOM 167 O LEU A 12 1.266 2.388 5.991 1.00 0.00 O ATOM 168 CB LEU A 12 1.564 -0.457 5.197 1.00 0.00 C ATOM 169 CG LEU A 12 3.041 -0.170 4.832 1.00 0.00 C ATOM 170 CD1 LEU A 12 3.930 -0.481 6.036 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.448 -1.077 3.671 1.00 0.00 C ATOM 0 H LEU A 12 -0.734 0.881 6.500 1.00 0.00 H new ATOM 0 HA LEU A 12 1.722 -0.528 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.377 -1.530 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.905 0.004 4.462 1.00 0.00 H new ATOM 0 HG LEU A 12 3.154 0.877 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.971 -0.280 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.635 0.145 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.820 -1.531 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.487 -0.883 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.338 -2.120 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.810 -0.875 2.811 1.00 0.00 H new ATOM 183 N ASP A 13 2.754 1.755 7.459 1.00 0.00 N ATOM 184 CA ASP A 13 3.326 3.122 7.522 1.00 0.00 C ATOM 185 C ASP A 13 4.545 3.118 6.604 1.00 0.00 C ATOM 186 O ASP A 13 5.310 2.174 6.597 1.00 0.00 O ATOM 187 CB ASP A 13 3.750 3.448 8.957 1.00 0.00 C ATOM 188 CG ASP A 13 4.387 4.838 8.998 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.469 4.988 8.453 1.00 0.00 O ATOM 190 OD2 ASP A 13 3.785 5.728 9.574 1.00 0.00 O ATOM 0 H ASP A 13 3.203 1.065 8.062 1.00 0.00 H new ATOM 0 HA ASP A 13 2.598 3.872 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.885 3.413 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.458 2.701 9.317 1.00 0.00 H new ATOM 195 N ALA A 14 4.756 4.139 5.827 1.00 0.00 N ATOM 196 CA ALA A 14 5.944 4.112 4.937 1.00 0.00 C ATOM 197 C ALA A 14 6.512 5.529 4.865 1.00 0.00 C ATOM 198 O ALA A 14 7.271 5.923 3.976 1.00 0.00 O ATOM 199 CB ALA A 14 5.547 3.545 3.581 1.00 0.00 C ATOM 0 H ALA A 14 4.172 4.973 5.769 1.00 0.00 H new ATOM 0 HA ALA A 14 6.728 3.460 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.418 3.524 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.164 2.532 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.774 4.172 3.137 1.00 0.00 H new ATOM 205 N LEU A 15 6.155 6.273 5.863 1.00 0.00 N ATOM 206 CA LEU A 15 6.642 7.642 6.029 1.00 0.00 C ATOM 207 C LEU A 15 7.991 7.529 6.709 1.00 0.00 C ATOM 208 O LEU A 15 8.101 7.198 7.873 1.00 0.00 O ATOM 209 CB LEU A 15 5.677 8.407 6.904 1.00 0.00 C ATOM 210 CG LEU A 15 4.253 7.890 6.683 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.251 8.842 7.327 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.982 7.802 5.182 1.00 0.00 C ATOM 0 H LEU A 15 5.517 5.966 6.597 1.00 0.00 H new ATOM 0 HA LEU A 15 6.727 8.167 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.955 8.295 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.727 9.471 6.672 1.00 0.00 H new ATOM 0 HG LEU A 15 4.149 6.904 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.240 8.469 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.448 8.908 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.348 9.831 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.969 7.434 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.087 8.790 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.696 7.118 4.723 1.00 0.00 H new ATOM 224 N GLY A 16 9.012 7.733 5.961 1.00 0.00 N ATOM 225 CA GLY A 16 10.383 7.571 6.498 1.00 0.00 C ATOM 226 C GLY A 16 10.899 6.214 6.006 1.00 0.00 C ATOM 227 O GLY A 16 12.010 5.813 6.288 1.00 0.00 O ATOM 0 H GLY A 16 8.964 8.011 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.030 8.378 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.378 7.610 7.587 1.00 0.00 H new ATOM 231 N LEU A 17 10.083 5.516 5.246 1.00 0.00 N ATOM 232 CA LEU A 17 10.482 4.205 4.694 1.00 0.00 C ATOM 233 C LEU A 17 10.915 4.428 3.275 1.00 0.00 C ATOM 234 O LEU A 17 10.433 5.315 2.612 1.00 0.00 O ATOM 235 CB LEU A 17 9.287 3.261 4.653 1.00 0.00 C ATOM 236 CG LEU A 17 8.837 2.891 6.056 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.138 1.541 5.986 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.036 2.774 6.981 1.00 0.00 C ATOM 0 H LEU A 17 9.143 5.817 4.988 1.00 0.00 H new ATOM 0 HA LEU A 17 11.271 3.776 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.464 3.733 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.551 2.358 4.102 1.00 0.00 H new ATOM 0 HG LEU A 17 8.168 3.661 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.804 1.252 6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.277 1.611 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.831 0.792 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.698 2.508 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.709 2.002 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.562 3.728 7.017 1.00 0.00 H new ATOM 250 N ARG A 18 11.787 3.634 2.780 1.00 0.00 N ATOM 251 CA ARG A 18 12.189 3.842 1.377 1.00 0.00 C ATOM 252 C ARG A 18 12.425 2.505 0.714 1.00 0.00 C ATOM 253 O ARG A 18 12.848 1.557 1.338 1.00 0.00 O ATOM 254 CB ARG A 18 13.430 4.706 1.320 1.00 0.00 C ATOM 255 CG ARG A 18 14.428 4.265 2.396 1.00 0.00 C ATOM 256 CD ARG A 18 14.888 5.485 3.196 1.00 0.00 C ATOM 257 NE ARG A 18 14.400 5.371 4.600 1.00 0.00 N ATOM 258 CZ ARG A 18 15.116 4.740 5.490 1.00 0.00 C ATOM 259 NH1 ARG A 18 15.191 3.437 5.464 1.00 0.00 N ATOM 260 NH2 ARG A 18 15.756 5.412 6.408 1.00 0.00 N ATOM 0 H ARG A 18 12.238 2.860 3.268 1.00 0.00 H new ATOM 0 HA ARG A 18 11.393 4.357 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.889 4.632 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.162 5.752 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.964 3.535 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.285 3.776 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.976 5.553 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.505 6.398 2.740 1.00 0.00 H new ATOM 0 HE ARG A 18 13.507 5.786 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.690 2.912 4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.751 2.944 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.696 6.430 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.316 4.919 7.104 1.00 0.00 H new ATOM 274 N CYS A 19 12.157 2.421 -0.543 1.00 0.00 N ATOM 275 CA CYS A 19 12.359 1.124 -1.243 1.00 0.00 C ATOM 276 C CYS A 19 13.732 0.582 -0.874 1.00 0.00 C ATOM 277 O CYS A 19 14.679 1.334 -0.761 1.00 0.00 O ATOM 278 CB CYS A 19 12.273 1.343 -2.752 1.00 0.00 C ATOM 279 SG CYS A 19 12.895 -0.118 -3.626 1.00 0.00 S ATOM 0 H CYS A 19 11.808 3.185 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 19 11.590 0.411 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.240 1.538 -3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.854 2.221 -3.034 1.00 0.00 H new ATOM 0 HG CYS A 19 12.816 0.077 -4.909 1.00 0.00 H new ATOM 285 N PRO A 20 13.809 -0.711 -0.701 1.00 0.00 N ATOM 286 CA PRO A 20 12.665 -1.647 -0.834 1.00 0.00 C ATOM 287 C PRO A 20 11.910 -1.811 0.499 1.00 0.00 C ATOM 288 O PRO A 20 11.037 -2.636 0.617 1.00 0.00 O ATOM 289 CB PRO A 20 13.349 -2.973 -1.159 1.00 0.00 C ATOM 290 CG PRO A 20 14.787 -2.867 -0.590 1.00 0.00 C ATOM 291 CD PRO A 20 15.083 -1.372 -0.385 1.00 0.00 C ATOM 0 HA PRO A 20 11.940 -1.305 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.813 -3.808 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.368 -3.148 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.869 -3.409 0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.507 -3.312 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.398 -1.164 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.884 -1.030 -1.041 1.00 0.00 H new ATOM 299 N GLU A 21 12.297 -1.090 1.512 1.00 0.00 N ATOM 300 CA GLU A 21 11.665 -1.249 2.873 1.00 0.00 C ATOM 301 C GLU A 21 10.135 -1.160 2.881 1.00 0.00 C ATOM 302 O GLU A 21 9.486 -1.982 3.497 1.00 0.00 O ATOM 303 CB GLU A 21 12.231 -0.201 3.820 1.00 0.00 C ATOM 304 CG GLU A 21 13.658 -0.582 4.219 1.00 0.00 C ATOM 305 CD GLU A 21 13.827 -0.422 5.730 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.696 0.694 6.206 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.084 -1.418 6.387 1.00 0.00 O ATOM 0 H GLU A 21 13.033 -0.385 1.465 1.00 0.00 H new ATOM 0 HA GLU A 21 11.911 -2.260 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.227 0.777 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.604 -0.123 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.866 -1.611 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.374 0.050 3.694 1.00 0.00 H new ATOM 314 N PRO A 22 9.593 -0.181 2.231 1.00 0.00 N ATOM 315 CA PRO A 22 8.136 0.006 2.191 1.00 0.00 C ATOM 316 C PRO A 22 7.535 -1.116 1.374 1.00 0.00 C ATOM 317 O PRO A 22 6.795 -1.942 1.867 1.00 0.00 O ATOM 318 CB PRO A 22 7.968 1.369 1.530 1.00 0.00 C ATOM 319 CG PRO A 22 9.282 1.655 0.775 1.00 0.00 C ATOM 320 CD PRO A 22 10.358 0.795 1.453 1.00 0.00 C ATOM 0 HA PRO A 22 7.640 -0.020 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.120 1.366 0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.773 2.140 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.188 1.401 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.539 2.713 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.999 0.306 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.005 1.396 2.092 1.00 0.00 H new ATOM 328 N VAL A 23 7.889 -1.177 0.140 1.00 0.00 N ATOM 329 CA VAL A 23 7.395 -2.286 -0.703 1.00 0.00 C ATOM 330 C VAL A 23 7.631 -3.594 0.053 1.00 0.00 C ATOM 331 O VAL A 23 6.958 -4.585 -0.161 1.00 0.00 O ATOM 332 CB VAL A 23 8.210 -2.320 -1.987 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.876 -3.588 -2.775 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.889 -1.089 -2.833 1.00 0.00 C ATOM 0 H VAL A 23 8.500 -0.508 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 23 6.337 -2.154 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 23 9.272 -2.319 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.461 -3.610 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.114 -4.464 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.814 -3.595 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.474 -1.116 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.827 -1.084 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.136 -0.188 -2.272 1.00 0.00 H new ATOM 344 N MET A 24 8.602 -3.604 0.935 1.00 0.00 N ATOM 345 CA MET A 24 8.904 -4.850 1.699 1.00 0.00 C ATOM 346 C MET A 24 7.837 -5.076 2.765 1.00 0.00 C ATOM 347 O MET A 24 7.415 -6.189 3.009 1.00 0.00 O ATOM 348 CB MET A 24 10.267 -4.712 2.375 1.00 0.00 C ATOM 349 CG MET A 24 11.371 -5.061 1.375 1.00 0.00 C ATOM 350 SD MET A 24 11.938 -6.755 1.669 1.00 0.00 S ATOM 351 CE MET A 24 11.589 -7.399 0.014 1.00 0.00 C ATOM 0 H MET A 24 9.195 -2.804 1.156 1.00 0.00 H new ATOM 0 HA MET A 24 8.915 -5.697 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.402 -3.694 2.741 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.324 -5.372 3.241 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.997 -4.963 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.203 -4.365 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.868 -8.452 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.525 -7.296 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.163 -6.838 -0.723 1.00 0.00 H new ATOM 361 N MET A 25 7.395 -4.032 3.404 1.00 0.00 N ATOM 362 CA MET A 25 6.357 -4.193 4.450 1.00 0.00 C ATOM 363 C MET A 25 5.106 -4.772 3.808 1.00 0.00 C ATOM 364 O MET A 25 4.589 -5.772 4.242 1.00 0.00 O ATOM 365 CB MET A 25 6.043 -2.835 5.074 1.00 0.00 C ATOM 366 CG MET A 25 7.040 -2.545 6.196 1.00 0.00 C ATOM 367 SD MET A 25 6.142 -2.217 7.732 1.00 0.00 S ATOM 368 CE MET A 25 6.605 -3.738 8.595 1.00 0.00 C ATOM 0 H MET A 25 7.709 -3.075 3.246 1.00 0.00 H new ATOM 0 HA MET A 25 6.714 -4.864 5.232 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.096 -2.054 4.316 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.026 -2.830 5.467 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.711 -3.394 6.329 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.659 -1.687 5.934 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.151 -3.747 9.586 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.254 -4.600 8.027 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.690 -3.785 8.693 1.00 0.00 H new ATOM 378 N VAL A 26 4.622 -4.160 2.764 1.00 0.00 N ATOM 379 CA VAL A 26 3.407 -4.707 2.095 1.00 0.00 C ATOM 380 C VAL A 26 3.661 -6.162 1.724 1.00 0.00 C ATOM 381 O VAL A 26 2.751 -6.947 1.627 1.00 0.00 O ATOM 382 CB VAL A 26 3.113 -3.924 0.820 1.00 0.00 C ATOM 383 CG1 VAL A 26 1.979 -4.599 0.040 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.679 -2.509 1.174 1.00 0.00 C ATOM 0 H VAL A 26 5.009 -3.313 2.348 1.00 0.00 H new ATOM 0 HA VAL A 26 2.558 -4.626 2.774 1.00 0.00 H new ATOM 0 HB VAL A 26 4.017 -3.898 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.776 -4.033 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.273 -5.615 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.081 -4.629 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.470 -1.953 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.780 -2.547 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.476 -2.012 1.727 1.00 0.00 H new ATOM 394 N ARG A 27 4.891 -6.526 1.500 1.00 0.00 N ATOM 395 CA ARG A 27 5.185 -7.944 1.131 1.00 0.00 C ATOM 396 C ARG A 27 4.809 -8.855 2.287 1.00 0.00 C ATOM 397 O ARG A 27 4.024 -9.758 2.145 1.00 0.00 O ATOM 398 CB ARG A 27 6.675 -8.130 0.861 1.00 0.00 C ATOM 399 CG ARG A 27 6.884 -8.514 -0.601 1.00 0.00 C ATOM 400 CD ARG A 27 6.845 -10.037 -0.738 1.00 0.00 C ATOM 401 NE ARG A 27 7.986 -10.633 0.013 1.00 0.00 N ATOM 402 CZ ARG A 27 8.383 -11.846 -0.260 1.00 0.00 C ATOM 403 NH1 ARG A 27 7.536 -12.837 -0.208 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.628 -12.067 -0.582 1.00 0.00 N ATOM 0 H ARG A 27 5.703 -5.911 1.555 1.00 0.00 H new ATOM 0 HA ARG A 27 4.612 -8.189 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.214 -7.210 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.080 -8.904 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.110 -8.062 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.841 -8.130 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.901 -10.423 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.900 -10.320 -1.789 1.00 0.00 H new ATOM 0 HE ARG A 27 8.456 -10.093 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.563 -12.664 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.846 -13.785 -0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.290 -11.292 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.939 -13.015 -0.795 1.00 0.00 H new ATOM 418 N LYS A 28 5.388 -8.617 3.425 1.00 0.00 N ATOM 419 CA LYS A 28 5.106 -9.462 4.626 1.00 0.00 C ATOM 420 C LYS A 28 3.618 -9.399 4.941 1.00 0.00 C ATOM 421 O LYS A 28 2.976 -10.399 5.170 1.00 0.00 O ATOM 422 CB LYS A 28 5.904 -8.935 5.821 1.00 0.00 C ATOM 423 CG LYS A 28 7.375 -9.326 5.664 1.00 0.00 C ATOM 424 CD LYS A 28 7.723 -10.423 6.674 1.00 0.00 C ATOM 425 CE LYS A 28 8.741 -9.886 7.682 1.00 0.00 C ATOM 426 NZ LYS A 28 10.102 -10.377 7.323 1.00 0.00 N ATOM 0 H LYS A 28 6.056 -7.862 3.582 1.00 0.00 H new ATOM 0 HA LYS A 28 5.396 -10.493 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.810 -7.851 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.504 -9.345 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.562 -9.678 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.012 -8.456 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.823 -10.754 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.131 -11.292 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.725 -8.796 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.479 -10.212 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.794 -10.012 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.112 -11.417 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.350 -10.045 6.369 1.00 0.00 H new ATOM 440 N THR A 29 3.073 -8.223 4.927 1.00 0.00 N ATOM 441 CA THR A 29 1.623 -8.047 5.186 1.00 0.00 C ATOM 442 C THR A 29 0.871 -8.805 4.103 1.00 0.00 C ATOM 443 O THR A 29 -0.167 -9.392 4.325 1.00 0.00 O ATOM 444 CB THR A 29 1.341 -6.547 5.090 1.00 0.00 C ATOM 445 OG1 THR A 29 1.477 -5.954 6.373 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.055 -6.261 4.532 1.00 0.00 C ATOM 0 H THR A 29 3.581 -7.358 4.743 1.00 0.00 H new ATOM 0 HA THR A 29 1.316 -8.421 6.163 1.00 0.00 H new ATOM 0 HB THR A 29 2.066 -6.115 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.298 -4.993 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.213 -5.184 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.142 -6.688 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.806 -6.707 5.184 1.00 0.00 H new ATOM 454 N VAL A 30 1.428 -8.808 2.935 1.00 0.00 N ATOM 455 CA VAL A 30 0.811 -9.532 1.802 1.00 0.00 C ATOM 456 C VAL A 30 0.937 -11.021 2.105 1.00 0.00 C ATOM 457 O VAL A 30 0.121 -11.832 1.714 1.00 0.00 O ATOM 458 CB VAL A 30 1.596 -9.182 0.529 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.444 -10.286 -0.504 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.086 -7.868 -0.071 1.00 0.00 C ATOM 0 H VAL A 30 2.301 -8.330 2.713 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.236 -9.263 1.661 1.00 0.00 H new ATOM 0 HB VAL A 30 2.647 -9.074 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.005 -10.025 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.827 -11.221 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.390 -10.405 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.653 -7.635 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.030 -7.968 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.211 -7.064 0.654 1.00 0.00 H new ATOM 470 N ARG A 31 1.966 -11.365 2.824 1.00 0.00 N ATOM 471 CA ARG A 31 2.193 -12.780 3.205 1.00 0.00 C ATOM 472 C ARG A 31 1.208 -13.145 4.310 1.00 0.00 C ATOM 473 O ARG A 31 0.803 -14.282 4.446 1.00 0.00 O ATOM 474 CB ARG A 31 3.616 -12.941 3.744 1.00 0.00 C ATOM 475 CG ARG A 31 4.638 -12.649 2.638 1.00 0.00 C ATOM 476 CD ARG A 31 6.014 -13.173 3.056 1.00 0.00 C ATOM 477 NE ARG A 31 5.859 -14.474 3.764 1.00 0.00 N ATOM 478 CZ ARG A 31 6.237 -14.587 5.008 1.00 0.00 C ATOM 479 NH1 ARG A 31 5.657 -13.874 5.934 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.198 -15.412 5.326 1.00 0.00 N ATOM 0 H ARG A 31 2.670 -10.712 3.169 1.00 0.00 H new ATOM 0 HA ARG A 31 2.055 -13.425 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.774 -12.263 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.757 -13.954 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.326 -13.122 1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.688 -11.577 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.649 -13.298 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.508 -12.450 3.706 1.00 0.00 H new ATOM 0 HE ARG A 31 5.458 -15.276 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.908 -13.228 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.953 -13.963 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.653 -15.968 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.493 -15.500 6.298 1.00 0.00 H new ATOM 494 N ASN A 32 0.821 -12.183 5.106 1.00 0.00 N ATOM 495 CA ASN A 32 -0.137 -12.483 6.207 1.00 0.00 C ATOM 496 C ASN A 32 -1.530 -11.979 5.827 1.00 0.00 C ATOM 497 O ASN A 32 -2.453 -12.030 6.613 1.00 0.00 O ATOM 498 CB ASN A 32 0.330 -11.807 7.502 1.00 0.00 C ATOM 499 CG ASN A 32 0.267 -10.284 7.358 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.519 -9.762 6.594 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.071 -9.543 8.071 1.00 0.00 N ATOM 0 H ASN A 32 1.124 -11.211 5.042 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.178 -13.561 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.297 -12.127 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.349 -12.115 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.038 -8.527 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.732 -9.980 8.713 1.00 0.00 H new ATOM 508 N MET A 33 -1.692 -11.498 4.624 1.00 0.00 N ATOM 509 CA MET A 33 -3.032 -11.004 4.203 1.00 0.00 C ATOM 510 C MET A 33 -3.796 -12.121 3.497 1.00 0.00 C ATOM 511 O MET A 33 -3.310 -13.223 3.331 1.00 0.00 O ATOM 512 CB MET A 33 -2.883 -9.815 3.248 1.00 0.00 C ATOM 513 CG MET A 33 -2.877 -8.514 4.050 1.00 0.00 C ATOM 514 SD MET A 33 -3.626 -7.191 3.068 1.00 0.00 S ATOM 515 CE MET A 33 -5.260 -7.951 2.867 1.00 0.00 C ATOM 0 H MET A 33 -0.958 -11.426 3.919 1.00 0.00 H new ATOM 0 HA MET A 33 -3.580 -10.686 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.959 -9.907 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.702 -9.808 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.429 -8.646 4.981 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.855 -8.246 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.844 -7.373 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.144 -8.971 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.775 -7.966 3.828 1.00 0.00 H new ATOM 525 N GLN A 34 -4.995 -11.834 3.078 1.00 0.00 N ATOM 526 CA GLN A 34 -5.820 -12.854 2.377 1.00 0.00 C ATOM 527 C GLN A 34 -6.454 -12.203 1.149 1.00 0.00 C ATOM 528 O GLN A 34 -6.652 -11.005 1.124 1.00 0.00 O ATOM 529 CB GLN A 34 -6.918 -13.362 3.313 1.00 0.00 C ATOM 530 CG GLN A 34 -6.359 -14.480 4.195 1.00 0.00 C ATOM 531 CD GLN A 34 -7.052 -14.453 5.558 1.00 0.00 C ATOM 532 OE1 GLN A 34 -6.405 -14.534 6.583 1.00 0.00 O ATOM 533 NE2 GLN A 34 -8.352 -14.344 5.615 1.00 0.00 N ATOM 0 H GLN A 34 -5.444 -10.925 3.193 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.196 -13.695 2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.288 -12.546 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.764 -13.731 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.514 -15.447 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.283 -14.355 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.896 -14.276 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.823 -14.327 6.519 1.00 0.00 H new ATOM 542 N PRO A 35 -6.750 -13.004 0.161 1.00 0.00 N ATOM 543 CA PRO A 35 -7.357 -12.511 -1.082 1.00 0.00 C ATOM 544 C PRO A 35 -8.791 -12.065 -0.817 1.00 0.00 C ATOM 545 O PRO A 35 -9.615 -12.815 -0.334 1.00 0.00 O ATOM 546 CB PRO A 35 -7.287 -13.711 -2.027 1.00 0.00 C ATOM 547 CG PRO A 35 -7.138 -14.960 -1.129 1.00 0.00 C ATOM 548 CD PRO A 35 -6.538 -14.464 0.202 1.00 0.00 C ATOM 0 HA PRO A 35 -6.852 -11.642 -1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.186 -13.777 -2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.442 -13.620 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.103 -15.440 -0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.489 -15.700 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.037 -14.917 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.480 -14.713 0.281 1.00 0.00 H new ATOM 556 N GLY A 36 -9.076 -10.829 -1.102 1.00 0.00 N ATOM 557 CA GLY A 36 -10.437 -10.294 -0.842 1.00 0.00 C ATOM 558 C GLY A 36 -10.375 -9.424 0.413 1.00 0.00 C ATOM 559 O GLY A 36 -11.379 -9.113 1.022 1.00 0.00 O ATOM 0 H GLY A 36 -8.420 -10.161 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.785 -9.709 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.147 -11.110 -0.705 1.00 0.00 H new ATOM 563 N GLU A 37 -9.188 -9.031 0.805 1.00 0.00 N ATOM 564 CA GLU A 37 -9.038 -8.185 2.019 1.00 0.00 C ATOM 565 C GLU A 37 -8.500 -6.816 1.609 1.00 0.00 C ATOM 566 O GLU A 37 -8.333 -6.536 0.440 1.00 0.00 O ATOM 567 CB GLU A 37 -8.055 -8.855 2.978 1.00 0.00 C ATOM 568 CG GLU A 37 -8.815 -9.777 3.932 1.00 0.00 C ATOM 569 CD GLU A 37 -7.973 -10.022 5.185 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.918 -9.418 5.293 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.395 -10.809 6.016 1.00 0.00 O ATOM 0 H GLU A 37 -8.315 -9.263 0.331 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.003 -8.066 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.316 -9.426 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.511 -8.099 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.770 -9.328 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.037 -10.724 3.440 1.00 0.00 H new ATOM 578 N THR A 38 -8.225 -5.956 2.552 1.00 0.00 N ATOM 579 CA THR A 38 -7.703 -4.613 2.182 1.00 0.00 C ATOM 580 C THR A 38 -6.558 -4.209 3.111 1.00 0.00 C ATOM 581 O THR A 38 -6.441 -4.682 4.224 1.00 0.00 O ATOM 582 CB THR A 38 -8.830 -3.586 2.271 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.762 -3.989 3.265 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.529 -3.494 0.914 1.00 0.00 C ATOM 0 H THR A 38 -8.338 -6.124 3.552 1.00 0.00 H new ATOM 0 HA THR A 38 -7.324 -4.651 1.161 1.00 0.00 H new ATOM 0 HB THR A 38 -8.422 -2.611 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.484 -3.329 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.335 -2.763 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.810 -3.186 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.940 -4.468 0.650 1.00 0.00 H new ATOM 592 N LEU A 39 -5.709 -3.336 2.644 1.00 0.00 N ATOM 593 CA LEU A 39 -4.552 -2.880 3.464 1.00 0.00 C ATOM 594 C LEU A 39 -4.283 -1.403 3.154 1.00 0.00 C ATOM 595 O LEU A 39 -3.931 -1.050 2.047 1.00 0.00 O ATOM 596 CB LEU A 39 -3.325 -3.719 3.085 1.00 0.00 C ATOM 597 CG LEU A 39 -2.045 -3.069 3.620 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.742 -3.604 5.018 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.883 -3.406 2.684 1.00 0.00 C ATOM 0 H LEU A 39 -5.769 -2.914 1.717 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.763 -2.997 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.426 -4.726 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.265 -3.817 2.001 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.178 -1.988 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.831 -3.140 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.572 -3.370 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.607 -4.685 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.031 -2.946 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.754 -4.487 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.098 -3.025 1.686 1.00 0.00 H new ATOM 611 N LEU A 40 -4.429 -0.538 4.118 1.00 0.00 N ATOM 612 CA LEU A 40 -4.165 0.904 3.860 1.00 0.00 C ATOM 613 C LEU A 40 -2.677 1.158 4.080 1.00 0.00 C ATOM 614 O LEU A 40 -2.042 0.513 4.891 1.00 0.00 O ATOM 615 CB LEU A 40 -4.986 1.761 4.826 1.00 0.00 C ATOM 616 CG LEU A 40 -4.452 3.195 4.830 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.732 3.848 3.475 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.148 3.993 5.933 1.00 0.00 C ATOM 0 H LEU A 40 -4.718 -0.766 5.069 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.446 1.164 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.035 1.755 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.936 1.342 5.831 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.377 3.182 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.352 4.869 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.238 3.279 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.807 3.861 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.769 5.015 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.223 4.005 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.950 3.528 6.899 1.00 0.00 H new ATOM 630 N ILE A 41 -2.104 2.063 3.343 1.00 0.00 N ATOM 631 CA ILE A 41 -0.648 2.314 3.496 1.00 0.00 C ATOM 632 C ILE A 41 -0.340 3.804 3.381 1.00 0.00 C ATOM 633 O ILE A 41 -1.060 4.551 2.753 1.00 0.00 O ATOM 634 CB ILE A 41 0.081 1.580 2.373 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.585 0.212 2.157 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.558 1.411 2.746 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.373 -0.722 1.411 1.00 0.00 C ATOM 0 H ILE A 41 -2.577 2.637 2.645 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.325 1.963 4.476 1.00 0.00 H new ATOM 0 HB ILE A 41 0.023 2.154 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.858 -0.225 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.507 0.332 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.078 0.887 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.011 2.392 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.637 0.834 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.105 -1.690 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.624 -0.288 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.283 -0.854 1.997 1.00 0.00 H new ATOM 649 N ILE A 42 0.755 4.232 3.943 1.00 0.00 N ATOM 650 CA ILE A 42 1.143 5.646 3.817 1.00 0.00 C ATOM 651 C ILE A 42 2.583 5.650 3.380 1.00 0.00 C ATOM 652 O ILE A 42 3.270 4.655 3.478 1.00 0.00 O ATOM 653 CB ILE A 42 1.014 6.385 5.137 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.148 5.805 5.935 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.753 7.871 4.853 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.563 6.822 6.986 1.00 0.00 C ATOM 0 H ILE A 42 1.396 3.653 4.486 1.00 0.00 H new ATOM 0 HA ILE A 42 0.491 6.151 3.105 1.00 0.00 H new ATOM 0 HB ILE A 42 1.933 6.276 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.985 5.578 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.147 4.869 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.659 8.410 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.584 8.283 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.169 7.976 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.395 6.425 7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.279 7.026 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.871 7.746 6.497 1.00 0.00 H new ATOM 668 N ALA A 43 3.052 6.736 2.897 1.00 0.00 N ATOM 669 CA ALA A 43 4.457 6.771 2.450 1.00 0.00 C ATOM 670 C ALA A 43 4.890 8.208 2.289 1.00 0.00 C ATOM 671 O ALA A 43 4.270 8.974 1.591 1.00 0.00 O ATOM 672 CB ALA A 43 4.588 6.042 1.110 1.00 0.00 C ATOM 0 H ALA A 43 2.532 7.606 2.788 1.00 0.00 H new ATOM 0 HA ALA A 43 5.089 6.279 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.627 6.069 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.271 5.006 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.959 6.532 0.366 1.00 0.00 H new ATOM 678 N ASP A 44 5.975 8.571 2.871 1.00 0.00 N ATOM 679 CA ASP A 44 6.453 9.948 2.678 1.00 0.00 C ATOM 680 C ASP A 44 7.593 9.840 1.701 1.00 0.00 C ATOM 681 O ASP A 44 7.888 10.751 0.953 1.00 0.00 O ATOM 682 CB ASP A 44 6.885 10.597 4.003 1.00 0.00 C ATOM 683 CG ASP A 44 8.222 10.048 4.514 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.046 9.655 3.707 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.404 10.047 5.720 1.00 0.00 O ATOM 0 H ASP A 44 6.552 7.980 3.470 1.00 0.00 H new ATOM 0 HA ASP A 44 5.664 10.596 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.966 11.675 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.115 10.428 4.755 1.00 0.00 H new ATOM 690 N ASP A 45 8.207 8.688 1.665 1.00 0.00 N ATOM 691 CA ASP A 45 9.294 8.490 0.690 1.00 0.00 C ATOM 692 C ASP A 45 8.689 8.639 -0.715 1.00 0.00 C ATOM 693 O ASP A 45 7.570 8.227 -0.945 1.00 0.00 O ATOM 694 CB ASP A 45 9.856 7.104 0.912 1.00 0.00 C ATOM 695 CG ASP A 45 10.507 6.561 -0.363 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.655 6.893 -0.605 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.849 5.818 -1.069 1.00 0.00 O ATOM 0 H ASP A 45 8.000 7.890 2.265 1.00 0.00 H new ATOM 0 HA ASP A 45 10.099 9.216 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.591 7.131 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.059 6.432 1.231 1.00 0.00 H new ATOM 702 N PRO A 46 9.428 9.251 -1.601 1.00 0.00 N ATOM 703 CA PRO A 46 8.968 9.501 -2.981 1.00 0.00 C ATOM 704 C PRO A 46 9.062 8.226 -3.812 1.00 0.00 C ATOM 705 O PRO A 46 8.449 8.095 -4.852 1.00 0.00 O ATOM 706 CB PRO A 46 9.942 10.561 -3.496 1.00 0.00 C ATOM 707 CG PRO A 46 11.211 10.454 -2.617 1.00 0.00 C ATOM 708 CD PRO A 46 10.792 9.736 -1.321 1.00 0.00 C ATOM 0 HA PRO A 46 7.928 9.822 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.181 10.391 -4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.504 11.557 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.993 9.897 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.615 11.443 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.467 8.913 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.806 10.414 -0.468 1.00 0.00 H new ATOM 716 N ALA A 47 9.836 7.293 -3.354 1.00 0.00 N ATOM 717 CA ALA A 47 9.994 6.013 -4.106 1.00 0.00 C ATOM 718 C ALA A 47 8.933 5.006 -3.659 1.00 0.00 C ATOM 719 O ALA A 47 8.853 3.911 -4.178 1.00 0.00 O ATOM 720 CB ALA A 47 11.387 5.437 -3.848 1.00 0.00 C ATOM 0 H ALA A 47 10.371 7.355 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 47 9.871 6.209 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.502 4.503 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.142 6.149 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.511 5.249 -2.782 1.00 0.00 H new ATOM 726 N THR A 48 8.122 5.356 -2.702 1.00 0.00 N ATOM 727 CA THR A 48 7.075 4.404 -2.235 1.00 0.00 C ATOM 728 C THR A 48 5.821 4.568 -3.093 1.00 0.00 C ATOM 729 O THR A 48 5.184 3.605 -3.469 1.00 0.00 O ATOM 730 CB THR A 48 6.731 4.698 -0.774 1.00 0.00 C ATOM 731 OG1 THR A 48 6.687 6.102 -0.572 1.00 0.00 O ATOM 732 CG2 THR A 48 7.797 4.083 0.130 1.00 0.00 C ATOM 0 H THR A 48 8.137 6.257 -2.223 1.00 0.00 H new ATOM 0 HA THR A 48 7.448 3.383 -2.322 1.00 0.00 H new ATOM 0 HB THR A 48 5.759 4.268 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.600 6.459 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.554 4.291 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.829 3.005 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.769 4.514 -0.109 1.00 0.00 H new ATOM 740 N THR A 49 5.460 5.778 -3.409 1.00 0.00 N ATOM 741 CA THR A 49 4.246 5.986 -4.248 1.00 0.00 C ATOM 742 C THR A 49 4.413 5.202 -5.540 1.00 0.00 C ATOM 743 O THR A 49 3.458 4.747 -6.135 1.00 0.00 O ATOM 744 CB THR A 49 4.079 7.469 -4.607 1.00 0.00 C ATOM 745 OG1 THR A 49 4.748 7.733 -5.832 1.00 0.00 O ATOM 746 CG2 THR A 49 4.674 8.347 -3.513 1.00 0.00 C ATOM 0 H THR A 49 5.948 6.628 -3.126 1.00 0.00 H new ATOM 0 HA THR A 49 3.371 5.653 -3.690 1.00 0.00 H new ATOM 0 HB THR A 49 3.017 7.692 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.642 8.679 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.549 9.396 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.164 8.149 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.736 8.124 -3.405 1.00 0.00 H new ATOM 754 N ARG A 50 5.623 5.075 -5.998 1.00 0.00 N ATOM 755 CA ARG A 50 5.851 4.349 -7.282 1.00 0.00 C ATOM 756 C ARG A 50 6.235 2.885 -7.052 1.00 0.00 C ATOM 757 O ARG A 50 5.872 2.015 -7.818 1.00 0.00 O ATOM 758 CB ARG A 50 6.980 5.037 -8.048 1.00 0.00 C ATOM 759 CG ARG A 50 6.469 6.341 -8.660 1.00 0.00 C ATOM 760 CD ARG A 50 7.512 7.441 -8.460 1.00 0.00 C ATOM 761 NE ARG A 50 7.298 8.520 -9.465 1.00 0.00 N ATOM 762 CZ ARG A 50 7.594 8.311 -10.719 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.843 8.242 -11.092 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.641 8.173 -11.600 1.00 0.00 N ATOM 0 H ARG A 50 6.462 5.438 -5.545 1.00 0.00 H new ATOM 0 HA ARG A 50 4.920 4.371 -7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.815 5.242 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.354 4.379 -8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.270 6.203 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.527 6.629 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.437 7.849 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.515 7.028 -8.563 1.00 0.00 H new ATOM 0 HE ARG A 50 6.920 9.421 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.588 8.351 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.074 8.079 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.665 8.228 -11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.872 8.010 -12.580 1.00 0.00 H new ATOM 778 N ASP A 51 7.008 2.609 -6.046 1.00 0.00 N ATOM 779 CA ASP A 51 7.460 1.203 -5.822 1.00 0.00 C ATOM 780 C ASP A 51 6.468 0.395 -4.977 1.00 0.00 C ATOM 781 O ASP A 51 6.156 -0.732 -5.301 1.00 0.00 O ATOM 782 CB ASP A 51 8.811 1.231 -5.107 1.00 0.00 C ATOM 783 CG ASP A 51 9.849 1.908 -6.004 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.610 1.990 -7.197 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.867 2.333 -5.482 1.00 0.00 O ATOM 0 H ASP A 51 7.349 3.290 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 51 7.534 0.718 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.724 1.769 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.129 0.216 -4.867 1.00 0.00 H new ATOM 790 N ILE A 52 5.999 0.931 -3.890 1.00 0.00 N ATOM 791 CA ILE A 52 5.061 0.148 -3.027 1.00 0.00 C ATOM 792 C ILE A 52 3.900 -0.415 -3.844 1.00 0.00 C ATOM 793 O ILE A 52 3.609 -1.590 -3.753 1.00 0.00 O ATOM 794 CB ILE A 52 4.551 1.033 -1.879 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.484 0.868 -0.682 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.125 0.633 -1.468 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.843 1.495 0.556 1.00 0.00 C ATOM 0 H ILE A 52 6.219 1.870 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 52 5.600 -0.699 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 52 4.534 2.070 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.683 -0.189 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.443 1.343 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.788 1.274 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.455 0.746 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.119 -0.406 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.510 1.377 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.667 2.556 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.895 1.000 0.765 1.00 0.00 H new ATOM 809 N PRO A 53 3.269 0.416 -4.615 1.00 0.00 N ATOM 810 CA PRO A 53 2.144 -0.023 -5.438 1.00 0.00 C ATOM 811 C PRO A 53 2.646 -0.873 -6.582 1.00 0.00 C ATOM 812 O PRO A 53 2.171 -1.959 -6.801 1.00 0.00 O ATOM 813 CB PRO A 53 1.512 1.266 -5.922 1.00 0.00 C ATOM 814 CG PRO A 53 2.590 2.365 -5.785 1.00 0.00 C ATOM 815 CD PRO A 53 3.612 1.844 -4.759 1.00 0.00 C ATOM 0 HA PRO A 53 1.425 -0.641 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.184 1.172 -6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.631 1.512 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.068 2.562 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.148 3.304 -5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.635 1.976 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.531 2.373 -3.809 1.00 0.00 H new ATOM 823 N GLY A 54 3.620 -0.410 -7.300 1.00 0.00 N ATOM 824 CA GLY A 54 4.146 -1.245 -8.406 1.00 0.00 C ATOM 825 C GLY A 54 4.400 -2.643 -7.857 1.00 0.00 C ATOM 826 O GLY A 54 4.368 -3.621 -8.578 1.00 0.00 O ATOM 0 H GLY A 54 4.070 0.496 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.432 -1.282 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.067 -0.817 -8.802 1.00 0.00 H new ATOM 830 N PHE A 55 4.622 -2.751 -6.571 1.00 0.00 N ATOM 831 CA PHE A 55 4.843 -4.093 -5.978 1.00 0.00 C ATOM 832 C PHE A 55 3.493 -4.808 -5.858 1.00 0.00 C ATOM 833 O PHE A 55 3.327 -5.913 -6.337 1.00 0.00 O ATOM 834 CB PHE A 55 5.497 -3.945 -4.592 1.00 0.00 C ATOM 835 CG PHE A 55 5.054 -5.070 -3.676 1.00 0.00 C ATOM 836 CD1 PHE A 55 4.977 -6.385 -4.155 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.694 -4.791 -2.356 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.539 -7.412 -3.317 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.262 -5.823 -1.519 1.00 0.00 C ATOM 840 CZ PHE A 55 4.180 -7.131 -2.001 1.00 0.00 C ATOM 0 H PHE A 55 4.659 -1.971 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 55 5.507 -4.679 -6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.582 -3.955 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.226 -2.984 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.257 -6.604 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.749 -3.779 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.479 -8.424 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.991 -5.608 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.838 -7.925 -1.353 1.00 0.00 H new ATOM 850 N CYS A 56 2.533 -4.208 -5.211 1.00 0.00 N ATOM 851 CA CYS A 56 1.224 -4.893 -5.063 1.00 0.00 C ATOM 852 C CYS A 56 0.709 -5.326 -6.430 1.00 0.00 C ATOM 853 O CYS A 56 0.129 -6.374 -6.574 1.00 0.00 O ATOM 854 CB CYS A 56 0.233 -3.941 -4.412 1.00 0.00 C ATOM 855 SG CYS A 56 0.581 -3.867 -2.637 1.00 0.00 S ATOM 0 H CYS A 56 2.598 -3.284 -4.784 1.00 0.00 H new ATOM 0 HA CYS A 56 1.343 -5.777 -4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.315 -2.949 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.788 -4.283 -4.583 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.215 -4.677 -2.005 1.00 0.00 H new ATOM 861 N THR A 57 0.921 -4.534 -7.433 1.00 0.00 N ATOM 862 CA THR A 57 0.436 -4.918 -8.789 1.00 0.00 C ATOM 863 C THR A 57 1.213 -6.137 -9.290 1.00 0.00 C ATOM 864 O THR A 57 0.696 -6.961 -10.018 1.00 0.00 O ATOM 865 CB THR A 57 0.654 -3.753 -9.753 1.00 0.00 C ATOM 866 OG1 THR A 57 0.085 -2.572 -9.206 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.012 -4.074 -11.090 1.00 0.00 C ATOM 0 H THR A 57 1.407 -3.639 -7.379 1.00 0.00 H new ATOM 0 HA THR A 57 -0.625 -5.161 -8.736 1.00 0.00 H new ATOM 0 HB THR A 57 1.722 -3.599 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.226 -1.824 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.141 -3.245 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.427 -4.980 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.080 -4.226 -10.937 1.00 0.00 H new ATOM 875 N PHE A 58 2.458 -6.241 -8.924 1.00 0.00 N ATOM 876 CA PHE A 58 3.289 -7.389 -9.391 1.00 0.00 C ATOM 877 C PHE A 58 2.865 -8.697 -8.706 1.00 0.00 C ATOM 878 O PHE A 58 3.020 -9.766 -9.262 1.00 0.00 O ATOM 879 CB PHE A 58 4.759 -7.106 -9.067 1.00 0.00 C ATOM 880 CG PHE A 58 5.647 -7.904 -9.993 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.705 -9.298 -9.876 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.413 -7.250 -10.966 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.529 -10.038 -10.733 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.236 -7.991 -11.823 1.00 0.00 C ATOM 885 CZ PHE A 58 7.295 -9.384 -11.706 1.00 0.00 C ATOM 0 H PHE A 58 2.941 -5.578 -8.318 1.00 0.00 H new ATOM 0 HA PHE A 58 3.149 -7.503 -10.466 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.967 -6.042 -9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.970 -7.368 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.115 -9.802 -9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.369 -6.175 -11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.574 -11.113 -10.644 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.825 -7.487 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.931 -9.955 -12.366 1.00 0.00 H new ATOM 895 N MET A 59 2.351 -8.638 -7.506 1.00 0.00 N ATOM 896 CA MET A 59 1.956 -9.904 -6.815 1.00 0.00 C ATOM 897 C MET A 59 0.490 -10.262 -7.092 1.00 0.00 C ATOM 898 O MET A 59 -0.027 -11.214 -6.545 1.00 0.00 O ATOM 899 CB MET A 59 2.183 -9.768 -5.319 1.00 0.00 C ATOM 900 CG MET A 59 3.589 -10.264 -4.978 1.00 0.00 C ATOM 901 SD MET A 59 3.659 -10.740 -3.232 1.00 0.00 S ATOM 902 CE MET A 59 4.718 -12.193 -3.436 1.00 0.00 C ATOM 0 H MET A 59 2.188 -7.780 -6.978 1.00 0.00 H new ATOM 0 HA MET A 59 2.577 -10.709 -7.207 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.067 -8.728 -5.014 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.438 -10.345 -4.772 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.848 -11.115 -5.608 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.321 -9.482 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.895 -12.653 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.228 -12.911 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.670 -11.891 -3.873 1.00 0.00 H new ATOM 912 N GLU A 60 -0.168 -9.522 -7.945 1.00 0.00 N ATOM 913 CA GLU A 60 -1.598 -9.829 -8.283 1.00 0.00 C ATOM 914 C GLU A 60 -2.544 -9.180 -7.263 1.00 0.00 C ATOM 915 O GLU A 60 -3.674 -9.596 -7.099 1.00 0.00 O ATOM 916 CB GLU A 60 -1.811 -11.358 -8.336 1.00 0.00 C ATOM 917 CG GLU A 60 -2.445 -11.875 -7.036 1.00 0.00 C ATOM 918 CD GLU A 60 -1.997 -13.316 -6.784 1.00 0.00 C ATOM 919 OE1 GLU A 60 -0.972 -13.495 -6.149 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.689 -14.217 -7.231 1.00 0.00 O ATOM 0 H GLU A 60 0.222 -8.712 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.826 -9.413 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.451 -11.610 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.855 -11.856 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.152 -11.241 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.532 -11.828 -7.106 1.00 0.00 H new ATOM 927 N HIS A 61 -2.098 -8.159 -6.594 1.00 0.00 N ATOM 928 CA HIS A 61 -2.958 -7.468 -5.604 1.00 0.00 C ATOM 929 C HIS A 61 -3.594 -6.258 -6.288 1.00 0.00 C ATOM 930 O HIS A 61 -3.295 -5.960 -7.428 1.00 0.00 O ATOM 931 CB HIS A 61 -2.095 -7.006 -4.434 1.00 0.00 C ATOM 932 CG HIS A 61 -1.283 -8.165 -3.931 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.503 -9.461 -4.367 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.247 -8.241 -3.033 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.621 -10.255 -3.738 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.169 -9.563 -2.913 1.00 0.00 N ATOM 0 H HIS A 61 -1.161 -7.769 -6.693 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.735 -8.137 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.438 -6.196 -4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.724 -6.614 -3.635 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.207 -9.758 -5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.179 -7.403 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.558 -11.324 -3.882 1.00 0.00 H new ATOM 944 N GLU A 62 -4.482 -5.568 -5.630 1.00 0.00 N ATOM 945 CA GLU A 62 -5.128 -4.405 -6.290 1.00 0.00 C ATOM 946 C GLU A 62 -4.941 -3.131 -5.481 1.00 0.00 C ATOM 947 O GLU A 62 -5.021 -3.128 -4.271 1.00 0.00 O ATOM 948 CB GLU A 62 -6.623 -4.667 -6.413 1.00 0.00 C ATOM 949 CG GLU A 62 -6.923 -5.355 -7.745 1.00 0.00 C ATOM 950 CD GLU A 62 -7.941 -6.474 -7.522 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.057 -6.165 -7.135 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.590 -7.621 -7.743 1.00 0.00 O ATOM 0 H GLU A 62 -4.785 -5.757 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.665 -4.277 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.961 -5.292 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.172 -3.728 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.313 -4.631 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.006 -5.762 -8.171 1.00 0.00 H new ATOM 959 N LEU A 63 -4.772 -2.040 -6.159 1.00 0.00 N ATOM 960 CA LEU A 63 -4.664 -0.730 -5.467 1.00 0.00 C ATOM 961 C LEU A 63 -6.103 -0.260 -5.293 1.00 0.00 C ATOM 962 O LEU A 63 -6.741 0.162 -6.238 1.00 0.00 O ATOM 963 CB LEU A 63 -3.858 0.249 -6.343 1.00 0.00 C ATOM 964 CG LEU A 63 -4.309 1.699 -6.111 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.811 2.190 -4.750 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.722 2.586 -7.210 1.00 0.00 C ATOM 0 H LEU A 63 -4.703 -1.996 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.149 -0.794 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.796 0.155 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.984 -0.010 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.398 1.746 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.135 3.219 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.220 1.557 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.722 2.144 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.038 3.617 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.634 2.531 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.076 2.243 -8.182 1.00 0.00 H new ATOM 978 N VAL A 64 -6.654 -0.386 -4.120 1.00 0.00 N ATOM 979 CA VAL A 64 -8.058 -0.013 -3.941 1.00 0.00 C ATOM 980 C VAL A 64 -8.231 1.513 -3.990 1.00 0.00 C ATOM 981 O VAL A 64 -9.084 2.008 -4.700 1.00 0.00 O ATOM 982 CB VAL A 64 -8.513 -0.618 -2.622 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.902 -0.135 -2.301 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.557 -2.137 -2.758 1.00 0.00 C ATOM 0 H VAL A 64 -6.182 -0.733 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.679 -0.399 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.821 -0.324 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.229 -0.568 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.900 0.952 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.585 -0.438 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.883 -2.577 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.256 -2.411 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.563 -2.509 -3.008 1.00 0.00 H new ATOM 994 N ALA A 65 -7.440 2.280 -3.279 1.00 0.00 N ATOM 995 CA ALA A 65 -7.620 3.769 -3.367 1.00 0.00 C ATOM 996 C ALA A 65 -6.273 4.487 -3.212 1.00 0.00 C ATOM 997 O ALA A 65 -5.529 4.230 -2.318 1.00 0.00 O ATOM 998 CB ALA A 65 -8.568 4.228 -2.257 1.00 0.00 C ATOM 0 H ALA A 65 -6.698 1.956 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.037 4.015 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.702 5.308 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.533 3.736 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.145 3.968 -1.287 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.928 5.385 -4.076 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.623 6.058 -3.911 1.00 0.00 C ATOM 1006 C LYS A 66 -4.791 7.411 -3.246 1.00 0.00 C ATOM 1007 O LYS A 66 -5.858 7.991 -3.217 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.994 6.263 -5.266 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.380 5.111 -6.165 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.646 5.458 -6.953 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.309 5.553 -8.443 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.410 4.944 -9.241 1.00 0.00 N ATOM 0 H LYS A 66 -6.483 5.680 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.990 5.430 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.328 7.206 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.910 6.322 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.564 4.887 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.548 4.215 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.409 4.697 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.058 6.404 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.171 6.596 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.370 5.039 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.181 5.008 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.521 3.945 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.297 5.453 -9.053 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.719 7.914 -2.724 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.748 9.235 -2.061 1.00 0.00 C ATOM 1028 C GLU A 67 -2.489 10.021 -2.439 1.00 0.00 C ATOM 1029 O GLU A 67 -1.390 9.681 -2.049 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.793 9.029 -0.561 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.247 8.981 -0.087 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.679 10.374 0.376 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.581 11.296 -0.417 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.099 10.494 1.515 1.00 0.00 O ATOM 0 H GLU A 67 -2.807 7.457 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.627 9.794 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.284 8.102 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.263 9.838 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.893 8.638 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.351 8.266 0.729 1.00 0.00 H new ATOM 1041 N THR A 68 -2.645 11.070 -3.193 1.00 0.00 N ATOM 1042 CA THR A 68 -1.470 11.889 -3.602 1.00 0.00 C ATOM 1043 C THR A 68 -1.847 13.361 -3.470 1.00 0.00 C ATOM 1044 O THR A 68 -1.396 14.202 -4.221 1.00 0.00 O ATOM 1045 CB THR A 68 -1.110 11.577 -5.057 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.099 12.127 -5.917 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.047 10.061 -5.253 1.00 0.00 C ATOM 0 H THR A 68 -3.543 11.399 -3.547 1.00 0.00 H new ATOM 0 HA THR A 68 -0.611 11.662 -2.970 1.00 0.00 H new ATOM 0 HB THR A 68 -0.140 12.013 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.869 11.929 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.791 9.838 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.289 9.640 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.017 9.623 -5.017 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.684 13.673 -2.518 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.108 15.091 -2.331 1.00 0.00 C ATOM 1057 C ASP A 69 -2.033 15.863 -1.572 1.00 0.00 C ATOM 1058 O ASP A 69 -2.208 17.011 -1.214 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.410 15.126 -1.538 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.481 14.319 -2.274 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.118 13.540 -3.140 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.647 14.495 -1.960 1.00 0.00 O ATOM 0 H ASP A 69 -3.093 13.008 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.256 15.552 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.252 14.715 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.741 16.156 -1.409 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.929 15.238 -1.330 1.00 0.00 N ATOM 1068 CA GLY A 70 0.171 15.894 -0.604 1.00 0.00 C ATOM 1069 C GLY A 70 0.674 14.962 0.476 1.00 0.00 C ATOM 1070 O GLY A 70 -0.070 14.452 1.290 1.00 0.00 O ATOM 0 H GLY A 70 -0.740 14.276 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.979 16.144 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.174 16.829 -0.163 1.00 0.00 H new ATOM 1074 N LEU A 71 1.936 14.738 0.456 1.00 0.00 N ATOM 1075 CA LEU A 71 2.575 13.831 1.443 1.00 0.00 C ATOM 1076 C LEU A 71 1.900 13.962 2.817 1.00 0.00 C ATOM 1077 O LEU A 71 1.454 15.028 3.198 1.00 0.00 O ATOM 1078 CB LEU A 71 4.057 14.179 1.588 1.00 0.00 C ATOM 1079 CG LEU A 71 4.780 13.908 0.280 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.944 14.887 0.121 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.319 12.476 0.292 1.00 0.00 C ATOM 0 H LEU A 71 2.580 15.152 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 71 2.465 12.808 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.168 15.227 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.502 13.589 2.389 1.00 0.00 H new ATOM 0 HG LEU A 71 4.087 14.035 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.460 14.689 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.563 15.908 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.640 14.762 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.839 12.275 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.012 12.355 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.491 11.776 0.404 1.00 0.00 H new ATOM 1093 N PRO A 72 1.871 12.861 3.518 1.00 0.00 N ATOM 1094 CA PRO A 72 2.424 11.601 3.014 1.00 0.00 C ATOM 1095 C PRO A 72 1.401 10.948 2.088 1.00 0.00 C ATOM 1096 O PRO A 72 0.207 11.063 2.277 1.00 0.00 O ATOM 1097 CB PRO A 72 2.603 10.750 4.256 1.00 0.00 C ATOM 1098 CG PRO A 72 1.599 11.306 5.283 1.00 0.00 C ATOM 1099 CD PRO A 72 1.300 12.764 4.871 1.00 0.00 C ATOM 0 HA PRO A 72 3.353 11.730 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.406 9.699 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.624 10.813 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.685 10.712 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.014 11.266 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.230 12.970 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.762 13.477 5.554 1.00 0.00 H new ATOM 1107 N TYR A 73 1.863 10.259 1.105 1.00 0.00 N ATOM 1108 CA TYR A 73 0.939 9.579 0.161 1.00 0.00 C ATOM 1109 C TYR A 73 0.269 8.404 0.851 1.00 0.00 C ATOM 1110 O TYR A 73 0.772 7.884 1.820 1.00 0.00 O ATOM 1111 CB TYR A 73 1.706 8.984 -0.992 1.00 0.00 C ATOM 1112 CG TYR A 73 2.798 9.895 -1.443 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.517 11.010 -2.234 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.103 9.574 -1.112 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.562 11.819 -2.684 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.157 10.362 -1.567 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.890 11.495 -2.353 1.00 0.00 C ATOM 1118 OH TYR A 73 5.928 12.283 -2.809 1.00 0.00 O ATOM 0 H TYR A 73 2.855 10.130 0.904 1.00 0.00 H new ATOM 0 HA TYR A 73 0.218 10.322 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.129 8.025 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.026 8.788 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.496 11.246 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.305 8.709 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.351 12.691 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.175 10.103 -1.317 1.00 0.00 H new ATOM 0 HH TYR A 73 6.768 11.987 -2.399 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.822 7.929 0.327 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.450 6.746 0.930 1.00 0.00 C ATOM 1130 C ARG A 74 -2.050 5.930 -0.178 1.00 0.00 C ATOM 1131 O ARG A 74 -2.406 6.435 -1.209 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.512 7.153 1.930 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.833 7.452 3.251 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.609 8.536 4.001 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.796 8.123 5.419 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.847 9.027 6.359 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -2.002 10.020 6.354 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -3.745 8.938 7.302 1.00 0.00 N ATOM 0 H ARG A 74 -1.298 8.313 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.706 6.160 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.052 8.030 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.244 6.355 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.779 6.547 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.808 7.780 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.069 9.482 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.577 8.698 3.528 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.884 7.135 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.302 10.090 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.041 10.727 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.407 8.162 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.785 9.644 8.037 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.150 4.672 0.017 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.703 3.820 -1.046 1.00 0.00 C ATOM 1154 C TYR A 75 -3.365 2.618 -0.422 1.00 0.00 C ATOM 1155 O TYR A 75 -2.741 1.872 0.307 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.595 3.329 -1.959 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.477 4.331 -2.019 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.608 5.519 -2.737 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.708 4.031 -1.380 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.468 6.410 -2.818 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.791 4.917 -1.443 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.672 6.109 -2.169 1.00 0.00 C ATOM 1163 OH TYR A 75 2.741 6.976 -2.255 1.00 0.00 O ATOM 0 H TYR A 75 -1.873 4.186 0.870 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.421 4.403 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.215 2.373 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.991 3.157 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.540 5.752 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.801 3.108 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.370 7.327 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.714 4.682 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 75 3.497 6.615 -1.746 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.598 2.376 -0.717 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.206 1.195 -0.152 1.00 0.00 C ATOM 1175 C LEU A 76 -4.919 0.071 -1.125 1.00 0.00 C ATOM 1176 O LEU A 76 -4.778 0.313 -2.306 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.707 1.326 -0.044 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.246 0.026 0.519 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.994 -0.026 2.022 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.723 -0.052 0.222 1.00 0.00 C ATOM 0 H LEU A 76 -5.193 2.946 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.808 1.026 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.972 2.162 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.144 1.529 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.741 -0.824 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.383 -0.962 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.923 0.034 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.496 0.812 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.126 -0.983 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.233 0.792 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.879 -0.022 -0.856 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.833 -1.139 -0.689 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.560 -2.207 -1.662 1.00 0.00 C ATOM 1194 C ILE A 77 -5.306 -3.479 -1.278 1.00 0.00 C ATOM 1195 O ILE A 77 -4.964 -4.142 -0.320 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.061 -2.461 -1.664 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.343 -1.114 -1.829 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.698 -3.409 -2.810 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.912 -1.325 -2.325 1.00 0.00 C ATOM 0 H ILE A 77 -4.938 -1.432 0.282 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.898 -1.907 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.753 -2.927 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.890 -0.488 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.329 -0.584 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.623 -3.588 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.224 -4.355 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.989 -2.960 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.419 -0.359 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.363 -1.932 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.932 -1.835 -3.288 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.318 -3.842 -2.024 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.049 -5.090 -1.679 1.00 0.00 C ATOM 1213 C ARG A 78 -6.144 -6.274 -2.025 1.00 0.00 C ATOM 1214 O ARG A 78 -5.889 -6.556 -3.176 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.346 -5.180 -2.488 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.957 -6.575 -2.334 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.030 -6.783 -3.404 1.00 0.00 C ATOM 1218 NE ARG A 78 -9.634 -7.911 -4.294 1.00 0.00 N ATOM 1219 CZ ARG A 78 -10.486 -8.863 -4.560 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -11.427 -8.668 -5.443 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -10.397 -10.009 -3.943 1.00 0.00 N ATOM 0 H ARG A 78 -6.662 -3.337 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.303 -5.097 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.052 -4.424 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.145 -4.975 -3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.182 -7.336 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.392 -6.685 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.990 -6.996 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.157 -5.872 -3.989 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.697 -7.939 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.496 -7.772 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.093 -9.412 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.662 -10.161 -3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.063 -10.753 -4.151 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.654 -6.969 -1.033 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.763 -8.126 -1.302 1.00 0.00 C ATOM 1237 C LYS A 79 -5.599 -9.231 -1.908 1.00 0.00 C ATOM 1238 O LYS A 79 -6.413 -9.823 -1.238 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.142 -8.611 0.006 1.00 0.00 C ATOM 1240 CG LYS A 79 -2.643 -8.842 -0.193 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.424 -10.140 -0.973 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.446 -11.327 -0.008 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.203 -12.588 -0.765 1.00 0.00 N ATOM 0 H LYS A 79 -5.835 -6.782 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.964 -7.838 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.306 -7.875 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.623 -9.534 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.204 -8.003 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.142 -8.897 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.201 -10.258 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.470 -10.104 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.683 -11.199 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.408 -11.376 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.218 -13.395 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.946 -12.711 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.275 -12.539 -1.232 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.415 -9.495 -3.171 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.207 -10.560 -3.840 1.00 0.00 C ATOM 1259 C GLY A 80 -6.043 -10.430 -5.352 1.00 0.00 C ATOM 1260 O GLY A 80 -5.631 -9.406 -5.859 1.00 0.00 O ATOM 0 H GLY A 80 -4.745 -9.014 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.871 -11.543 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.259 -10.474 -3.567 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.370 -11.459 -6.071 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.243 -11.412 -7.555 1.00 0.00 C ATOM 1266 C GLY A 81 -7.283 -12.340 -8.185 1.00 0.00 C ATOM 1267 O GLY A 81 -8.238 -11.830 -8.749 1.00 0.00 O ATOM 1268 OXT GLY A 81 -7.106 -13.543 -8.094 1.00 0.00 O ATOM 0 H GLY A 81 -6.723 -12.339 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.387 -10.392 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.240 -11.716 -7.855 1.00 0.00 H new TER 1272 GLY A 81